 
data_aravaipaite 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'H2 Al F9 O Pb3' 
_chemical_formula_weight          837.57 
 
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'Pb'  'Pb'  -3.3944  10.1111 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Al'  'Al'   0.0645   0.0514 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'F'  'F'   0.0171   0.0103 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'O'  'O'   0.0106   0.0060 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'H'  'H'   0.0000   0.0000 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 
_symmetry_cell_setting            ? 
_symmetry_space_group_name_H-M    ? 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, -y, -z' 
 
_cell_length_a                    5.66371(12) 
_cell_length_b                    5.86587(12) 
_cell_length_c                    12.7041(9) 
_cell_angle_alpha                 98.725(7) 
_cell_angle_beta                  94.020(7) 
_cell_angle_gamma                 90.683(6) 
_cell_volume                      416.04(3) 
_cell_formula_units_Z             2 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     ? 
_cell_measurement_theta_min       ? 
_cell_measurement_theta_max       ? 
 
_exptl_crystal_description        ? 
_exptl_crystal_colour             ? 
_exptl_crystal_size_max           0.10 
_exptl_crystal_size_mid           0.05 
_exptl_crystal_size_min           0.01 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     6.686 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              700 
_exptl_absorpt_coefficient_mu     60.775 
_exptl_absorpt_correction_type    ? 
_exptl_absorpt_correction_T_min   0.0644 
_exptl_absorpt_correction_T_max   0.5816 
_exptl_absorpt_process_details    ? 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       293(2) 
_diffrn_radiation_wavelength      0.71075 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   ? 
_diffrn_measurement_method        ? 
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             14209 
_diffrn_reflns_av_R_equivalents   0.0648 
_diffrn_reflns_av_sigmaI/netI     0.0385 
_diffrn_reflns_limit_h_min        -7 
_diffrn_reflns_limit_h_max        7 
_diffrn_reflns_limit_k_min        -7 
_diffrn_reflns_limit_k_max        7 
_diffrn_reflns_limit_l_min        -16 
_diffrn_reflns_limit_l_max        16 
_diffrn_reflns_theta_min          3.51 
_diffrn_reflns_theta_max          27.47 
_reflns_number_total              1903 
_reflns_number_gt                 1695 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        ? 
_computing_cell_refinement        ? 
_computing_data_reduction         ? 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     ? 
_computing_publication_material   ? 
 
_refine_special_details 
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
; 
 
_refine_ls_structure_factor_coef  Fsqd  
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc  
_refine_ls_weighting_details 
 'calc w=1/[σ²(Fo²)+(0.0199P)²+1.6864P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     mixed 
_refine_ls_extinction_method      SHELXL 
_refine_ls_extinction_coef        0.00178(14) 
_refine_ls_extinction_expression 
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^' 
_refine_ls_number_reflns          1903 
_refine_ls_number_parameters      135 
_refine_ls_number_restraints      3 
_refine_ls_R_factor_all           0.0306 
_refine_ls_R_factor_gt            0.0263 
_refine_ls_wR_factor_ref          0.0581 
_refine_ls_wR_factor_gt           0.0561 
_refine_ls_goodness_of_fit_ref    1.058 
_refine_ls_restrained_S_all       1.058 
_refine_ls_shift/su_max           0.000 
_refine_ls_shift/su_mean          0.000 
 
loop_ 
 _atom_site_label 
 _atom_site_type_symbol 
 _atom_site_fract_x 
 _atom_site_fract_y 
 _atom_site_fract_z 
 _atom_site_U_iso_or_equiv 
 _atom_site_adp_type 
 _atom_site_occupancy 
 _atom_site_symmetry_multiplicity 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_assembly 
 _atom_site_disorder_group 
Pb1 Pb 0.30470(5) 0.11693(5) 0.36471(3) 0.01512(11) Uani 1 1 d . . . 
Pb2 Pb 0.76753(6) 0.04754(5) 0.11751(3) 0.02400(11) Uani 1 1 d . . . 
Pb3 Pb 0.27468(5) 0.51132(5) 0.11789(3) 0.01756(11) Uani 1 1 d . . . 
Al Al 0.7940(4) 0.6181(4) 0.3082(2) 0.0124(5) Uani 1 1 d . . . 
F1 F 0.0486(8) 0.7745(8) 0.2740(4) 0.0265(12) Uani 1 1 d . . . 
F2 F 0.7369(8) 0.5094(8) 0.1661(4) 0.0249(11) Uani 1 1 d . . . 
F3 F 0.8488(8) 0.7199(9) 0.4455(4) 0.0290(12) Uani 1 1 d . . . 
F4 F 0.5192(8) 0.4752(8) 0.3306(4) 0.0257(12) Uani 1 1 d . . . 
F5 F 0.6158(8) 0.8676(8) 0.2863(4) 0.0265(12) Uani 1 1 d . . . 
F6 F 0.9587(9) 0.3635(9) 0.3170(5) 0.0394(15) Uani 1 1 d . . . 
F7 F 0.4996(8) 0.2430(8) 0.9924(4) 0.0188(10) Uani 1 1 d . . . 
F8 F 0.0007(8) 0.2475(8) 0.9953(4) 0.0176(10) Uani 1 1 d . . . 
F9 F 0.2942(11) 0.1283(9) 0.1710(4) 0.0407(15) Uani 1 1 d . . . 
OW O 0.6621(9) 0.2257(9) 0.5128(5) 0.0200(13) Uani 1 1 d D . . 
H1 H 0.597(14) 0.338(13) 0.555(8) 0.050 Uiso 1 1 d D . . 
H2 H 0.814(6) 0.253(15) 0.509(8) 0.050 Uiso 1 1 d D . . 
 
 
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
 
loop_ 
 _geom_bond_atom_site_label_1 
 _geom_bond_atom_site_label_2 
 _geom_bond_distance 
 _geom_bond_site_symmetry_2 
 _geom_bond_publ_flag 
Pb1 F9 2.469(5) . ? 
Pb1 F5 2.470(5) 1_545 ? 
Pb1 F4 2.524(4) . ? 
Pb1 F1 2.542(5) 1_545 ? 
Pb1 F6 2.543(5) 1_455 ? 
Pb1 F3 2.665(5) 2_666 ? 
Pb1 OW 2.667(6) . ? 
Pb1 OW 2.723(6) 2_656 ? 
Pb1 F3 3.754(5) 1_445 ? 
Pb1 OW 3.930(5) 2_666 ? 
Pb1 F4 3.940(5) 1_545 ? 
Pb1 Al 4.039(2) 1_445 ? 
Pb2 F7 2.462(5) 2_656 ? 
Pb2 F8 2.517(5) 1_654 ? 
Pb2 F8 2.518(5) 2_656 ? 
Pb2 F7 2.530(5) 1_554 ? 
Pb2 F2 2.696(5) . ? 
Pb2 F5 2.715(5) 1_545 ? 
Pb2 F9 2.839(6) . ? 
Pb2 F9 3.028(6) 1_655 ? 
Pb2 F6 3.029(6) . ? 
Pb2 F1 3.104(6) 1_645 ? 
Pb2 F2 3.312(5) 1_545 ? 
Pb2 F9 3.644(6) 2_655 ? 
Pb3 F9 2.443(5) . ? 
Pb3 F8 2.470(4) 1_554 ? 
Pb3 F7 2.493(5) 1_554 ? 
Pb3 F7 2.548(5) 2_666 ? 
Pb3 F8 2.619(4) 2_566 ? 
Pb3 F2 2.647(5) . ? 
Pb3 F1 2.726(5) . ? 
Pb3 F4 2.987(5) . ? 
Pb3 F2 3.149(5) 1_455 ? 
Pb3 F5 3.263(5) . ? 
Pb3 F6 3.408(6) 1_455 ? 
Pb3 F9 3.579(5) 1_565 ? 
Al F3 1.760(6) . ? 
Al F6 1.784(5) . ? 
Al F1 1.813(5) 1_655 ? 
Al F4 1.819(5) . ? 
Al F2 1.826(6) . ? 
Al F5 1.832(5) . ? 
Al Pb2 3.747(2) 1_565 ? 
Al Pb3 3.762(2) 1_655 ? 
Al Pb1 4.039(2) 1_665 ? 
Al Pb1 4.073(2) 1_565 ? 
F1 Al 1.813(5) 1_455 ? 
F1 Pb1 2.542(5) 1_565 ? 
F1 Pb2 3.104(6) 1_465 ? 
F2 Pb3 3.149(5) 1_655 ? 
F2 Pb2 3.312(5) 1_565 ? 
F2 Pb3 3.587(5) 2_665 ? 
F3 Pb1 2.665(5) 2_666 ? 
F3 Pb1 3.754(5) 1_665 ? 
F3 Pb1 4.053(5) 1_565 ? 
F4 Pb1 3.940(5) 1_565 ? 
F5 Pb1 2.470(5) 1_565 ? 
F5 Pb2 2.715(5) 1_565 ? 
F6 Pb1 2.543(5) 1_655 ? 
F6 Pb3 3.408(6) 1_655 ? 
F7 Pb2 2.462(5) 2_656 ? 
F7 Pb3 2.493(5) 1_556 ? 
F7 Pb2 2.530(5) 1_556 ? 
F7 Pb3 2.548(5) 2_666 ? 
F8 Pb3 2.470(4) 1_556 ? 
F8 Pb2 2.517(5) 1_456 ? 
F8 Pb2 2.518(5) 2_656 ? 
F8 Pb3 2.619(4) 2_566 ? 
F9 Pb2 3.028(6) 1_455 ? 
F9 Pb3 3.579(5) 1_545 ? 
F9 Pb2 3.644(6) 2_655 ? 
OW Pb1 2.723(6) 2_656 ? 
OW Pb1 3.930(5) 2_666 ? 
OW H1 0.88(3) . ? 
OW H2 0.88(3) . ? 
 
loop_ 
 _geom_angle_atom_site_label_1 
 _geom_angle_atom_site_label_2 
 _geom_angle_atom_site_label_3 
 _geom_angle 
 _geom_angle_site_symmetry_1 
 _geom_angle_site_symmetry_3 
 _geom_angle_publ_flag 
F9 Pb1 F5 70.74(19) . 1_545 ? 
F9 Pb1 F4 69.99(17) . . ? 
F5 Pb1 F4 91.51(15) 1_545 . ? 
F9 Pb1 F1 73.39(17) . 1_545 ? 
F5 Pb1 F1 80.56(16) 1_545 1_545 ? 
F4 Pb1 F1 143.10(17) . 1_545 ? 
F9 Pb1 F6 72.3(2) . 1_455 ? 
F5 Pb1 F6 142.8(2) 1_545 1_455 ? 
F4 Pb1 F6 78.95(17) . 1_455 ? 
F1 Pb1 F6 85.91(17) 1_545 1_455 ? 
F9 Pb1 F3 148.77(18) . 2_666 ? 
F5 Pb1 F3 140.09(17) 1_545 2_666 ? 
F4 Pb1 F3 98.72(16) . 2_666 ? 
F1 Pb1 F3 110.46(16) 1_545 2_666 ? 
F6 Pb1 F3 77.06(18) 1_455 2_666 ? 
F9 Pb1 OW 128.86(19) . . ? 
F5 Pb1 OW 79.47(18) 1_545 . ? 
F4 Pb1 OW 70.30(17) . . ? 
F1 Pb1 OW 141.23(17) 1_545 . ? 
F6 Pb1 OW 128.40(18) 1_455 . ? 
F3 Pb1 OW 68.23(16) 2_666 . ? 
F9 Pb1 OW 134.42(17) . 2_656 ? 
F5 Pb1 OW 76.00(17) 1_545 2_656 ? 
F4 Pb1 OW 141.80(16) . 2_656 ? 
F1 Pb1 OW 71.14(17) 1_545 2_656 ? 
F6 Pb1 OW 131.34(18) 1_455 2_656 ? 
F3 Pb1 OW 72.22(17) 2_666 2_656 ? 
OW Pb1 OW 71.95(18) . 2_656 ? 
F9 Pb1 F3 114.53(16) . 1_445 ? 
F5 Pb1 F3 106.24(13) 1_545 1_445 ? 
F4 Pb1 F3 162.23(14) . 1_445 ? 
F1 Pb1 F3 43.34(14) 1_545 1_445 ? 
F6 Pb1 F3 86.09(15) 1_455 1_445 ? 
F3 Pb1 F3 68.31(16) 2_666 1_445 ? 
OW Pb1 F3 113.21(15) . 1_445 ? 
OW Pb1 F3 47.81(14) 2_656 1_445 ? 
F9 Pb1 OW 102.62(16) . 2_666 ? 
F5 Pb1 OW 129.59(14) 1_545 2_666 ? 
F4 Pb1 OW 43.23(15) . 2_666 ? 
F1 Pb1 OW 147.44(14) 1_545 2_666 ? 
F6 Pb1 OW 62.68(16) 1_455 2_666 ? 
F3 Pb1 OW 56.73(14) 2_666 2_666 ? 
OW Pb1 OW 66.51(17) . 2_666 ? 
OW Pb1 OW 122.6(2) 2_656 2_666 ? 
F3 Pb1 OW 120.67(11) 1_445 2_666 ? 
F9 Pb1 F4 92.67(15) . 1_545 ? 
F5 Pb1 F4 38.17(13) 1_545 1_545 ? 
F4 Pb1 F4 129.01(16) . 1_545 ? 
F1 Pb1 F4 56.50(14) 1_545 1_545 ? 
F6 Pb1 F4 142.34(15) 1_455 1_545 ? 
F3 Pb1 F4 115.68(14) 2_666 1_545 ? 
OW Pb1 F4 88.14(14) . 1_545 ? 
OW Pb1 F4 43.46(14) 2_656 1_545 ? 
F3 Pb1 F4 68.71(10) 1_445 1_545 ? 
OW Pb1 F4 154.64(11) 2_666 1_545 ? 
F9 Pb1 Al 89.10(14) . 1_445 ? 
F5 Pb1 Al 94.63(12) 1_545 1_445 ? 
F4 Pb1 Al 154.85(12) . 1_445 ? 
F1 Pb1 Al 18.35(12) 1_545 1_445 ? 
F6 Pb1 Al 81.49(13) 1_455 1_445 ? 
F3 Pb1 Al 92.10(11) 2_666 1_445 ? 
OW Pb1 Al 134.82(13) . 1_445 ? 
OW Pb1 Al 63.24(12) 2_656 1_445 ? 
F3 Pb1 Al 25.78(9) 1_445 1_445 ? 
OW Pb1 Al 135.74(9) 2_666 1_445 ? 
F4 Pb1 Al 63.52(7) 1_545 1_445 ? 
F7 Pb2 F8 108.55(16) 2_656 1_654 ? 
F7 Pb2 F8 69.22(15) 2_656 2_656 ? 
F8 Pb2 F8 71.02(16) 1_654 2_656 ? 
F7 Pb2 F7 70.63(16) 2_656 1_554 ? 
F8 Pb2 F7 68.37(15) 1_654 1_554 ? 
F8 Pb2 F7 107.55(16) 2_656 1_554 ? 
F7 Pb2 F2 131.39(14) 2_656 . ? 
F8 Pb2 F2 69.26(15) 1_654 . ? 
F8 Pb2 F2 139.61(14) 2_656 . ? 
F7 Pb2 F2 63.62(15) 1_554 . ? 
F7 Pb2 F5 85.34(15) 2_656 1_545 ? 
F8 Pb2 F5 164.82(16) 1_654 1_545 ? 
F8 Pb2 F5 109.90(14) 2_656 1_545 ? 
F7 Pb2 F5 123.75(15) 1_554 1_545 ? 
F2 Pb2 F5 106.51(15) . 1_545 ? 
F7 Pb2 F9 70.44(15) 2_656 . ? 
F8 Pb2 F9 127.73(15) 1_654 . ? 
F8 Pb2 F9 139.38(15) 2_656 . ? 
F7 Pb2 F9 62.23(15) 1_554 . ? 
F2 Pb2 F9 74.42(15) . . ? 
F5 Pb2 F9 61.92(14) 1_545 . ? 
F7 Pb2 F9 138.22(15) 2_656 1_655 ? 
F8 Pb2 F9 61.42(14) 1_654 1_655 ? 
F8 Pb2 F9 69.30(14) 2_656 1_655 ? 
F7 Pb2 F9 127.79(14) 1_554 1_655 ? 
F2 Pb2 F9 85.46(14) . 1_655 ? 
F5 Pb2 F9 104.21(15) 1_545 1_655 ? 
F9 Pb2 F9 149.7(2) . 1_655 ? 
F7 Pb2 F6 156.85(16) 2_656 . ? 
F8 Pb2 F6 93.80(15) 1_654 . ? 
F8 Pb2 F6 126.00(14) 2_656 . ? 
F7 Pb2 F6 114.13(14) 1_554 . ? 
F2 Pb2 F6 51.03(14) . . ? 
F5 Pb2 F6 73.23(16) 1_545 . ? 
F9 Pb2 F6 91.33(15) . . ? 
F9 Pb2 F6 58.42(15) 1_655 . ? 
F7 Pb2 F1 104.47(14) 2_656 1_645 ? 
F8 Pb2 F1 117.45(13) 1_654 1_645 ? 
F8 Pb2 F1 73.49(14) 2_656 1_645 ? 
F7 Pb2 F1 173.75(12) 1_554 1_645 ? 
F2 Pb2 F1 119.76(14) . 1_645 ? 
F5 Pb2 F1 50.96(13) 1_545 1_645 ? 
F9 Pb2 F1 112.82(14) . 1_645 ? 
F9 Pb2 F1 58.45(13) 1_655 1_645 ? 
F6 Pb2 F1 68.78(13) . 1_645 ? 
F7 Pb2 F2 58.51(14) 2_656 1_545 ? 
F8 Pb2 F2 133.78(14) 1_654 1_545 ? 
F8 Pb2 F2 62.90(14) 2_656 1_545 ? 
F7 Pb2 F2 128.48(13) 1_554 1_545 ? 
F2 Pb2 F2 154.88(19) . 1_545 ? 
F5 Pb2 F2 48.51(13) 1_545 1_545 ? 
F9 Pb2 F2 91.87(13) . 1_545 ? 
F9 Pb2 F2 97.57(13) 1_655 1_545 ? 
F6 Pb2 F2 109.85(13) . 1_545 ? 
F1 Pb2 F2 46.16(12) 1_645 1_545 ? 
F7 Pb2 F9 49.83(15) 2_656 2_655 ? 
F8 Pb2 F9 58.82(14) 1_654 2_655 ? 
F8 Pb2 F9 51.56(14) 2_656 2_655 ? 
F7 Pb2 F9 56.26(14) 1_554 2_655 ? 
F2 Pb2 F9 110.33(14) . 2_655 ? 
F5 Pb2 F9 134.23(14) 1_545 2_655 ? 
F9 Pb2 F9 103.26(13) . 2_655 ? 
F9 Pb2 F9 104.85(12) 1_655 2_655 ? 
F6 Pb2 F9 152.50(14) . 2_655 ? 
F1 Pb2 F9 123.84(13) 1_645 2_655 ? 
F2 Pb2 F9 93.08(12) 1_545 2_655 ? 
F9 Pb3 F8 71.36(17) . 1_554 ? 
F9 Pb3 F7 68.75(18) . 1_554 ? 
F8 Pb3 F7 69.50(15) 1_554 1_554 ? 
F9 Pb3 F7 138.78(18) . 2_666 ? 
F8 Pb3 F7 108.38(16) 1_554 2_666 ? 
F7 Pb3 F7 72.80(16) 1_554 2_666 ? 
F9 Pb3 F8 140.18(17) . 2_566 ? 
F8 Pb3 F8 70.70(16) 1_554 2_566 ? 
F7 Pb3 F8 108.00(16) 1_554 2_566 ? 
F7 Pb3 F8 66.56(14) 2_666 2_566 ? 
F9 Pb3 F2 82.18(18) . . ? 
F8 Pb3 F2 132.98(15) 1_554 . ? 
F7 Pb3 F2 64.83(15) 1_554 . ? 
F7 Pb3 F2 68.30(15) 2_666 . ? 
F8 Pb3 F2 134.14(14) 2_566 . ? 
F9 Pb3 F1 105.19(18) . . ? 
F8 Pb3 F1 112.53(15) 1_554 . ? 
F7 Pb3 F1 172.98(16) 1_554 . ? 
F7 Pb3 F1 111.99(15) 2_666 . ? 
F8 Pb3 F1 78.88(15) 2_566 . ? 
F2 Pb3 F1 111.56(15) . . ? 
F9 Pb3 F4 62.72(16) . . ? 
F8 Pb3 F4 132.44(14) 1_554 . ? 
F7 Pb3 F4 103.01(15) 1_554 . ? 
F7 Pb3 F4 113.88(13) 2_666 . ? 
F8 Pb3 F4 147.06(14) 2_566 . ? 
F2 Pb3 F4 52.99(14) . . ? 
F1 Pb3 F4 70.54(15) . . ? 
F9 Pb3 F2 87.25(17) . 1_455 ? 
F8 Pb3 F2 62.35(14) 1_554 1_455 ? 
F7 Pb3 F2 130.97(14) 1_554 1_455 ? 
F7 Pb3 F2 130.45(13) 2_666 1_455 ? 
F8 Pb3 F2 64.65(14) 2_566 1_455 ? 
F2 Pb3 F2 155.4(2) . 1_455 ? 
F1 Pb3 F2 50.23(13) . 1_455 ? 
F4 Pb3 F2 102.44(13) . 1_455 ? 
F9 Pb3 F5 108.91(16) . . ? 
F8 Pb3 F5 177.33(13) 1_554 . ? 
F7 Pb3 F5 113.13(13) 1_554 . ? 
F7 Pb3 F5 73.25(14) 2_666 . ? 
F8 Pb3 F5 108.43(13) 2_566 . ? 
F2 Pb3 F5 49.46(13) . . ? 
F1 Pb3 F5 64.81(13) . . ? 
F4 Pb3 F5 47.18(12) . . ? 
F2 Pb3 F5 114.98(12) 1_455 . ? 
F9 Pb3 F6 57.90(16) . 1_455 ? 
F8 Pb3 F6 85.92(15) 1_554 1_455 ? 
F7 Pb3 F6 126.06(14) 1_554 1_455 ? 
F7 Pb3 F6 160.30(15) 2_666 1_455 ? 
F8 Pb3 F6 107.58(13) 2_566 1_455 ? 
F2 Pb3 F6 112.15(14) . 1_455 ? 
F1 Pb3 F6 48.68(13) . 1_455 ? 
F4 Pb3 F6 60.06(13) . 1_455 ? 
F2 Pb3 F6 44.31(13) 1_455 1_455 ? 
F5 Pb3 F6 92.00(13) . 1_455 ? 
F9 Pb3 F9 153.4(2) . 1_565 ? 
F8 Pb3 F9 129.78(14) 1_554 1_565 ? 
F7 Pb3 F9 129.67(14) 1_554 1_565 ? 
F7 Pb3 F9 57.28(14) 2_666 1_565 ? 
F8 Pb3 F9 59.38(13) 2_566 1_565 ? 
F2 Pb3 F9 89.48(15) . 1_565 ? 
F1 Pb3 F9 54.72(14) . 1_565 ? 
F4 Pb3 F9 92.14(13) . 1_565 ? 
F2 Pb3 F9 90.15(14) 1_455 1_565 ? 
F5 Pb3 F9 49.14(12) . 1_565 ? 
F6 Pb3 F9 103.21(13) 1_455 1_565 ? 
F3 Al F6 92.5(3) . . ? 
F3 Al F1 92.6(3) . 1_655 ? 
F6 Al F1 92.7(3) . 1_655 ? 
F3 Al F4 91.7(3) . . ? 
F6 Al F4 92.0(3) . . ? 
F1 Al F4 173.5(3) 1_655 . ? 
F3 Al F2 179.4(3) . . ? 
F6 Al F2 87.0(3) . . ? 
F1 Al F2 87.8(2) 1_655 . ? 
F4 Al F2 88.0(2) . . ? 
F3 Al F5 92.8(3) . . ? 
F6 Al F5 174.6(3) . . ? 
F1 Al F5 87.8(2) 1_655 . ? 
F4 Al F5 87.0(2) . . ? 
F2 Al F5 87.7(3) . . ? 
F3 Al Pb3 136.65(18) . . ? 
F6 Al Pb3 112.3(2) . . ? 
F1 Al Pb3 119.6(2) 1_655 . ? 
F4 Al Pb3 54.27(17) . . ? 
F2 Al Pb3 43.37(16) . . ? 
F5 Al Pb3 62.95(18) . . ? 
F3 Al Pb2 118.5(2) . 1_565 ? 
F6 Al Pb2 133.9(2) . 1_565 ? 
F1 Al Pb2 55.52(19) 1_655 1_565 ? 
F4 Al Pb2 118.01(18) . 1_565 ? 
F2 Al Pb2 62.08(17) . 1_565 ? 
F5 Al Pb2 43.09(17) . 1_565 ? 
Pb3 Al Pb2 68.73(4) . 1_565 ? 
F3 Al Pb3 123.52(18) . 1_655 ? 
F6 Al Pb3 64.8(2) . 1_655 ? 
F1 Al Pb3 42.80(17) 1_655 1_655 ? 
F4 Al Pb3 136.7(2) . 1_655 ? 
F2 Al Pb3 56.55(16) . 1_655 ? 
F5 Al Pb3 112.65(18) . 1_655 ? 
Pb3 Al Pb3 99.49(6) . 1_655 ? 
Pb2 Al Pb3 69.59(4) 1_565 1_655 ? 
F3 Al Pb2 139.1(2) . . ? 
F6 Al Pb2 51.0(2) . . ? 
F1 Al Pb2 105.24(18) 1_655 . ? 
F4 Al Pb2 74.47(18) . . ? 
F2 Al Pb2 40.28(16) . . ? 
F5 Al Pb2 123.8(2) . . ? 
Pb3 Al Pb2 63.22(4) . . ? 
Pb2 Al Pb2 101.69(6) 1_565 . ? 
Pb3 Al Pb2 62.50(4) 1_655 . ? 
F3 Al Pb1 68.04(18) . 1_665 ? 
F6 Al Pb1 102.2(2) . 1_665 ? 
F1 Al Pb1 26.20(17) 1_655 1_665 ? 
F4 Al Pb1 155.4(2) . 1_665 ? 
F2 Al Pb1 112.41(17) . 1_665 ? 
F5 Al Pb1 80.51(17) . 1_665 ? 
Pb3 Al Pb1 133.51(7) . 1_665 ? 
Pb2 Al Pb1 64.92(4) 1_565 1_665 ? 
Pb3 Al Pb1 67.86(4) 1_655 1_665 ? 
Pb2 Al Pb1 129.99(6) . 1_665 ? 
F3 Al Pb1 76.84(18) . 1_565 ? 
F6 Al Pb1 160.9(2) . 1_565 ? 
F1 Al Pb1 103.39(18) 1_655 1_565 ? 
F4 Al Pb1 72.81(17) . 1_565 ? 
F2 Al Pb1 103.54(18) . 1_565 ? 
F5 Al Pb1 21.92(17) . 1_565 ? 
Pb3 Al Pb1 68.42(4) . 1_565 ? 
Pb2 Al Pb1 64.91(4) 1_565 1_565 ? 
Pb3 Al Pb1 134.27(6) 1_655 1_565 ? 
Pb2 Al Pb1 131.23(6) . 1_565 ? 
Pb1 Al Pb1 88.56(4) 1_665 1_565 ? 
Al F1 Pb1 135.4(3) 1_455 1_565 ? 
Al F1 Pb3 110.3(2) 1_455 . ? 
Pb1 F1 Pb3 111.70(16) 1_565 . ? 
Al F1 Pb2 95.7(2) 1_455 1_465 ? 
Pb1 F1 Pb2 95.20(15) 1_565 1_465 ? 
Pb3 F1 Pb2 94.39(16) . 1_465 ? 
Al F2 Pb3 108.4(2) . . ? 
Al F2 Pb2 113.8(2) . . ? 
Pb3 F2 Pb2 94.40(15) . . ? 
Al F2 Pb3 94.52(19) . 1_655 ? 
Pb3 F2 Pb3 155.4(2) . 1_655 ? 
Pb2 F2 Pb3 84.17(13) . 1_655 ? 
Al F2 Pb2 88.77(19) . 1_565 ? 
Pb3 F2 Pb2 88.38(14) . 1_565 ? 
Pb2 F2 Pb2 154.88(19) . 1_565 ? 
Pb3 F2 Pb2 83.06(11) 1_655 1_565 ? 
Al F2 Pb3 159.6(2) . 2_665 ? 
Pb3 F2 Pb3 79.65(12) . 2_665 ? 
Pb2 F2 Pb3 83.53(13) . 2_665 ? 
Pb3 F2 Pb3 75.78(11) 1_655 2_665 ? 
Pb2 F2 Pb3 72.40(10) 1_565 2_665 ? 
Al F3 Pb1 150.7(3) . 2_666 ? 
Al F3 Pb1 86.18(19) . 1_665 ? 
Pb1 F3 Pb1 111.69(16) 2_666 1_665 ? 
Al F3 Pb1 78.13(18) . 1_565 ? 
Pb1 F3 Pb1 77.98(12) 2_666 1_565 ? 
Pb1 F3 Pb1 92.93(11) 1_665 1_565 ? 
Al F4 Pb1 149.2(3) . . ? 
Al F4 Pb3 96.1(2) . . ? 
Pb1 F4 Pb3 97.84(15) . . ? 
Al F4 Pb2 77.77(18) . . ? 
Pb1 F4 Pb2 81.41(12) . . ? 
Pb3 F4 Pb2 69.94(11) . . ? 
Al F4 Pb1 81.02(17) . 1_565 ? 
Pb1 F4 Pb1 129.01(16) . 1_565 ? 
Pb3 F4 Pb1 76.66(10) . 1_565 ? 
Pb2 F4 Pb1 137.83(14) . 1_565 ? 
Al F5 Pb1 142.0(3) . 1_565 ? 
Al F5 Pb2 109.5(2) . 1_565 ? 
Pb1 F5 Pb2 108.33(16) 1_565 1_565 ? 
Al F5 Pb3 87.05(19) . . ? 
Pb1 F5 Pb3 98.08(15) 1_565 . ? 
Pb2 F5 Pb3 88.27(15) 1_565 . ? 
Al F6 Pb1 158.3(3) . 1_655 ? 
Al F6 Pb2 101.8(2) . . ? 
Pb1 F6 Pb2 97.04(17) 1_655 . ? 
Al F6 Pb3 86.9(2) . 1_655 ? 
Pb1 F6 Pb3 87.58(16) 1_655 1_655 ? 
Pb2 F6 Pb3 75.04(14) . 1_655 ? 
Al F6 Pb1 81.09(19) . . ? 
Pb1 F6 Pb1 115.65(17) 1_655 . ? 
Pb2 F6 Pb1 70.82(11) . . ? 
Pb3 F6 Pb1 140.42(18) 1_655 . ? 
Pb2 F7 Pb3 110.89(17) 2_656 1_556 ? 
Pb2 F7 Pb2 109.37(16) 2_656 1_556 ? 
Pb3 F7 Pb2 102.62(18) 1_556 1_556 ? 
Pb2 F7 Pb3 113.12(19) 2_656 2_666 ? 
Pb3 F7 Pb3 107.20(16) 1_556 2_666 ? 
Pb2 F7 Pb3 113.13(16) 1_556 2_666 ? 
Pb3 F8 Pb2 104.09(17) 1_556 1_456 ? 
Pb3 F8 Pb2 109.82(16) 1_556 2_656 ? 
Pb2 F8 Pb2 108.98(16) 1_456 2_656 ? 
Pb3 F8 Pb3 109.30(16) 1_556 2_566 ? 
Pb2 F8 Pb3 111.21(16) 1_456 2_566 ? 
Pb2 F8 Pb3 113.06(18) 2_656 2_566 ? 
Pb3 F9 Pb1 116.0(2) . . ? 
Pb3 F9 Pb2 95.56(19) . . ? 
Pb1 F9 Pb2 104.6(2) . . ? 
Pb3 F9 Pb2 91.24(18) . 1_455 ? 
Pb1 F9 Pb2 98.7(2) . 1_455 ? 
Pb2 F9 Pb2 149.7(2) . 1_455 ? 
Pb3 F9 Pb3 153.4(2) . 1_545 ? 
Pb1 F9 Pb3 90.36(14) . 1_545 ? 
Pb2 F9 Pb3 80.42(13) . 1_545 ? 
Pb2 F9 Pb3 80.40(12) 1_455 1_545 ? 
Pb3 F9 Pb2 81.61(14) . 2_655 ? 
Pb1 F9 Pb2 161.8(2) . 2_655 ? 
Pb2 F9 Pb2 76.74(13) . 2_655 ? 
Pb2 F9 Pb2 75.14(12) 1_455 2_655 ? 
Pb3 F9 Pb2 71.84(10) 1_545 2_655 ? 
Pb1 OW Pb1 108.05(18) . 2_656 ? 
Pb1 OW Pb1 113.49(17) . 2_666 ? 
Pb1 OW Pb1 122.6(2) 2_656 2_666 ? 
Pb1 OW H1 100(7) . . ? 
Pb1 OW H1 103(8) 2_656 . ? 
Pb1 OW H1 34(6) 2_666 . ? 
Pb1 OW H2 133(7) . . ? 
Pb1 OW H2 98(7) 2_656 . ? 
Pb1 OW H2 81(6) 2_666 . ? 
H1 OW H2 112(5) . . ? 
 
loop_ 
 _geom_hbond_atom_site_label_D 
 _geom_hbond_atom_site_label_H 
 _geom_hbond_atom_site_label_A 
 _geom_hbond_distance_DH 
 _geom_hbond_distance_HA 
 _geom_hbond_distance_DA 
 _geom_hbond_angle_DHA 
 _geom_hbond_site_symmetry_A 
OW H2 F3  0.88(3) 1.95(5) 2.789(7) 159(10) 2_766 
OW H1 F4  0.88(3) 1.85(4) 2.713(8) 165(11) 2_666 
 
_diffrn_measured_fraction_theta_max    0.996 
_diffrn_reflns_theta_full              27.47 
_diffrn_measured_fraction_theta_full   0.996 
_refine_diff_density_max    2.066 
_refine_diff_density_min   -2.138 
_refine_diff_density_rms    0.336 
