#======================================================================= data_global #======================================================================= _audit_creation_method 'Jana2006 Version : 23/10/2008' # 1. PROCESSING SUMMARY (IUCr Office Use Only) _journal_date_recd_electronic ? _journal_date_to_coeditor ? _journal_date_from_coeditor ? _journal_date_accepted ? _journal_date_printers_first ? _journal_date_printers_final ? _journal_date_proofs_out ? _journal_date_proofs_in ? _journal_coeditor_name ? _journal_coeditor_code ? _journal_coeditor_notes ; ? ; _journal_techeditor_code ? _journal_paper_category ? _journal_techeditor_notes ; ? ; _journal_coden_ASTM ? _journal_name_full 'Acta Crystallographica Section C' _journal_year ? _journal_volume ? _journal_issue ? _journal_page_first ? _journal_page_last ? _journal_suppl_publ_number ? _journal_suppl_publ_pages ? #======================================================================= # 2. SUBMISSION DETAILS _publ_contact_author_name ? _publ_contact_author_address ; ? ; _publ_contact_author_email ? _publ_contact_author_fax ? _publ_contact_author_phone ? _publ_requested_journal 'Acta Crystallographica Section C' _publ_requested_category ? _publ_contact_letter ; ? ; #======================================================================= # 3. TITLE AND AUTHOR LIST _publ_section_title ; ? ; _publ_section_title_footnote ; ? ; loop_ _publ_author_name _publ_author_footnote _publ_author_address ? # name ; ? # footnote ; ; ? # address ; #======================================================================= # 4. TEXT _publ_section_synopsis ; ? ; _publ_section_abstract ; ? ; _publ_section_comment ; ? ; _publ_section_introduction ; ? ; _publ_section_experimental ; ? ; _publ_section_exptl_prep ; ? ; _publ_section_exptl_refinement ; ? ; _publ_section_exptl_solution ; ? ; _publ_section_discussion ; ? ; _publ_section_acknowledgements ; ? ; _publ_section_references ; Petricek, V., Dusek, M. & Palatinus L. (2006). Jana2006. Structure Determination Software Programs. Institute of Physics, Praha, Czech Republic. Palatinus L. & Chapuis G. (2007). J. Appl. Cryst. 40, 786-790. # enable this reference if Diamond ver. 2 was used for visualization #Brandenburg, K. (1999). DIAMOND. Version. 2.1c. #Crystal Impact GbR, Bonn, Germany. # enable this reference if Diamond ver. 3 was used for visualization #Brandenburg, K. & Putz, H. (2005). DIAMOND Version 3. #Crystal Impact GbR, Postfach 1251, D-53002 Bonn, Germany. # enable this reference if SIR97 was used for solving of the structure #Altomare, A., Burla, M. C., Camalli, M., Cascarano, G., Giacovazzo, C., #Guagliardi, A., Moliterni, A. G. G., Polidori, G., Spagna, R. (1997). #SIR97. A Package for Crystal Structure Solution by Direct Methods #and Refinement, Bari, Rome, Italy. # use this reference if SIR2002 was used for solving of the structure #Burla, M.C., Camalli, M., Carrozzini, B., Cascarano, G., Giacovazzo, C., #Polidori, G., Spagna, R. #SIR2002: the program, J. Appl. Cryst, (2003). 36, 1103 # enable this reference if bond valences were calculated #Brown, I. D. (1996). J. Appl. Cryst. 29, 479-480. # enable this reference if Xshape wase used for crystal shape refinement #Stoe & Cie (1998). X-SHAPE. Stoe & Cie, Darmstadt, Germany. # enable this reference if Flack coefficient was refined #Flack, H. D. (1983). Acta Cryst. A39, 876-881. ; _publ_section_figure_captions ; ? ; _publ_section_table_legends ; ? ; #======================================================================= data_(I) #======================================================================= # 5. CHEMICAL DATA _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_iupac ? _chemical_formula_sum 'Ba1 O4 S1' _chemical_formula_weight 233.4 _chemical_melting_point ? _chemical_compound_source ? _chemical_absolute_configuration . #======================================================================= # 6. CRYSTAL DATA _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M 'P n m a' _symmetry_space_group_name_Hall '-P -2xabc;-2yb;-2zac' loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 -x+1/2,-y,z+1/2 3 -x,y+1/2,-z 4 x+1/2,-y+1/2,-z+1/2 5 -x,-y,-z 6 x+1/2,y,-z+1/2 7 x,-y+1/2,z 8 -x+1/2,y+1/2,z+1/2 _cell_length_a 8.4159 _cell_length_b 5.1077 _cell_length_c 6.6914 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 287.6358 _cell_formula_units_Z 4 _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _cell_measurement_temperature ? _cell_special_details ; ? ; _exptl_crystal_density_diffrn 5.3879 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_F_000 416 _exptl_absorpt_coefficient_mu 2.821 _exptl_crystal_description ? _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_size_rad ? _exptl_crystal_colour ? _exptl_absorpt_correction_type None _exptl_absorpt_process_details ? _exptl_absorpt_correction_T_min 1 _exptl_absorpt_correction_T_max 1 #======================================================================= # 7. EXPERIMENTAL DATA _exptl_special_details ? _diffrn_ambient_temperature 293 _diffrn_radiation_type 'X-ray' _diffrn_radiation_source ? _diffrn_radiation_wavelength 0.41443 _diffrn_radiation_monochromator graphite _diffrn_measurement_device 'four-cycle diffractometer' _diffrn_measurement_device_type 'Oxford Diffraction CCD' _diffrn_detector_area_resol_mean ? _diffrn_measurement_method ? _diffrn_reflns_number 235 _diffrn_reflns_theta_min 3.25 _diffrn_reflns_theta_max 15.5 _diffrn_reflns_theta_full 11.7 _diffrn_measured_fraction_theta_max ? _diffrn_measured_fraction_theta_full 0.59 _diffrn_reflns_av_R_equivalents ? _diffrn_reflns_av_sigmaI/netI 0.0519 _diffrn_reflns_limit_h_min -7 _diffrn_reflns_limit_h_max 6 _diffrn_reflns_limit_k_min -4 _diffrn_reflns_limit_k_max 5 _diffrn_reflns_limit_l_min -8 _diffrn_reflns_limit_l_max 8 _diffrn_reflns_reduction_process ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l ? ? ? #======================================================================= # 8. REFINEMENT DATA _refine_special_details ; ? ; _reflns_number_total 235 _reflns_number_gt 170 _reflns_threshold_expression 'I>3\s(I)' _refine_ls_structure_factor_coef F _refine_ls_R_factor_gt 0.0298 _refine_ls_wR_factor_gt 0.0268 _refine_ls_R_factor_all 0.0513 _refine_ls_wR_factor_ref 0.0284 _refine_ls_goodness_of_fit_ref 1.16 _refine_ls_goodness_of_fit_gt 1.30 _refine_ls_restrained_S_gt ? _refine_ls_restrained_S_all ? _refine_ls_number_reflns 235 _refine_ls_number_parameters 17 _refine_ls_number_restraints 0 _refine_ls_number_constraints 0 _refine_ls_weighting_scheme sigma _refine_ls_weighting_details 'w=1/(\s^2^(F)+0.0001F^2^)' _refine_ls_hydrogen_treatment ? _refine_ls_shift/su_max 0.0023 _refine_ls_shift/su_mean 0.0004 _refine_diff_density_max ? _refine_diff_density_min ? _refine_ls_extinction_method 'none' _refine_ls_extinction_coef ? _refine_ls_abs_structure_details ? _refine_ls_abs_structure_Flack ? _refine_ls_abs_structure_Rogers ? loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source Ba -1.325 0.883 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' S 0.045 0.041 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' O 0.002 0.002 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement 'Jana2006 (Petricek, Dusek & Palatinus, 2006)' _computing_molecular_graphics ? _computing_publication_material 'Jana2006 (Petricek, Dusek & Palatinus, 2006)' #======================================================================= # 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_adp_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Ba Ba 0.17887(16) 0.25 0.16819(15) Uiso 0.0083(3) 4 1 d . . . S S 0.4285(6) 0.75 0.1920(6) Uiso 0.0094(11) 4 1 d . . . O1 O 0.5790(15) 0.75 0.0821(15) Uiso 0.018(3) 4 1 d . . . O2 O 0.2889(17) 0.75 0.0538(14) Uiso 0.009(3) 4 1 d . . . O3 O 0.4173(10) 0.9804(15) 0.3265(12) Uiso 0.0077(19) 8 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_type_symbol _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 ? ? ? ? ? ? ? ? #======================================================================= # 10. MOLECULAR GEOMETRY loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag S O1 . . 1.465(13) yes S O2 . . 1.495(13) yes S O3 . . 1.484(8) yes S O3 . 7_565 1.484(8) yes O1 O2 . . 2.448(19) yes O1 O3 . . 2.431(13) yes O1 O3 . 7_565 2.431(13) yes O2 O3 . . 2.425(12) yes O2 O3 . 7_565 2.425(12) yes O3 O3 . 7_565 2.353(11) yes loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag O1 S O2 . . . 111.6(7) yes O1 S O3 . . . 111.1(4) yes O1 S O3 . . 7_565 111.1(4) yes O2 S O3 . . . 109.0(5) yes O2 S O3 . . 7_565 109.0(5) yes O3 S O3 . . 7_565 104.9(5) yes S O1 O2 . . . 34.6(4) yes S O1 O3 . . . 34.7(3) yes S O1 O3 . . 7_565 34.7(3) yes O2 O1 O3 . . . 59.6(4) yes O2 O1 O3 . . 7_565 59.6(4) yes O3 O1 O3 . . 7_565 57.9(4) yes S O2 O1 . . . 33.8(4) yes S O2 O3 . . . 35.4(3) yes S O2 O3 . . 7_565 35.4(3) yes O1 O2 O3 . . . 59.9(4) yes O1 O2 O3 . . 7_565 59.9(4) yes O3 O2 O3 . . 7_565 58.1(4) yes S O3 O1 . . . 34.2(3) yes S O3 O2 . . . 35.6(4) yes S O3 O3 . . 7_565 37.6(3) yes O1 O3 O2 . . . 60.5(5) yes O1 O3 O3 . . 7_565 61.1(3) yes O2 O3 O3 . . 7_565 61.0(3) yes loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion _geom_torsion_publ_flag ? ? ? ? ? ? ? ? ? ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_site_symmetry_D _geom_hbond_site_symmetry_H _geom_hbond_site_symmetry_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_publ_flag ? ? ? ? ? ? ? ? ? ? ? #======================================================================= # 11. STRUCTURE-FACTOR LIST loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_meas _refln_F_calc _refln_F_sigma _refln_observed_status 0 0 4 66.55 66.15 1.09 o 0 0 6 111.65 111.08 1.41 o 0 1 7 52.93 51.89 2.63 o 1 0 2 119.04 119.84 1.26 o -1 0 -2 120.65 119.84 1.27 o 1 0 3 66.21 64.11 0.99 o -1 0 -3 67.30 64.11 1.09 o 1 0 4 90.65 89.62 1.18 o 1 0 5 23.99 21.61 2.48 o 1 0 6 15.06 17.33 4.52 < -1 0 6 26.79 17.33 3.06 o 1 0 7 30.21 32.77 2.94 o -1 0 7 31.87 32.77 2.45 o 1 0 8 50.86 50.36 1.96 o 1 1 1 54.70 54.87 0.95 o -1 -1 1 54.18 54.87 0.69 o 1 1 -1 53.79 54.87 0.69 o -1 -1 -1 57.37 54.87 1.00 o 1 1 2 89.58 92.66 1.15 o 1 1 3 120.00 117.49 1.46 o 1 1 4 58.49 55.95 1.54 o -1 1 -4 55.79 55.95 0.97 o 1 1 5 38.95 38.46 2.08 o -1 1 -5 38.78 38.46 1.76 o -1 -1 6 18.91 19.78 1.34 o 1 1 6 21.30 19.78 3.58 < 1 1 7 37.55 38.31 2.44 o 1 1 8 15.32 17.92 5.24 < 1 2 -2 129.13 128.19 1.45 o 1 2 -3 6.06 8.80 2.85 < 1 2 4 95.94 101.96 1.81 o -1 2 -5 6.28 1.69 4.71 < -1 2 -6 15.74 19.40 2.27 o 1 3 -4 53.42 55.41 1.12 o 1 4 -5 5.92 12.02 6.38 < -2 0 -2 12.48 10.78 3.15 < 2 0 3 19.12 18.66 2.19 o -2 0 -3 20.47 18.66 2.41 o 2 0 4 28.23 26.61 1.72 o -2 0 -4 29.92 26.61 1.76 o -2 0 -5 54.68 51.06 1.99 o 2 0 5 52.01 51.06 1.49 o 2 0 6 41.82 41.78 1.98 o 2 0 7 26.89 28.24 3.10 o 2 0 8 8.60 13.01 8.81 < 2 1 0 151.86 153.67 1.58 o -2 -1 0 151.12 153.67 1.57 o 2 1 -1 108.82 109.30 1.18 o -2 -1 1 109.56 109.30 1.19 o -2 -1 -1 108.28 109.30 1.20 o 2 1 1 108.92 109.30 1.24 o 2 1 2 81.36 81.70 1.14 o -2 -1 -2 81.33 81.70 1.14 o 2 1 3 14.07 14.92 3.67 < -2 -1 -3 10.90 14.92 5.67 < 2 1 4 32.78 34.52 2.24 o -2 -1 -4 32.42 34.52 2.64 o -2 1 -5 63.05 63.44 1.20 o 2 1 5 64.51 63.44 1.72 o -2 1 -6 89.87 84.00 1.56 o 2 1 6 86.52 84.00 1.72 o 2 1 7 49.61 49.07 2.10 o -2 -1 7 47.28 49.07 1.05 o 2 1 8 44.76 43.11 2.76 o 2 2 0 89.03 88.52 1.19 o -2 -2 0 85.03 88.52 1.38 o 2 2 -1 97.80 96.26 1.21 o 2 2 1 96.82 96.26 1.32 o -2 -2 1 95.78 96.26 1.31 o -2 -2 2 29.06 29.08 1.67 o 2 2 -2 31.12 29.08 1.26 o 2 2 2 30.28 29.08 2.28 o 2 2 4 32.76 31.99 2.63 o 2 2 5 68.32 68.75 1.97 o 2 2 6 50.20 52.27 2.63 o -2 2 -6 49.22 52.27 1.40 o -2 2 -7 41.80 45.94 1.75 o 2 3 0 101.00 102.80 1.64 o 2 3 1 75.89 75.37 1.98 o 2 3 2 55.70 56.74 2.54 o 2 3 -2 55.78 56.74 1.39 o 2 3 -3 9.57 11.01 4.62 < 2 3 4 18.14 27.07 6.24 < 2 3 -4 24.06 27.07 1.60 o 2 4 -1 31.98 39.51 4.02 o 2 4 -2 3.56 12.26 20.23 < 2 4 -3 7.45 9.70 7.42 < 2 4 -4 21.38 20.96 2.96 o 2 4 -5 39.99 40.18 1.59 o 2 5 -4 17.51 24.19 4.30 < -3 0 -3 131.86 132.45 1.51 o -3 0 -5 61.44 57.33 1.67 o 3 0 5 59.92 57.33 1.56 o 3 0 6 3.27 6.87 22.84 < -3 0 -6 12.28 6.87 6.73 < -3 0 -7 27.26 32.97 4.76 < -3 -1 -1 2.86 1.34 14.82 < 3 1 2 113.46 111.91 1.37 o -3 -1 -2 112.91 111.91 1.41 o -3 -1 -3 54.25 55.31 1.30 o 3 1 3 54.82 55.31 1.51 o 3 1 4 85.51 82.02 1.55 o -3 -1 -4 82.11 82.02 1.49 o 3 1 5 42.08 39.70 2.53 o 3 1 6 4.11 5.23 20.26 < -3 1 -6 2.32 5.23 20.91 < -3 1 -7 1.76 4.56 37.71 < 3 1 7 8.01 4.56 9.52 < -3 -2 -1 56.70 55.58 1.69 o 3 2 -1 55.29 55.58 1.33 o -3 -2 1 56.43 55.58 1.27 o 3 2 1 54.82 55.58 1.51 o 3 2 -2 4.27 0.52 9.73 < -3 -2 2 6.17 0.52 6.12 < -3 -2 -2 7.96 0.52 10.36 < 3 2 2 1.70 0.52 28.54 < -3 -2 -3 122.05 118.53 1.94 o -3 -2 3 118.46 118.53 1.32 o 3 2 3 117.42 118.53 1.58 o -3 -2 4 34.11 34.56 1.13 o 3 2 4 32.50 34.56 2.35 o -3 -2 5 52.53 53.12 0.88 o 3 2 5 53.04 53.12 2.18 o 3 3 1 11.03 8.90 6.73 < 3 3 -1 5.44 8.90 9.82 < 3 3 2 87.07 88.63 1.62 o 3 3 -2 88.02 88.63 1.31 o 3 3 -3 54.39 53.76 1.47 o 3 3 3 51.49 53.76 2.55 o 3 4 -1 43.75 42.56 2.42 o 3 4 1 39.61 42.56 3.03 o 3 4 -2 22.64 24.46 3.54 o 3 4 -3 91.61 91.05 1.56 o 3 5 -2 63.14 64.52 2.26 o 3 5 -4 50.77 53.17 2.02 o -4 0 -5 107.24 103.51 1.68 o -4 0 -6 25.75 26.36 3.64 o -4 0 -7 89.77 86.87 1.98 o -4 0 -8 10.89 13.18 10.59 < 4 1 2 22.59 24.01 2.94 o -4 -1 -2 23.28 24.01 2.85 o 4 1 3 6.15 3.46 9.94 < -4 -1 -3 7.52 3.46 7.80 < 4 1 4 53.19 50.85 2.09 o -4 -1 -4 51.11 50.85 1.87 o 4 1 5 3.15 11.88 22.99 < -4 -1 -5 13.45 11.88 7.15 < 4 1 6 61.09 59.99 2.34 o -4 -1 -6 55.83 59.99 2.84 o -4 -1 -7 6.64 12.93 17.18 < -4 1 -7 10.66 12.93 7.33 < 4 2 0 19.10 17.76 3.82 < -4 -2 0 18.12 17.76 3.47 < 4 2 -1 99.29 98.89 1.38 o -4 -2 -1 98.25 98.89 1.41 o 4 2 1 99.90 98.89 1.49 o -4 -2 1 99.23 98.89 1.34 o 4 2 2 13.29 13.66 6.20 < -4 -2 -2 12.48 13.66 5.88 < -4 -2 2 20.63 13.66 3.00 o -4 -2 -3 23.48 27.36 3.44 o 4 2 3 29.95 27.36 3.64 o -4 -2 3 25.79 27.36 2.02 o -4 -2 4 4.35 8.72 10.78 < 4 2 4 10.32 8.72 7.70 < -4 -2 -5 75.70 76.26 2.87 o 4 3 0 102.30 101.92 1.70 o -4 -3 0 94.67 101.92 1.89 o -4 -3 -1 10.74 17.50 9.44 < -4 -3 1 11.46 17.50 6.86 < 4 3 1 10.73 17.50 7.46 < -4 -3 -2 20.11 26.83 6.11 < 4 3 -2 35.14 26.83 2.42 o -4 -3 2 27.14 26.83 3.28 o 4 3 2 22.71 26.83 3.48 o -4 -3 3 11.58 2.38 6.22 < -4 -3 4 45.70 45.16 2.40 o 4 4 0 28.38 29.79 3.39 o 4 4 -1 104.86 102.18 1.87 o 4 4 -2 19.11 18.72 4.52 < 4 4 -3 18.98 22.36 3.80 < 4 4 -4 5.80 10.76 11.39 < 4 5 -2 13.59 15.32 6.42 < 4 5 -4 30.12 31.16 3.12 o -5 0 -6 8.26 9.38 8.36 < -5 0 -7 21.80 16.83 5.28 < -5 -1 -3 80.41 78.87 1.65 o 5 1 4 52.96 51.59 2.54 o -5 -1 -4 53.95 51.59 2.32 o 5 1 5 46.96 46.83 2.83 o -5 -1 -5 48.79 46.83 2.83 o -5 -1 -6 8.58 0.86 11.15 < 5 2 1 51.92 53.42 1.78 o -5 -2 1 51.97 53.42 1.79 o -5 -2 -1 55.64 53.42 2.11 o -5 -2 -2 40.73 36.53 2.60 o 5 2 2 37.21 36.53 2.71 o 5 2 3 109.71 108.97 1.76 o -5 -2 -3 110.26 108.97 1.78 o -5 -2 -4 21.17 24.13 5.96 < -5 -3 -1 29.93 36.16 3.56 o 5 3 -1 35.47 36.16 2.89 o 5 3 1 32.91 36.16 3.11 o -5 -3 1 32.45 36.16 2.84 o 5 3 -2 53.07 49.69 2.16 o -5 -3 2 50.07 49.69 2.00 o -5 -3 -2 48.50 49.69 3.14 o -5 -3 3 72.27 71.00 1.52 o -5 -3 4 36.70 38.92 2.18 o -5 -3 5 39.28 42.48 2.16 o -5 -4 1 24.50 30.47 6.77 < 5 4 -1 30.13 30.47 3.36 o -5 -4 2 28.39 39.64 4.98 < 5 4 -2 35.88 39.64 2.85 o 5 4 -3 67.01 65.65 1.92 o 5 5 -3 47.35 48.90 2.68 o -6 -2 -1 30.93 26.84 3.41 o 6 2 2 41.15 42.65 2.67 o -6 -2 -2 43.60 42.65 2.69 o 6 3 0 55.07 56.05 2.48 o -6 -3 0 56.21 56.05 2.31 o 6 3 -1 88.61 86.75 1.98 o -6 -3 1 87.76 86.75 1.93 o -6 -3 -1 79.28 86.75 1.95 o -6 -3 2 18.98 21.57 4.76 < -6 -3 3 7.94 3.77 8.76 < -6 -3 4 15.36 13.31 5.15 < -6 -3 5 48.80 51.20 2.00 o -6 -4 1 11.96 21.05 9.49 < 6 4 -2 16.60 19.82 6.13 < -6 -4 2 16.24 19.82 7.39 < -6 -4 3 8.86 1.38 10.75 < -6 -4 4 20.27 25.31 6.61 < -7 -3 1 41.59 39.10 3.05 o -7 -4 4 56.01 58.45 2.88 o