#------------------------------------------------------------------------------ #$Date: 2012-02-03 19:16:24 +0200 (Fri, 03 Feb 2012) $ #$Revision: 32112 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/01/37/2013735.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2013735 loop_ _publ_author_name 'Gutzmann, Andreas' 'N\"ather, Christian' 'Bensch, Wolfgang' _publ_section_title ; K~4~VP~2~S~9~ ; _journal_issue 2 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first i11 _journal_page_last i13 _journal_volume 60 _journal_year 2004 _chemical_formula_iupac 'K4 V P2 S9' _chemical_formula_moiety 'K4 + , V P2 S9 4-' _chemical_formula_sum 'K4 P2 S9 V' _chemical_formula_weight 557.82 _chemical_name_systematic ; Tetrapotassium vanadium diphosphorus nonasulfide ; _space_group_IT_number 33 _symmetry_cell_setting orthorhombic _symmetry_space_group_name_Hall 'P 2c -2n' _symmetry_space_group_name_H-M 'P n a 21' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_method SHELXL97 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 19.3587(15) _cell_length_b 6.7658(5) _cell_length_c 12.7869(7) _cell_measurement_reflns_used 8000 _cell_measurement_temperature 180 _cell_measurement_theta_max 28.2 _cell_measurement_theta_min 1.9 _cell_volume 1674.8(2) _computing_cell_refinement IPDS _computing_data_collection 'IPDS (Stoe & Cie, 1998)' _computing_data_reduction IPDS _computing_molecular_graphics 'DIAMOND (Brandenburg, 1999)' _computing_publication_material 'CIFTAB in SHELXTL (Bruker, 1998)' _computing_structure_refinement 'SHELXL97 (Sheldrick, 1997)' _computing_structure_solution 'SHELXS97 (Sheldrick, 1997)' _diffrn_ambient_temperature 293(2) _diffrn_measured_fraction_theta_full 0.987 _diffrn_measured_fraction_theta_max 0.987 _diffrn_measurement_device_type 'Stoe IPDS' _diffrn_measurement_method \f _diffrn_radiation_monochromator graphite _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.040 _diffrn_reflns_av_sigmaI/netI 0.024 _diffrn_reflns_limit_h_max 25 _diffrn_reflns_limit_h_min -25 _diffrn_reflns_limit_k_max 8 _diffrn_reflns_limit_k_min -8 _diffrn_reflns_limit_l_max 16 _diffrn_reflns_limit_l_min -16 _diffrn_reflns_number 16873 _diffrn_reflns_theta_full 28.04 _diffrn_reflns_theta_max 28.04 _diffrn_reflns_theta_min 2.64 _diffrn_standards_decay_% none _diffrn_standards_interval_count 0 _diffrn_standards_interval_time 0 _diffrn_standards_number none _exptl_absorpt_coefficient_mu 2.868 _exptl_absorpt_correction_T_max 0.753 _exptl_absorpt_correction_T_min 0.510 _exptl_absorpt_correction_type numerical _exptl_absorpt_process_details 'X-SHAPE (Stoe & Cie, 1998) and X-RED (Stoe & Cie, 1998)' _exptl_crystal_colour red _exptl_crystal_density_diffrn 2.212 _exptl_crystal_density_meas 'not measured' _exptl_crystal_density_method 'not measured' _exptl_crystal_description polyhedron _exptl_crystal_F_000 1092 _exptl_crystal_size_max 0.25 _exptl_crystal_size_mid 0.20 _exptl_crystal_size_min 0.10 _refine_diff_density_max 1.67 _refine_diff_density_min -1.20 _refine_ls_abs_structure_details 'Flack (1983), with how many Friedel pairs' _refine_ls_abs_structure_Flack 0.0(4) _refine_ls_extinction_coef 0.0048(8) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_extinction_method 'SHELXL97 (Sheldrick, 1997)' _refine_ls_goodness_of_fit_ref 1.051 _refine_ls_hydrogen_treatment none _refine_ls_matrix_type full _refine_ls_number_parameters 147 _refine_ls_number_reflns 3999 _refine_ls_number_restraints 1 _refine_ls_restrained_S_all 1.051 _refine_ls_R_factor_all 0.051 _refine_ls_R_factor_gt 0.048 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'calc w = 1/[\s^2^(Fo^2^)+(0.1015P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.124 _refine_ls_wR_factor_ref 0.127 _reflns_number_gt 3610 _reflns_number_total 3999 _reflns_threshold_expression I>2\s(I) _[local]_cod_data_source_file av1159.cif _[local]_cod_data_source_block I _cod_database_code 2013735 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, z+1/2' 'x+1/2, -y+1/2, z' '-x+1/2, y+1/2, z+1/2' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_refinement_flags _atom_site_occupancy _atom_site_disorder_assembly _atom_site_disorder_group _atom_site_type_symbol K1 0.78461(9) 0.75120(11) 0.17680(13) 0.0213(4) Uani d . 1 . . K K2 0.53614(8) 0.25562(11) 0.52620(14) 0.0191(4) Uani d . 1 . . K K3 0.56809(8) 0.74970(10) 0.32833(14) 0.0146(4) Uani d . 1 . . K K4 0.31871(8) 0.24486(11) 0.37562(15) 0.0152(4) Uani d . 1 . . K V1 0.37499(3) 0.64313(7) 0.60152(17) 0.00844(14) Uani d . 1 . . V P1 0.23215(9) 0.74837(11) 0.49990(13) 0.0081(4) Uani d . 1 . . P P2 0.51736(9) 0.75168(11) 0.70201(16) 0.0084(4) Uani d . 1 . . P S1 0.37527(4) 0.33080(10) 0.6015(2) 0.01332(16) Uani d . 1 . . S S2 0.48623(9) 0.74867(11) 0.54470(17) 0.0116(4) Uani d . 1 . . S S3 0.41840(9) 0.74967(11) 0.76604(15) 0.0106(4) Uani d . 1 . . S S4 0.33215(9) 0.74768(12) 0.43692(14) 0.0124(4) Uani d . 1 . . S S5 0.26336(9) 0.74618(12) 0.65663(16) 0.0131(4) Uani d . 1 . . S S6 0.18420(6) 0.9981(2) 0.46056(12) 0.0147(3) Uani d . 1 . . S S7 0.18266(6) 0.5016(2) 0.45858(12) 0.0160(4) Uani d . 1 . . S S8 0.56760(6) 0.5057(2) 0.74575(12) 0.0143(3) Uani d . 1 . . S S9 0.56529(6) 1.0025(2) 0.74306(11) 0.0139(3) Uani d . 1 . . S loop_ _atom_site_aniso_label _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 K1 0.0179(9) 0.0230(9) 0.0230(11) -0.0025(3) -0.0026(8) 0.0013(3) K2 0.0194(9) 0.0208(8) 0.0170(8) 0.0020(3) 0.0026(7) -0.0002(3) K3 0.0139(8) 0.0194(9) 0.0104(8) 0.0005(2) 0.0009(6) -0.0010(2) K4 0.0155(8) 0.0163(9) 0.0137(9) -0.0016(2) 0.0012(6) -0.0009(3) V1 0.0076(2) 0.0099(2) 0.0079(2) 0.00020(19) -0.00045(19) -0.0003(4) P1 0.0104(8) 0.0101(9) 0.0039(8) 0.0000(2) -0.0007(8) 0.0003(2) P2 0.0053(8) 0.0046(8) 0.0153(10) -0.0004(2) -0.0008(8) 0.0000(3) S1 0.0163(3) 0.0088(3) 0.0149(3) 0.0000(3) -0.0036(3) -0.0012(9) S2 0.0081(8) 0.0167(9) 0.0101(9) -0.0023(2) 0.0025(8) 0.0004(3) S3 0.0087(7) 0.0136(9) 0.0095(8) -0.0011(2) 0.0004(7) -0.0028(2) S4 0.0107(7) 0.0190(10) 0.0076(9) 0.0017(3) 0.0014(7) 0.0025(3) S5 0.0118(9) 0.0216(10) 0.0058(8) 0.0034(3) -0.0016(8) -0.0011(3) S6 0.0135(6) 0.0081(7) 0.0226(8) 0.0017(4) -0.0008(5) 0.0003(7) S7 0.0142(7) 0.0091(7) 0.0247(9) -0.0015(4) -0.0017(6) -0.0007(7) S8 0.0132(7) 0.0078(7) 0.0218(8) 0.0025(4) -0.0066(5) 0.0029(7) S9 0.0140(7) 0.0072(7) 0.0205(8) -0.0030(4) -0.0053(5) -0.0032(7) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag K1 S1 2_664 3.288(2) y K1 S6 2_674 3.300(2) y K1 S7 2_664 3.334(2) y K1 S4 3_565 3.451(3) y K1 S8 4_654 3.454(2) y K1 S9 4_644 3.463(2) y K1 S5 2_664 3.5005(13) y K1 S5 2_674 3.5346(13) y K1 K2 4_654 3.9687(12) n K1 K4 3 4.2619(17) n K1 K4 3_565 4.3039(18) n K1 K4 2_664 4.340(3) n K2 S1 . 3.299(2) y K2 S9 1_545 3.308(2) y K2 S8 . 3.334(2) y K2 S6 3_565 3.4202(19) y K2 S7 3 3.4382(19) y K2 S3 2_664 3.441(3) y K2 S2 . 3.4810(13) y K2 S2 1_545 3.5713(13) y K2 K1 4_645 3.9687(12) n K2 K3 . 4.2378(18) n K2 K3 1_545 4.3013(17) n K2 K3 2_665 4.359(3) n K3 S1 2_664 3.148(3) y K3 S2 . 3.188(3) y K3 S7 3_565 3.244(2) y K3 S9 2_674 3.2659(19) y K3 S6 3_565 3.274(2) y K3 S8 2_664 3.3166(19) y K3 S3 2_664 3.4811(12) y K3 S3 2_674 3.4894(12) y K3 P1 3_565 3.860(2) n K3 K2 1_565 4.3013(17) n K3 K2 2_664 4.359(3) n K4 S1 . 3.143(3) y K4 S5 4_544 3.220(3) y K4 S8 2_664 3.233(2) y K4 S9 2_664 3.274(2) y K4 S6 1_545 3.278(2) y K4 S7 . 3.329(2) y K4 S4 1_545 3.4638(13) y K4 S4 . 3.5007(13) y K4 K1 3_455 4.2619(17) n K4 K1 3_465 4.3039(18) n K4 K1 2_665 4.340(3) n V1 S1 . 2.1132(9) y V1 S4 . 2.370(3) y V1 S3 . 2.377(3) y V1 S5 . 2.3774(18) y V1 S2 . 2.3823(19) y P1 S6 . 1.9922(17) y P1 S7 . 1.9963(18) y P1 S5 . 2.093(3) y P1 S4 . 2.097(3) y P1 K3 3_465 3.860(2) n P2 S9 . 2.0042(17) y P2 S8 . 2.0073(17) y P2 S3 . 2.083(3) y P2 S2 . 2.100(3) y S1 K3 2_665 3.148(3) n S1 K1 2_665 3.288(2) n S2 K2 1_565 3.5713(13) n S3 K2 2_665 3.441(3) n S3 K3 2_665 3.4811(12) n S3 K3 2_675 3.4894(12) n S4 K1 3_465 3.451(3) n S4 K4 1_565 3.4638(13) n S5 K4 4 3.220(3) n S5 K1 2_665 3.5005(13) n S5 K1 2_675 3.5346(13) n S6 K3 3_465 3.274(2) n S6 K4 1_565 3.278(2) n S6 K1 2_675 3.300(2) n S6 K2 3_465 3.4202(19) n S7 K3 3_465 3.244(2) n S7 K1 2_665 3.334(2) n S7 K2 3_455 3.4382(19) n S8 K4 2_665 3.233(2) n S8 K3 2_665 3.3166(19) n S8 K1 4_645 3.454(2) n S9 K3 2_675 3.2659(19) n S9 K4 2_665 3.274(2) n S9 K2 1_565 3.308(2) n S9 K1 4_655 3.463(2) n loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' V V 0.3005 0.5294 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 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_3 _geom_angle _geom_angle_publ_flag S1 K1 S6 2_664 2_674 90.78(6) n S1 K1 S7 2_664 2_664 81.22(6) n S6 K1 S7 2_674 2_664 61.81(6) n S1 K1 S4 2_664 3_565 122.24(7) n S6 K1 S4 2_674 3_565 139.26(5) n S7 K1 S4 2_664 3_565 139.21(5) n S1 K1 S8 2_664 4_654 159.81(4) n S6 K1 S8 2_674 4_654 78.82(4) n S7 K1 S8 2_664 4_654 108.18(6) n S4 K1 S8 3_565 4_654 62.09(5) n S1 K1 S9 2_664 4_644 141.20(4) n S6 K1 S9 2_674 4_644 107.53(6) n S7 K1 S9 2_664 4_644 78.23(4) n S4 K1 S9 3_565 4_644 62.71(5) n S8 K1 S9 4_654 4_644 58.98(5) n S1 K1 S5 2_664 2_664 64.31(4) n S6 K1 S5 2_674 2_664 118.75(7) n S7 K1 S5 2_664 2_664 59.70(5) n S4 K1 S5 3_565 2_664 98.27(5) n S8 K1 S5 4_654 2_664 135.88(6) n S9 K1 S5 4_644 2_664 76.91(4) n S1 K1 S5 2_664 2_674 83.90(5) n S6 K1 S5 2_674 2_674 59.49(5) n S7 K1 S5 2_664 2_674 118.85(7) n S4 K1 S5 3_565 2_674 97.95(5) n S8 K1 S5 4_654 2_674 75.92(4) n S9 K1 S5 4_644 2_674 134.89(6) n S5 K1 S5 2_664 2_674 148.19(8) n S1 K1 K2 2_664 4_654 133.01(6) n S6 K1 K2 2_674 4_654 55.22(4) n S7 K1 K2 2_664 4_654 55.35(4) n S4 K1 K2 3_565 4_654 103.56(4) n S8 K1 K2 4_654 4_654 52.83(4) n S9 K1 K2 4_644 4_654 52.32(4) n S5 K1 K2 2_664 4_654 101.74(5) n S5 K1 K2 2_674 4_654 100.78(5) n S1 K1 K4 2_664 3 100.81(4) n S6 K1 K4 2_674 3 151.21(5) n S7 K1 K4 2_664 3 93.77(4) n S4 K1 K4 3_565 3 52.08(3) n S8 K1 K4 4_654 3 96.43(4) n S9 K1 K4 4_644 3 48.81(4) n S5 K1 K4 2_664 3 47.78(4) n S5 K1 K4 2_674 3 147.34(7) n K2 K1 K4 4_654 3 99.20(4) n S1 K1 K4 2_664 3_565 116.81(5) n S6 K1 K4 2_674 3_565 93.42(4) n S7 K1 K4 2_664 3_565 150.66(5) n S4 K1 K4 3_565 3_565 52.27(3) n S8 K1 K4 4_654 3_565 47.72(4) n S9 K1 K4 4_644 3_565 96.41(4) n S5 K1 K4 2_664 3_565 147.76(7) n S5 K1 K4 2_674 3_565 47.26(4) n K2 K1 K4 4_654 3_565 98.43(4) n K4 K1 K4 3 3_565 104.34(5) n S1 K1 K4 2_664 2_664 46.17(6) n S6 K1 K4 2_674 2_664 48.51(3) n S7 K1 K4 2_664 2_664 49.30(3) n S4 K1 K4 3_565 2_664 168.01(6) n S8 K1 K4 4_654 2_664 127.25(5) n S9 K1 K4 4_644 2_664 127.36(5) n S5 K1 K4 2_664 2_664 79.53(5) n S5 K1 K4 2_674 2_664 78.94(5) n K2 K1 K4 4_654 2_664 88.42(4) n K4 K1 K4 3 2_664 127.27(3) n K4 K1 K4 3_565 2_664 126.16(3) n S1 K2 S9 . 1_545 89.78(6) n S1 K2 S8 . . 81.28(6) n S9 K2 S8 1_545 . 61.68(5) n S1 K2 S6 . 3_565 141.96(4) n S9 K2 S6 1_545 3_565 108.36(6) n S8 K2 S6 . 3_565 78.83(4) n S1 K2 S7 . 3 158.46(4) n S9 K2 S7 1_545 3 78.93(4) n S8 K2 S7 . 3 108.54(6) n S6 K2 S7 3_565 3 59.57(5) n S1 K2 S3 . 2_664 121.68(7) n S9 K2 S3 1_545 2_664 139.59(5) n S8 K2 S3 . 2_664 140.59(5) n S6 K2 S3 3_565 2_664 63.48(5) n S7 K2 S3 3 2_664 62.65(5) n S1 K2 S2 . . 64.56(4) n S9 K2 S2 1_545 . 119.11(7) n S8 K2 S2 . . 60.47(5) n S6 K2 S2 3_565 . 77.43(4) n S7 K2 S2 3 . 136.98(6) n S3 K2 S2 2_664 . 98.43(5) n S1 K2 S2 . 1_545 82.72(4) n S9 K2 S2 1_545 1_545 59.56(5) n S8 K2 S2 . 1_545 118.75(6) n S6 K2 S2 3_565 1_545 135.31(5) n S7 K2 S2 3 1_545 75.74(4) n S3 K2 S2 2_664 1_545 97.08(5) n S2 K2 S2 . 1_545 147.22(8) n S1 K2 K1 . 4_645 133.22(6) n S9 K2 K1 1_545 4_645 55.95(4) n S8 K2 K1 . 4_645 55.63(3) n S6 K2 K1 3_565 4_645 52.41(4) n S7 K2 K1 3 4_645 52.91(4) n S3 K2 K1 2_664 4_645 104.20(4) n S2 K2 K1 . 4_645 102.53(5) n S2 K2 K1 1_545 4_645 101.37(5) n S1 K2 K3 . . 100.98(4) n S9 K2 K3 1_545 . 152.13(5) n S8 K2 K3 . . 94.35(4) n S6 K2 K3 3_565 . 49.22(4) n S7 K2 K3 3 . 97.39(4) n S3 K2 K3 2_664 . 52.68(3) n S2 K2 K3 . . 47.56(4) n S2 K2 K3 1_545 . 146.78(7) n K1 K2 K3 4_645 . 99.67(3) n S1 K2 K3 . 1_545 115.48(5) n S9 K2 K3 1_545 1_545 93.25(4) n S8 K2 K3 . 1_545 150.80(5) n S6 K2 K3 3_565 1_545 97.06(4) n S7 K2 K3 3 1_545 47.98(4) n S3 K2 K3 2_664 1_545 52.14(3) n S2 K2 K3 . 1_545 147.40(7) n S2 K2 K3 1_545 1_545 46.65(4) n K1 K2 K3 4_645 1_545 98.84(3) n K3 K2 K3 . 1_545 104.81(5) n S1 K2 K3 . 2_665 46.02(6) n S9 K2 K3 1_545 2_665 48.06(3) n S8 K2 K3 . 2_665 48.88(3) n S6 K2 K3 3_565 2_665 127.55(5) n S7 K2 K3 3 2_665 126.91(5) n S3 K2 K3 2_664 2_665 167.20(6) n S2 K2 K3 . 2_665 79.58(5) n S2 K2 K3 1_545 2_665 78.94(5) n K1 K2 K3 4_645 2_665 88.55(4) n K3 K2 K3 . 2_665 127.11(3) n K3 K2 K3 1_545 2_665 125.55(3) n S1 K3 S2 2_664 . 166.45(5) n S1 K3 S7 2_664 3_565 108.94(6) n S2 K3 S7 . 3_565 84.00(6) n S1 K3 S9 2_664 2_674 93.25(6) n S2 K3 S9 . 2_674 84.14(5) n S7 K3 S9 3_565 2_674 116.46(5) n S1 K3 S6 2_664 3_565 98.51(6) n S2 K3 S6 . 3_565 83.80(6) n S7 K3 S6 3_565 3_565 62.04(6) n S9 K3 S6 2_674 3_565 167.94(8) n S1 K3 S8 2_664 2_664 83.83(6) n S2 K3 S8 . 2_664 83.19(5) n S7 K3 S8 3_565 2_664 167.19(8) n S9 K3 S8 2_674 2_664 62.29(5) n S6 K3 S8 3_565 2_664 116.19(5) n S1 K3 S3 2_664 2_664 66.12(4) n S2 K3 S3 . 2_664 103.52(5) n S7 K3 S3 3_565 2_664 124.72(6) n S9 K3 S3 2_674 2_664 118.77(6) n S6 K3 S3 3_565 2_664 64.51(4) n S8 K3 S3 2_664 2_664 58.74(4) n S1 K3 S3 2_664 2_674 86.08(5) n S2 K3 S3 . 2_674 103.73(5) n S7 K3 S3 3_565 2_674 64.05(4) n S9 K3 S3 2_674 2_674 58.99(4) n S6 K3 S3 3_565 2_674 124.29(6) n S8 K3 S3 2_664 2_674 119.50(6) n S3 K3 S3 2_664 2_674 152.16(8) n S1 K3 P1 2_664 3_565 103.74(6) n S2 K3 P1 . 3_565 85.17(6) n S7 K3 P1 3_565 3_565 31.13(3) n S9 K3 P1 2_674 3_565 146.98(4) n S6 K3 P1 3_565 3_565 31.07(3) n S8 K3 P1 2_664 3_565 146.55(5) n S3 K3 P1 2_664 3_565 94.10(4) n S3 K3 P1 2_674 3_565 93.71(4) n S1 K3 K2 2_664 . 117.67(3) n S2 K3 K2 . . 53.68(3) n S7 K3 K2 3_565 . 101.68(6) n S9 K3 K2 2_674 . 119.27(5) n S6 K3 K2 3_565 . 52.27(4) n S8 K3 K2 2_664 . 70.34(4) n S3 K3 K2 2_664 . 51.83(4) n S3 K3 K2 2_674 . 155.91(6) n P1 K3 K2 3_565 . 77.49(4) n S1 K3 K2 2_664 1_565 136.86(4) n S2 K3 K2 . 1_565 54.54(3) n S7 K3 K2 3_565 1_565 51.94(4) n S9 K3 K2 2_674 1_565 70.99(4) n S6 K3 K2 3_565 1_565 101.67(6) n S8 K3 K2 2_664 1_565 119.21(5) n S3 K3 K2 2_664 1_565 156.60(6) n S3 K3 K2 2_674 1_565 51.14(4) n P1 K3 K2 3_565 1_565 77.37(4) n K2 K3 K2 . 1_565 104.81(5) n S1 K3 K2 2_664 2_664 48.95(4) n S2 K3 K2 . 2_664 122.62(6) n S7 K3 K2 3_565 2_664 140.88(5) n S9 K3 K2 2_674 2_664 48.88(4) n S6 K3 K2 3_565 2_664 140.47(5) n S8 K3 K2 2_664 2_664 49.22(4) n S3 K3 K2 2_664 2_664 79.86(4) n S3 K3 K2 2_674 2_664 80.82(4) n P1 K3 K2 3_565 2_664 152.21(6) n K2 K3 K2 . 2_664 117.07(3) n K2 K3 K2 1_565 2_664 117.48(3) n S1 K4 S5 . 4_544 166.08(5) n S1 K4 S8 . 2_664 97.95(6) n S5 K4 S8 4_544 2_664 83.55(6) n S1 K4 S9 . 2_664 109.36(6) n S5 K4 S9 4_544 2_664 83.66(6) n S8 K4 S9 2_664 2_664 62.22(6) n S1 K4 S6 . 1_545 93.81(7) n S5 K4 S6 4_544 1_545 84.12(5) n S8 K4 S6 2_664 1_545 167.64(9) n S9 K4 S6 2_664 1_545 117.13(5) n S1 K4 S7 . . 83.47(6) n S5 K4 S7 4_544 . 83.41(6) n S8 K4 S7 2_664 . 115.47(5) n S9 K4 S7 2_664 . 167.05(9) n S6 K4 S7 1_545 . 62.08(5) n S1 K4 S4 . 1_545 86.88(5) n S5 K4 S4 4_544 1_545 103.68(5) n S8 K4 S4 2_664 1_545 124.90(6) n S9 K4 S4 2_664 1_545 64.48(4) n S6 K4 S4 1_545 1_545 59.34(4) n S7 K4 S4 . 1_545 119.61(6) n S1 K4 S4 . . 65.71(4) n S5 K4 S4 4_544 . 103.22(5) n S8 K4 S4 2_664 . 63.71(4) n S9 K4 S4 2_664 . 124.18(6) n S6 K4 S4 1_545 . 118.67(6) n S7 K4 S4 . . 58.69(4) n S4 K4 S4 1_545 . 152.56(8) n S1 K4 K1 . 3_455 138.40(4) n S5 K4 K1 4_544 3_455 53.62(3) n S8 K4 K1 2_664 3_455 102.13(6) n S9 K4 K1 2_664 3_455 52.75(4) n S6 K4 K1 1_545 3_455 70.94(4) n S7 K4 K1 . 3_455 118.58(5) n S4 K4 K1 1_545 3_455 51.82(4) n S4 K4 K1 . 3_455 155.55(6) n S1 K4 K1 . 3_465 116.72(3) n S5 K4 K1 4_544 3_465 53.73(3) n S8 K4 K1 2_664 3_465 52.22(4) n S9 K4 K1 2_664 3_465 101.79(6) n S6 K4 K1 1_545 3_465 118.51(5) n S7 K4 K1 . 3_465 69.73(4) n S4 K4 K1 1_545 3_465 156.14(6) n S4 K4 K1 . 3_465 51.23(4) n K1 K4 K1 3_455 3_465 104.34(5) n S1 K4 K1 . 2_665 49.00(4) n S5 K4 K1 4_544 2_665 122.98(6) n S8 K4 K1 2_664 2_665 140.04(5) n S9 K4 K1 2_664 2_665 141.15(5) n S6 K4 K1 1_545 2_665 48.93(4) n S7 K4 K1 . 2_665 49.40(4) n S4 K4 K1 1_545 2_665 80.78(4) n S4 K4 K1 . 2_665 80.19(4) n K1 K4 K1 3_455 2_665 117.57(3) n K1 K4 K1 3_465 2_665 116.66(3) n S1 K4 K2 . . 45.43(4) n S5 K4 K2 4_544 . 144.14(7) n S8 K4 K2 2_664 . 65.57(5) n S9 K4 K2 2_664 . 66.40(5) n S6 K4 K2 1_545 . 126.33(6) n S7 K4 K2 . . 125.36(6) n S4 K4 K2 1_545 . 81.54(4) n S4 K4 K2 . . 79.86(4) n K1 K4 K2 3_455 . 113.66(3) n K1 K4 K2 3_465 . 111.88(3) n K1 K4 K2 2_665 . 92.86(5) n S1 V1 S4 . . 107.42(9) y S1 V1 S3 . . 107.60(8) y S4 V1 S3 . . 144.99(3) y S1 V1 S5 . . 107.19(4) y S4 V1 S5 . . 81.82(7) y S3 V1 S5 . . 88.29(9) y S1 V1 S2 . . 107.30(4) y S4 V1 S2 . . 87.47(9) y S3 V1 S2 . . 81.92(7) y S5 V1 S2 . . 145.50(3) y S6 P1 S7 . . 114.76(11) y S6 P1 S5 . . 112.47(8) y S7 P1 S5 . . 112.70(8) y S6 P1 S4 . . 109.58(7) y S7 P1 S4 . . 109.86(7) y S5 P1 S4 . . 95.81(10) y S6 P1 K3 . 3_465 58.01(6) n S7 P1 K3 . 3_465 57.15(6) n S5 P1 K3 . 3_465 141.41(9) n S4 P1 K3 . 3_465 122.78(9) n S9 P2 S8 . . 113.88(11) y S9 P2 S3 . . 109.17(8) y S8 P2 S3 . . 109.31(8) y S9 P2 S2 . . 113.08(8) y S8 P2 S2 . . 113.45(8) y S3 P2 S2 . . 96.46(10) y V1 S1 K4 . . 100.61(8) n V1 S1 K3 . 2_665 100.01(8) n K4 S1 K3 . 2_665 159.38(3) n V1 S1 K1 . 2_665 99.57(4) n K4 S1 K1 . 2_665 84.84(5) n K3 S1 K1 2_665 2_665 91.66(8) n V1 S1 K2 . . 99.01(4) n K4 S1 K2 . . 91.83(8) n K3 S1 K2 2_665 . 85.03(5) n K1 S1 K2 2_665 . 161.42(3) n P2 S2 V1 . . 88.29(10) n P2 S2 K3 . . 133.51(9) n V1 S2 K3 . . 135.61(10) n P2 S2 K2 . . 89.70(6) n V1 S2 K2 . . 89.11(4) n K3 S2 K2 . . 78.77(5) n P2 S2 K2 . 1_565 88.65(6) n V1 S2 K2 . 1_565 123.55(5) n K3 S2 K2 . 1_565 78.81(5) n K2 S2 K2 . 1_565 147.22(8) n P2 S3 V1 . . 88.81(9) n P2 S3 K2 . 2_665 98.33(9) n V1 S3 K2 . 2_665 160.51(5) n P2 S3 K3 . 2_665 91.56(5) n V1 S3 K3 . 2_665 86.26(4) n K2 S3 K3 2_665 2_665 75.49(5) n P2 S3 K3 . 2_675 90.83(5) n V1 S3 K3 . 2_675 121.52(6) n K2 S3 K3 2_665 2_675 76.72(4) n K3 S3 K3 2_665 2_675 152.16(8) n P1 S4 V1 . . 89.00(9) n P1 S4 K1 . 3_465 97.12(8) n V1 S4 K1 . 3_465 161.77(5) n P1 S4 K4 . 1_565 90.88(5) n V1 S4 K4 . 1_565 121.13(6) n K1 S4 K4 3_465 1_565 76.10(4) n P1 S4 K4 . . 91.12(5) n V1 S4 K4 . . 86.26(4) n K1 S4 K4 3_465 . 76.50(5) n K4 S4 K4 1_565 . 152.56(8) n P1 S5 V1 . . 88.89(10) n P1 S5 K4 . 4 133.65(9) n V1 S5 K4 . 4 134.87(10) n P1 S5 K1 . 2_665 90.05(6) n V1 S5 K1 . 2_665 88.92(4) n K4 S5 K1 4 2_665 78.60(5) n P1 S5 K1 . 2_675 89.27(6) n V1 S5 K1 . 2_675 122.86(6) n K4 S5 K1 4 2_675 79.02(5) n K1 S5 K1 2_665 2_675 148.19(8) n P1 S6 K3 . 3_465 90.92(6) n P1 S6 K4 . 1_565 98.36(7) n K3 S6 K4 3_465 1_565 129.41(9) n P1 S6 K1 . 2_675 98.00(7) n K3 S6 K1 3_465 2_675 145.24(6) n K4 S6 K1 1_565 2_675 82.56(5) n P1 S6 K2 . 3_465 137.88(8) n K3 S6 K2 3_465 3_465 78.51(4) n K4 S6 K2 1_565 3_465 119.92(5) n K1 S6 K2 2_675 3_465 72.37(4) n P1 S7 K3 . 3_465 91.73(7) n P1 S7 K4 . . 98.10(7) n K3 S7 K4 3_465 . 130.39(9) n P1 S7 K1 . 2_665 96.68(7) n K3 S7 K1 3_465 2_665 145.67(7) n K4 S7 K1 . 2_665 81.29(5) n P1 S7 K2 . 3_455 138.83(8) n K3 S7 K2 3_465 3_455 80.08(4) n K4 S7 K2 . 3_455 117.96(5) n K1 S7 K2 2_665 3_455 71.74(4) n P2 S8 K4 . 2_665 92.30(7) n P2 S8 K3 . 2_665 97.87(6) n K4 S8 K3 2_665 2_665 130.36(9) n P2 S8 K2 . . 95.60(8) n K4 S8 K2 2_665 . 145.28(7) n K3 S8 K2 2_665 . 81.90(5) n P2 S8 K1 . 4_645 138.04(8) n K4 S8 K1 2_665 4_645 80.06(5) n K3 S8 K1 2_665 4_645 118.53(5) n K2 S8 K1 . 4_645 71.54(4) n P2 S9 K3 . 2_675 98.98(6) n P2 S9 K4 . 2_665 91.16(7) n K3 S9 K4 2_675 2_665 129.19(9) n P2 S9 K2 . 1_565 98.04(8) n K3 S9 K2 2_675 1_565 83.06(5) n K4 S9 K2 2_665 1_565 144.67(7) n P2 S9 K1 . 4_655 137.38(8) n K3 S9 K1 2_675 4_655 119.71(5) n K4 S9 K1 2_665 4_655 78.44(4) n K2 S9 K1 1_565 4_655 71.73(4) n