#------------------------------------------------------------------------------ #$Date: 2008-06-25 12:31:45 +0300 (Wed, 25 Jun 2008) $ #$Revision: 403 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/7101832.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_7101832 loop_ _publ_author_name 'Rothenberger, Alexander' 'Shafaei-Fallah, Maryam' 'Shi, Weifeng' _publ_section_title ; A recipe for new organometallic polymers and oligomers? Synthesis and structure of an oligo- and a polymeric arrangement of P-S anions. ; _journal_issue 15 _journal_name_full 'Chemical communications (Cambridge, England)' _journal_page_first 1499 _journal_page_last 1501 _journal_year 2007 _chemical_formula_sum 'C255 H263 Ag24 P17 S33' _chemical_formula_weight 7501.00 _chemical_name_systematic ; ? ; _space_group_IT_number 196 _symmetry_cell_setting cubic _symmetry_space_group_name_Hall 'F 2 2 3' _symmetry_space_group_name_H-M 'F 2 3' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_method SHELXL-97 _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_formula_units_Z 4 _cell_length_a 31.215(4) _cell_length_b 31.215(4) _cell_length_c 31.215(4) _cell_measurement_reflns_used 2658 _cell_measurement_temperature 100(2) _cell_measurement_theta_max 54.35 _cell_measurement_theta_min 4.35 _cell_volume 30417(6) _computing_cell_refinement 'stoe x-area' _computing_data_collection 'stoe x-area' _computing_data_reduction 'stoe x-area' _computing_molecular_graphics 'SHELXL-97 (Sheldrick, 1997)' _computing_publication_material 'SHELXL-97 (Sheldrick, 1997)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _diffrn_ambient_temperature 100(2) _diffrn_detector_area_resol_mean 6.67 _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.982 _diffrn_measurement_device_type 'stoe ipds 2' _diffrn_measurement_method rotation _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 0.0352 _diffrn_reflns_av_sigmaI/netI 0.0260 _diffrn_reflns_limit_h_max 39 _diffrn_reflns_limit_h_min -39 _diffrn_reflns_limit_k_max 39 _diffrn_reflns_limit_k_min -39 _diffrn_reflns_limit_l_max 12 _diffrn_reflns_limit_l_min -37 _diffrn_reflns_number 26709 _diffrn_reflns_theta_full 25.00 _diffrn_reflns_theta_max 27.19 _diffrn_reflns_theta_min 1.85 _exptl_absorpt_coefficient_mu 1.866 _exptl_absorpt_correction_type none _exptl_crystal_colour yellow _exptl_crystal_density_diffrn 1.638 _exptl_crystal_density_method 'not measured' _exptl_crystal_description block _exptl_crystal_F_000 14816 _exptl_crystal_size_max 0.40 _exptl_crystal_size_mid 0.30 _exptl_crystal_size_min 0.30 _refine_diff_density_max 1.280 _refine_diff_density_min -1.353 _refine_diff_density_rms 0.095 _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.01(4) _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.122 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 189 _refine_ls_number_reflns 5565 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.122 _refine_ls_R_factor_all 0.0403 _refine_ls_R_factor_gt 0.0360 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0647P)^2^+49.4027P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1053 _refine_ls_wR_factor_ref 0.1068 _reflns_number_gt 4976 _reflns_number_total 5565 _reflns_threshold_expression >2sigma(I) _[local]_cod_data_source_file b617177j.txt _[local]_cod_data_source_block 1 _[local]_cod_cif_authors_sg_H-M F23 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 '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' 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' Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, z' '-x, y, -z' 'x, -y, -z' 'z, x, y' 'z, -x, -y' '-z, -x, y' '-z, x, -y' 'y, z, x' '-y, z, -x' 'y, -z, -x' '-y, -z, x' 'x, y+1/2, z+1/2' '-x, -y+1/2, z+1/2' '-x, y+1/2, -z+1/2' 'x, -y+1/2, -z+1/2' 'z, x+1/2, y+1/2' 'z, -x+1/2, -y+1/2' '-z, -x+1/2, y+1/2' '-z, x+1/2, -y+1/2' 'y, z+1/2, x+1/2' '-y, z+1/2, -x+1/2' 'y, -z+1/2, -x+1/2' '-y, -z+1/2, x+1/2' 'x+1/2, y, z+1/2' '-x+1/2, -y, z+1/2' '-x+1/2, y, -z+1/2' 'x+1/2, -y, -z+1/2' 'z+1/2, x, y+1/2' 'z+1/2, -x, -y+1/2' '-z+1/2, -x, y+1/2' '-z+1/2, x, -y+1/2' 'y+1/2, z, x+1/2' '-y+1/2, z, -x+1/2' 'y+1/2, -z, -x+1/2' '-y+1/2, -z, x+1/2' 'x+1/2, y+1/2, z' '-x+1/2, -y+1/2, z' '-x+1/2, y+1/2, -z' 'x+1/2, -y+1/2, -z' 'z+1/2, x+1/2, y' 'z+1/2, -x+1/2, -y' '-z+1/2, -x+1/2, y' '-z+1/2, x+1/2, -y' 'y+1/2, z+1/2, x' '-y+1/2, z+1/2, -x' 'y+1/2, -z+1/2, -x' '-y+1/2, -z+1/2, x' 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 Ag2 Ag 0.577619(14) 0.709812(16) 0.793481(14) 0.04711(13) Uani 1 1 d . . . Ag1 Ag 0.662028(15) 0.741592(18) 0.667294(15) 0.05243(14) Uani 1 1 d . . . P1 P 0.7500 0.7500 0.7500 0.0197(6) Uani 1 12 d S . . P3 P 0.63783(4) 0.63783(4) 0.86217(4) 0.0489(6) Uani 1 3 d S A . P2 P 0.50251(5) 0.72233(6) 0.81016(5) 0.0537(4) Uani 1 1 d . . . S3 S 0.61234(7) 0.63369(7) 0.80298(6) 0.0678(5) Uani 1 1 d . . . S4 S 0.59927(7) 0.59927(7) 0.90073(7) 0.121(2) Uani 1 3 d S . . S1 S 0.71215(3) 0.78785(3) 0.71215(3) 0.0244(3) Uani 1 3 d S . . S2 S 0.60538(4) 0.70717(4) 0.71144(4) 0.0353(2) Uani 1 1 d . . . C1 C 0.57170(9) 0.67245(10) 0.68081(9) 0.0347(10) Uani 1 1 d G A . C2 C 0.57360(9) 0.67177(10) 0.63633(9) 0.0351(10) Uani 1 1 d G . . H2 H 0.5931 0.6900 0.6217 0.042 Uiso 1 1 calc R A . C3 C 0.54700(10) 0.64446(11) 0.61332(7) 0.0435(12) Uani 1 1 d G A . H3 H 0.5483 0.6440 0.5829 0.052 Uiso 1 1 calc R . . C4 C 0.51850(9) 0.61783(10) 0.63480(9) 0.0493(14) Uani 1 1 d G . . C5 C 0.51659(10) 0.61851(11) 0.67928(9) 0.0496(14) Uani 1 1 d G A . H5 H 0.4971 0.6003 0.6940 0.060 Uiso 1 1 calc R . . C6 C 0.54320(11) 0.64582(12) 0.70229(7) 0.0428(12) Uani 1 1 d G . . H6 H 0.5419 0.6463 0.7327 0.051 Uiso 1 1 calc R A . C7 C 0.48902(15) 0.58733(16) 0.61005(14) 0.072(2) Uani 1 1 d G A . H7A H 0.4642 0.6033 0.5992 0.108 Uiso 1 1 calc R . . H7B H 0.4792 0.5645 0.6292 0.108 Uiso 1 1 calc R . . H7C H 0.5048 0.5748 0.5860 0.108 Uiso 1 1 calc R . . C8 C 0.4718(3) 0.6692(3) 0.8123(3) 0.035(2) Uiso 0.50 1 d PG A 1 C9 C 0.4917(2) 0.6304(3) 0.8213(4) 0.069(4) Uiso 0.50 1 d PG A 1 H9 H 0.5217 0.6294 0.8263 0.083 Uiso 0.50 1 calc PR A 1 C10 C 0.4677(4) 0.5929(3) 0.8229(5) 0.109(7) Uiso 0.50 1 d PG A 1 H10 H 0.4813 0.5664 0.8290 0.131 Uiso 0.50 1 calc PR A 1 C11 C 0.4238(4) 0.5942(3) 0.8155(4) 0.073(4) Uiso 0.50 1 d PG A 1 H11 H 0.4074 0.5686 0.8166 0.088 Uiso 0.50 1 calc PR A 1 C12 C 0.4039(2) 0.6330(3) 0.8066(4) 0.068(4) Uiso 0.50 1 d PG A 1 H12 H 0.3739 0.6339 0.8015 0.082 Uiso 0.50 1 calc PR A 1 C13 C 0.4279(3) 0.6705(3) 0.8049(3) 0.054(3) Uiso 0.50 1 d PG A 1 H13 H 0.4143 0.6970 0.7988 0.064 Uiso 0.50 1 calc PR A 1 C8' C 0.4642(3) 0.6822(3) 0.8044(3) 0.042(3) Uiso 0.50 1 d PG A 2 C9' C 0.4824(2) 0.6418(3) 0.8082(3) 0.063(4) Uiso 0.50 1 d PG A 2 H9' H 0.5124 0.6389 0.8124 0.075 Uiso 0.50 1 calc PR A 2 C10' C 0.4567(3) 0.6055(3) 0.8059(4) 0.074(4) Uiso 0.50 1 d PG A 2 H10' H 0.4691 0.5778 0.8085 0.089 Uiso 0.50 1 calc PR A 2 C11' C 0.4128(3) 0.6097(3) 0.7998(4) 0.069(4) Uiso 0.50 1 d PG A 2 H11' H 0.3952 0.5849 0.7982 0.083 Uiso 0.50 1 calc PR A 2 C12' C 0.3946(2) 0.6501(4) 0.7960(4) 0.089(5) Uiso 0.50 1 d PG A 2 H12' H 0.3646 0.6530 0.7918 0.107 Uiso 0.50 1 calc PR A 2 C13' C 0.4203(3) 0.6864(3) 0.7983(4) 0.063(3) Uiso 0.50 1 d PG A 2 H13' H 0.4079 0.7141 0.7957 0.076 Uiso 0.50 1 calc PR A 2 C14 C 0.49264(10) 0.74621(12) 0.86299(9) 0.0507(15) Uani 1 1 d G A . C15 C 0.51720(13) 0.73113(15) 0.89694(11) 0.067(2) Uani 1 1 d G . . H15 H 0.5385 0.7099 0.8921 0.080 Uiso 1 1 calc R A . C16 C 0.51067(14) 0.74713(16) 0.93797(9) 0.073(2) Uani 1 1 d G A . H16 H 0.5275 0.7368 0.9612 0.088 Uiso 1 1 calc R . . C17 C 0.47957(15) 0.77820(15) 0.94507(8) 0.0626(19) Uani 1 1 d G . . H17 H 0.4751 0.7891 0.9731 0.075 Uiso 1 1 calc R A . C18 C 0.45501(15) 0.79327(15) 0.91112(10) 0.071(2) Uani 1 1 d G A . H18 H 0.4338 0.8145 0.9160 0.085 Uiso 1 1 calc R . . C19 C 0.46154(11) 0.77728(13) 0.87008(9) 0.066(2) Uani 1 1 d G . . H19 H 0.4448 0.7876 0.8469 0.080 Uiso 1 1 calc R A . C20 C 0.4777(2) 0.7600(2) 0.77270(8) 0.073(2) Uani 1 1 d G . . H20A H 0.4479 0.7662 0.7818 0.088 Uiso 1 1 calc R . . H20B H 0.4939 0.7872 0.7725 0.088 Uiso 1 1 calc R . . C21 C 0.6020(10) 0.6024(11) 0.9472(10) 0.087(8) Uiso 0.33 1 d P A . H21 H 0.6219 0.6268 0.9528 0.105 Uiso 0.33 1 calc PR . . C22 C 0.5558(18) 0.6161(19) 0.9714(19) 0.17(2) Uiso 0.33 1 d P . . H22A H 0.5443 0.6421 0.9580 0.248 Uiso 0.33 1 calc PR A . H22B H 0.5612 0.6216 1.0018 0.248 Uiso 0.33 1 calc PR . . H22C H 0.5351 0.5927 0.9684 0.248 Uiso 0.33 1 calc PR . . C23 C 0.6260(18) 0.5603(18) 0.9666(17) 0.157(18) Uiso 0.33 1 d P . . H23A H 0.6524 0.5550 0.9505 0.235 Uiso 0.33 1 calc PR A . H23B H 0.6071 0.5354 0.9642 0.235 Uiso 0.33 1 calc PR . . H23C H 0.6330 0.5653 0.9968 0.235 Uiso 0.33 1 calc PR . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Ag2 0.0413(2) 0.0571(3) 0.0429(2) -0.01332(19) 0.01257(18) -0.01440(19) Ag1 0.0411(2) 0.0745(3) 0.0417(2) -0.0151(2) 0.00056(18) -0.0226(2) P1 0.0197(6) 0.0197(6) 0.0197(6) 0.000 0.000 0.000 P3 0.0489(6) 0.0489(6) 0.0489(6) 0.0135(6) 0.0135(6) -0.0135(6) P2 0.0410(8) 0.0789(11) 0.0411(8) -0.0272(8) 0.0150(6) -0.0214(8) S3 0.0757(12) 0.0813(13) 0.0464(9) 0.0028(8) 0.0102(8) -0.0102(10) S4 0.121(2) 0.121(2) 0.121(2) 0.0483(15) 0.0483(15) -0.0483(15) S1 0.0244(3) 0.0244(3) 0.0244(3) 0.0016(4) -0.0016(4) 0.0016(4) S2 0.0309(6) 0.0374(6) 0.0377(6) -0.0082(5) 0.0021(5) -0.0033(5) C1 0.026(2) 0.040(3) 0.039(3) -0.007(2) 0.0029(19) -0.0024(19) C2 0.028(2) 0.038(3) 0.040(3) 0.000(2) -0.0011(19) -0.002(2) C3 0.039(3) 0.056(3) 0.035(3) -0.004(2) -0.003(2) -0.001(3) C4 0.037(3) 0.056(4) 0.055(4) -0.012(3) -0.009(2) -0.006(3) C5 0.033(3) 0.062(4) 0.054(3) -0.006(3) 0.002(2) -0.019(3) C6 0.037(3) 0.052(3) 0.040(3) -0.006(2) 0.010(2) -0.013(2) C7 0.065(5) 0.087(6) 0.064(5) -0.016(4) -0.009(4) -0.036(4) C14 0.034(3) 0.076(4) 0.042(3) -0.016(3) 0.011(2) -0.019(3) C15 0.059(4) 0.099(6) 0.043(3) -0.023(4) 0.012(3) -0.001(4) C16 0.069(5) 0.105(6) 0.045(3) -0.022(4) 0.005(3) 0.004(5) C17 0.070(4) 0.083(5) 0.035(3) -0.015(3) 0.013(3) -0.016(4) C18 0.078(5) 0.085(5) 0.050(4) -0.023(4) 0.005(3) -0.002(4) C19 0.071(5) 0.088(5) 0.040(3) -0.021(3) 0.007(3) -0.005(4) C20 0.070(5) 0.114(7) 0.036(3) -0.033(4) 0.004(3) 0.013(4) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 Ag2 P2 2.4334(17) . Ag2 S3 2.628(2) . Ag2 S2 2.7048(14) . Ag2 S2 2.7369(14) 16_566 Ag2 Ag1 3.2776(8) 16_566 Ag1 S2 2.4861(14) . Ag1 S1 2.5482(8) . Ag1 S2 2.5703(14) 9 Ag1 S3 2.720(2) 9 Ag1 Ag2 3.2777(8) 16_566 P1 S1 2.0464(17) 38_665 P1 S1 2.0465(17) . P1 S1 2.0465(17) 27_656 P1 S1 2.0465(17) 16_566 P3 S3 2.016(2) . P3 S3 2.016(2) 32_656 P3 S3 2.016(2) 23_566 P3 S4 2.085(4) . P2 C8' 1.740(7) . P2 C20 1.830(6) . P2 C14 1.836(3) . P2 C8 1.917(7) . S3 Ag1 2.720(2) 5 S4 C21 1.46(3) 23_566 S4 C21 1.46(3) . S4 C21 1.46(3) 32_656 S1 Ag1 2.5483(8) 18_566 S1 Ag1 2.5483(8) 48_665 S2 C1 1.787(2) . S2 Ag1 2.5704(14) 5 S2 Ag2 2.7369(14) 16_566 C1 C2 1.3900 . C1 C6 1.3900 . C2 C3 1.3900 . C3 C4 1.3900 . C4 C5 1.3900 . C4 C7 1.5330 . C5 C6 1.3900 . C8 C9 1.3900 . C8 C13 1.3900 . C9 C10 1.3900 . C10 C11 1.3900 . C11 C12 1.3900 . C12 C13 1.3900 . C8' C9' 1.3900 . C8' C13' 1.3900 . C9' C10' 1.3900 . C10' C11' 1.3900 . C11' C12' 1.3900 . C12' C13' 1.3900 . C14 C15 1.3900 . C14 C19 1.3900 . C15 C16 1.3900 . C16 C17 1.3900 . C17 C18 1.3900 . C18 C19 1.3900 . C20 C20 1.548(7) 16_566 C21 C23 1.63(6) . C21 C22 1.68(6) . 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 P2 Ag2 S3 121.22(7) . . P2 Ag2 S2 121.07(5) . . S3 Ag2 S2 86.97(5) . . P2 Ag2 S2 99.50(5) . 16_566 S3 Ag2 S2 137.04(6) . 16_566 S2 Ag2 S2 82.78(4) . 16_566 P2 Ag2 Ag1 128.34(4) . 16_566 S3 Ag2 Ag1 92.57(5) . 16_566 S2 Ag2 Ag1 96.33(3) . 16_566 S2 Ag2 Ag1 47.79(3) 16_566 16_566 S2 Ag1 S1 112.15(4) . . S2 Ag1 S2 130.43(6) . 9 S1 Ag1 S2 106.50(3) . 9 S2 Ag1 S3 115.01(6) . 9 S1 Ag1 S3 98.46(6) . 9 S2 Ag1 S3 87.82(6) 9 9 S2 Ag1 Ag2 54.63(3) . 16_566 S1 Ag1 Ag2 91.49(3) . 16_566 S2 Ag1 Ag2 153.00(4) 9 16_566 S3 Ag1 Ag2 69.39(5) 9 16_566 S1 P1 S1 109.467(1) 38_665 . S1 P1 S1 109.477(1) 38_665 27_656 S1 P1 S1 109.470(1) . 27_656 S1 P1 S1 109.5 38_665 16_566 S1 P1 S1 109.5 . 16_566 S1 P1 S1 109.466(1) 27_656 16_566 S3 P3 S3 113.27(7) . 32_656 S3 P3 S3 113.27(7) . 23_566 S3 P3 S3 113.28(7) 32_656 23_566 S3 P3 S4 105.33(9) . . S3 P3 S4 105.33(9) 32_656 . S3 P3 S4 105.33(9) 23_566 . C8' P2 C20 96.0(4) . . C8' P2 C14 105.6(3) . . C20 P2 C14 104.0(2) . . C8' P2 C8 15.8(4) . . C20 P2 C8 111.5(4) . . C14 P2 C8 103.7(3) . . C8' P2 Ag2 121.6(3) . . C20 P2 Ag2 112.0(2) . . C14 P2 Ag2 114.78(13) . . C8 P2 Ag2 110.5(3) . . P3 S3 Ag2 102.02(9) . . P3 S3 Ag1 112.09(11) . 5 Ag2 S3 Ag1 83.49(6) . 5 C21 S4 C21 96.9(18) 23_566 . C21 S4 C21 96.9(18) 23_566 32_656 C21 S4 C21 96.9(18) . 32_656 C21 S4 P3 120.2(14) 23_566 . C21 S4 P3 120.2(14) . . C21 S4 P3 120.2(14) 32_656 . P1 S1 Ag1 110.15(4) . . P1 S1 Ag1 110.15(4) . 18_566 Ag1 S1 Ag1 108.78(4) . 18_566 P1 S1 Ag1 110.15(4) . 48_665 Ag1 S1 Ag1 108.78(4) . 48_665 Ag1 S1 Ag1 108.78(4) 18_566 48_665 C1 S2 Ag1 112.58(11) . . C1 S2 Ag1 107.80(13) . 5 Ag1 S2 Ag1 84.55(5) . 5 C1 S2 Ag2 109.67(11) . . Ag1 S2 Ag2 137.69(5) . . Ag1 S2 Ag2 84.89(4) 5 . C1 S2 Ag2 110.98(13) . 16_566 Ag1 S2 Ag2 77.57(4) . 16_566 Ag1 S2 Ag2 141.05(5) 5 16_566 Ag2 S2 Ag2 85.58(4) . 16_566 C2 C1 C6 120.0 . . C2 C1 S2 121.23(17) . . C6 C1 S2 118.77(17) . . C1 C2 C3 120.0 . . C4 C3 C2 120.0 . . C5 C4 C3 120.0 . . C5 C4 C7 119.2 . . C3 C4 C7 120.8 . . C4 C5 C6 120.0 . . C5 C6 C1 120.0 . . C9 C8 C13 120.0 . . C9 C8 P2 122.6(5) . . C13 C8 P2 117.4(5) . . C8 C9 C10 120.0 . . C11 C10 C9 120.0 . . C12 C11 C10 120.0 . . C13 C12 C11 120.0 . . C12 C13 C8 120.0 . . C9' C8' C13' 120.0 . . C9' C8' P2 111.4(6) . . C13' C8' P2 128.6(6) . . C8' C9' C10' 120.0 . . C11' C10' C9' 120.0 . . C10' C11' C12' 120.0 . . C13' C12' C11' 120.0 . . C12' C13' C8' 120.0 . . C15 C14 C19 120.0 . . C15 C14 P2 117.06(18) . . C19 C14 P2 122.92(17) . . C16 C15 C14 120.0 . . C17 C16 C15 120.0 . . C16 C17 C18 120.0 . . C19 C18 C17 120.0 . . C18 C19 C14 120.0 . . C20 C20 P2 109.0(7) 16_566 . S4 C21 C23 110(3) . . S4 C21 C22 114(3) . . C23 C21 C22 116(3) . .