Supplementary Material (ESI) for Chemical Communications This journal is © The Royal Society of Chemistry 2001 data_md500b1 _database_code_CSD 164463 _journal_coden_Cambridge 182 _publ_requested_journal 'Chemical Communications' loop_ _publ_author_name 'Merz, K.' 'Pietschnig, Rudolf' _publ_contact_author_name 'Dr Rudolf Pietschnig' _publ_contact_author_address ; Dr Rudolf Pietschnig Lehrstuhl fur Anorganische Chemie I Ruhr-Universitat Bochum Universitatsstrabe 150 Bochum 44780 GERMANY ; _publ_contact_author_email 'RUDOLF.PIETSCHNIG@RUHR-UNI-BOCHUM.DE' _publ_section_title ; The first polymer with a fluoro silicate backbone and a non-polar shell ; _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_sum 'C25.50 H28 F4 K O0.50 Si' _chemical_formula_weight 485.67 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' 'F' 'F' 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Si' 'Si' 0.0817 0.0704 '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' 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting 'monoclinic' _symmetry_space_group_name_H-M 'C2/c' 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' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z-1/2' _cell_length_a 27.63(2) _cell_length_b 11.432(12) _cell_length_c 17.03(2) _cell_angle_alpha 90.00 _cell_angle_beta 111.50(4) _cell_angle_gamma 90.00 _cell_volume 5005(10) _cell_formula_units_Z 8 _cell_measurement_temperature 203(2) _cell_measurement_reflns_used 79 _cell_measurement_theta_min 3.26 _cell_measurement_theta_max 19.28 _exptl_crystal_description ? _exptl_crystal_colour ? _exptl_crystal_size_max 0.1 _exptl_crystal_size_mid 0.2 _exptl_crystal_size_min 0.1 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.289 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2032 _exptl_absorpt_coefficient_mu 0.303 _exptl_absorpt_correction_type empirical _exptl_absorpt_correction_T_min 0.679979 _exptl_absorpt_correction_T_max 1.000000 _exptl_special_details ; ? ; _diffrn_ambient_temperature 203(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Bruker axs CCD 1000' _diffrn_measurement_method 'omega-scan' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 12812 _diffrn_reflns_av_R_equivalents 0.1068 _diffrn_reflns_av_sigmaI/netI 0.1167 _diffrn_reflns_limit_h_min -28 _diffrn_reflns_limit_h_max 32 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_l_min -18 _diffrn_reflns_limit_l_max 20 _diffrn_reflns_theta_min 1.58 _diffrn_reflns_theta_max 25.12 _reflns_number_total 4431 _reflns_number_gt 2282 _reflns_threshold_expression >2sigma(I) computing_data_collection 'SMART' _computing_cell_refinement 'SMART' _computing_data_reduction 'SAINT' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'BRUKER axs SHELXTL-PLUS' _computing_publication_material 'SHELXL-97' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ 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 w=1/[\s^2^(Fo^2^)+(0.0584P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/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 none _refine_ls_extinction_coef ? _refine_ls_number_reflns 4431 _refine_ls_number_parameters 292 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.1281 _refine_ls_R_factor_gt 0.0557 _refine_ls_wR_factor_ref 0.1388 _refine_ls_wR_factor_gt 0.1142 _refine_ls_goodness_of_fit_ref 0.914 _refine_ls_restrained_S_all 0.914 _refine_ls_shift/su_max 0.024 _refine_ls_shift/su_mean 0.002 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_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group K1 K -0.2500 0.2500 0.0000 0.0556(4) Uani 1 d S . . Si1 Si -0.13647(4) 0.16595(9) 0.17312(6) 0.0359(3) Uani 1 d . . . F1 F -0.08038(8) 0.09856(17) 0.18572(12) 0.0424(6) Uani 1 d . . . C1 C -0.15351(15) 0.0548(3) 0.2410(2) 0.0340(9) Uani 1 d . . . K2 K 0.0000 0.24728(11) 0.2500 0.0460(4) Uani 1 d S . . F2 F -0.19254(8) 0.23907(17) 0.15764(12) 0.0419(5) Uani 1 d . . . C2 C -0.19594(15) -0.0229(3) 0.2069(2) 0.0363(9) Uani 1 d . . . F3 F -0.15399(8) 0.15542(19) 0.07128(12) 0.0472(6) Uani 1 d . . . C3 C -0.20933(16) -0.0994(3) 0.2593(3) 0.0490(11) Uani 1 d . . . H3A H -0.2368 -0.1525 0.2356 0.059 Uiso 1 calc R . . F4 F -0.10430(8) 0.28565(18) 0.20877(13) 0.0485(6) Uani 1 d . . . C4 C -0.18284(18) -0.0984(4) 0.3452(3) 0.0524(12) Uani 1 d . . . H4A H -0.1932 -0.1478 0.3803 0.063 Uiso 1 calc R . . C5 C -0.14121(17) -0.0248(4) 0.3792(2) 0.0452(11) Uani 1 d . . . H5A H -0.1228 -0.0252 0.4378 0.054 Uiso 1 calc R . . C6 C -0.12579(15) 0.0503(3) 0.3288(2) 0.0358(9) Uani 1 d . . . C7 C -0.22744(16) -0.0285(3) 0.1145(2) 0.0373(10) Uani 1 d . . . C8 C -0.20867(17) -0.0863(3) 0.0588(3) 0.0449(10) Uani 1 d . . . C9 C -0.2401(2) -0.0904(4) -0.0271(3) 0.0528(12) Uani 1 d . . . H9A H -0.2273 -0.1278 -0.0647 0.063 Uiso 1 calc R . . C10 C -0.28887(19) -0.0417(4) -0.0581(2) 0.0487(11) Uani 1 d . . . C11 C -0.30701(17) 0.0141(3) -0.0023(2) 0.0441(11) Uani 1 d . . . H11A H -0.3452 0.0179 -0.0186 0.053 Uiso 1 calc R . . C12 C -0.27739(16) 0.0204(3) 0.0834(2) 0.0377(10) Uani 1 d . . . C13 C -0.15560(18) -0.1422(4) 0.0891(3) 0.0596(12) Uani 1 d . . . H13A H -0.1495 -0.1770 0.0416 0.089 Uiso 1 calc R . . H13B H -0.1538 -0.2024 0.1302 0.089 Uiso 1 calc R . . H13C H -0.1293 -0.0833 0.1150 0.089 Uiso 1 calc R . . C14 C -0.3210(2) -0.0459(4) -0.1520(3) 0.0731(15) Uani 1 d . . . H14A H -0.3319 -0.1258 -0.1684 0.110 Uiso 1 calc R . . H14B H -0.3002 -0.0180 -0.1833 0.110 Uiso 1 calc R . . H14C H -0.3515 0.0034 -0.1642 0.110 Uiso 1 calc R . . C15 C -0.29890(16) 0.0818(4) 0.1414(2) 0.0486(11) Uani 1 d . . . H15A H -0.3098 0.0243 0.1734 0.073 Uiso 1 calc R . . H15B H -0.3285 0.1291 0.1084 0.073 Uiso 1 calc R . . H15C H -0.2723 0.1316 0.1799 0.073 Uiso 1 calc R . . C16 C -0.07813(15) 0.1238(3) 0.3715(2) 0.0348(9) Uani 1 d . . . C17 C -0.02861(16) 0.0764(3) 0.3885(2) 0.0374(10) Uani 1 d . . . C18 C 0.01527(16) 0.1439(4) 0.4306(2) 0.0460(11) Uani 1 d . . . H18A H 0.0481 0.1015 0.4607 0.055 Uiso 1 calc R . . C19 C 0.01124(18) 0.2572(4) 0.4571(3) 0.0532(11) Uani 1 d . . . C20 C -0.03805(19) 0.3019(4) 0.4398(2) 0.0499(11) Uani 1 d . . . H20A H -0.0413 0.3787 0.4569 0.060 Uiso 1 calc R . . C21 C -0.08293(16) 0.2382(3) 0.3982(2) 0.0401(10) Uani 1 d . . . C22 C -0.02156(17) -0.0446(3) 0.3610(2) 0.0477(11) Uani 1 d . . . H22A H -0.0289 -0.1011 0.3976 0.072 Uiso 1 calc R . . H22B H 0.0140 -0.0543 0.3643 0.072 Uiso 1 calc R . . H22C H -0.0452 -0.0567 0.3033 0.072 Uiso 1 calc R . . C23 C 0.0593(2) 0.3278(5) 0.5024(3) 0.0845(17) Uani 1 d . . . H23A H 0.0645 0.3333 0.5617 0.127 Uiso 1 calc R . . H23B H 0.0553 0.4057 0.4782 0.127 Uiso 1 calc R . . H23C H 0.0892 0.2900 0.4964 0.127 Uiso 1 calc R . . C24 C -0.13549(17) 0.2917(4) 0.3818(3) 0.0589(12) Uani 1 d . . . H24A H -0.1311 0.3704 0.4047 0.088 Uiso 1 calc R . . H24B H -0.1542 0.2447 0.4088 0.088 Uiso 1 calc R . . H24C H -0.1550 0.2944 0.3215 0.088 Uiso 1 calc R . . O1 O 0.0000 0.4780(5) 0.2500 0.174(4) Uani 1 d S . . C25 C 0.0000 0.5747(9) 0.2500 0.117(4) Uani 1 d S . . C26 C 0.0153(8) 0.6470(11) 0.3226(7) 0.373(12) Uani 1 d . . . H26A H 0.0327 0.6000 0.3724 0.560 Uiso 1 calc R . . H26B H -0.0152 0.6835 0.3274 0.560 Uiso 1 calc R . . H26C H 0.0389 0.7070 0.3178 0.560 Uiso 1 calc R . . 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 K1 0.0404(8) 0.0623(9) 0.0500(8) 0.0250(7) -0.0002(6) -0.0080(7) Si1 0.0327(6) 0.0394(6) 0.0326(6) 0.0062(5) 0.0083(5) -0.0029(5) F1 0.0349(13) 0.0507(13) 0.0428(12) 0.0068(11) 0.0158(10) 0.0026(11) C1 0.034(2) 0.033(2) 0.034(2) 0.0043(17) 0.0106(18) 0.0055(18) K2 0.0360(7) 0.0473(8) 0.0468(8) 0.000 0.0061(6) 0.000 F2 0.0356(12) 0.0427(12) 0.0437(12) 0.0098(10) 0.0103(10) 0.0049(11) C2 0.037(2) 0.032(2) 0.038(2) 0.0047(18) 0.012(2) 0.0002(19) F3 0.0469(14) 0.0599(14) 0.0320(12) 0.0045(11) 0.0111(10) -0.0029(12) C3 0.048(3) 0.043(2) 0.052(3) 0.005(2) 0.014(2) -0.012(2) F4 0.0415(14) 0.0419(12) 0.0540(14) 0.0083(11) 0.0081(11) -0.0045(11) C4 0.063(3) 0.047(3) 0.053(3) 0.017(2) 0.028(3) -0.008(2) C5 0.049(3) 0.052(3) 0.032(2) 0.011(2) 0.011(2) 0.002(2) C6 0.035(2) 0.036(2) 0.034(2) 0.0045(18) 0.0092(19) 0.0080(19) C7 0.042(3) 0.032(2) 0.039(2) 0.0014(18) 0.017(2) -0.008(2) C8 0.049(3) 0.038(2) 0.049(3) 0.002(2) 0.020(2) -0.004(2) C9 0.074(4) 0.047(3) 0.046(3) -0.008(2) 0.032(3) -0.008(3) C10 0.062(3) 0.044(3) 0.036(2) -0.002(2) 0.012(2) -0.013(2) C11 0.040(3) 0.043(2) 0.045(3) 0.001(2) 0.010(2) -0.014(2) C12 0.042(3) 0.033(2) 0.037(2) 0.0023(18) 0.013(2) -0.008(2) C13 0.062(3) 0.052(3) 0.069(3) -0.009(2) 0.029(3) 0.005(3) C14 0.096(4) 0.073(3) 0.041(3) -0.001(3) 0.014(3) -0.007(3) C15 0.040(3) 0.057(3) 0.046(3) -0.004(2) 0.013(2) -0.003(2) C16 0.038(2) 0.038(2) 0.025(2) 0.0060(17) 0.0079(18) 0.0040(19) C17 0.042(3) 0.043(2) 0.024(2) 0.0047(18) 0.0092(18) 0.007(2) C18 0.036(2) 0.059(3) 0.034(2) 0.013(2) 0.0028(19) 0.008(2) C19 0.048(3) 0.064(3) 0.043(3) -0.002(2) 0.011(2) -0.008(3) C20 0.063(3) 0.039(2) 0.048(3) -0.010(2) 0.021(2) -0.003(2) C21 0.047(3) 0.039(2) 0.035(2) 0.0033(19) 0.015(2) 0.007(2) C22 0.048(3) 0.054(3) 0.041(2) 0.007(2) 0.016(2) 0.013(2) C23 0.064(4) 0.096(4) 0.077(4) -0.012(3) 0.007(3) -0.023(3) C24 0.057(3) 0.055(3) 0.063(3) 0.003(2) 0.020(2) 0.017(2) O1 0.169(8) 0.042(3) 0.353(13) 0.000 0.146(8) 0.000 C25 0.177(11) 0.065(6) 0.131(9) 0.000 0.083(8) 0.000 C26 0.69(4) 0.244(14) 0.179(11) -0.066(10) 0.147(17) 0.141(18) _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 K1 F2 2.573(4) 7_455 ? K1 F2 2.573(4) . ? K1 F3 2.705(3) . ? K1 F3 2.705(3) 7_455 ? K1 C11 3.116(4) 7_455 ? K1 C11 3.116(4) . ? K1 C12 3.204(4) 7_455 ? K1 C12 3.204(4) . ? K1 C10 3.531(5) 7_455 ? K1 C10 3.532(5) . ? K1 Si1 3.560(3) . ? K1 Si1 3.560(3) 7_455 ? Si1 F4 1.623(3) . ? Si1 F3 1.625(3) . ? Si1 F1 1.672(3) . ? Si1 F2 1.694(3) . ? Si1 C1 1.891(4) . ? Si1 K2 3.630(3) . ? F1 K2 2.690(3) . ? C1 C6 1.409(5) . ? C1 C2 1.414(5) . ? K2 O1 2.638(7) . ? K2 F1 2.690(3) 2 ? K2 F4 2.740(3) 2 ? K2 F4 2.740(3) . ? K2 C18 3.176(5) 2 ? K2 C18 3.176(5) . ? K2 C17 3.372(5) 2 ? K2 C17 3.373(5) . ? K2 C19 3.428(6) 2 ? K2 C19 3.428(6) . ? K2 Si1 3.630(3) 2 ? C2 C3 1.393(5) . ? C2 C7 1.494(5) . ? C3 C4 1.375(6) . ? C4 C5 1.370(6) . ? C5 C6 1.387(5) . ? C6 C16 1.505(5) . ? C7 C12 1.400(5) . ? C7 C8 1.403(5) . ? C8 C9 1.401(6) . ? C8 C13 1.507(6) . ? C9 C10 1.372(6) . ? C10 C11 1.381(6) . ? C10 C14 1.520(6) . ? C11 C12 1.390(5) . ? C12 C15 1.500(5) . ? C16 C17 1.400(5) . ? C16 C21 1.406(5) . ? C17 C18 1.393(5) . ? C17 C22 1.495(5) . ? C18 C19 1.390(6) . ? C19 C20 1.381(6) . ? C19 C23 1.504(6) . ? C20 C21 1.388(6) . ? C21 C24 1.505(6) . ? O1 C25 1.105(9) . ? C25 C26 1.417(11) 2 ? C25 C26 1.417(11) . ? 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 F2 K1 F2 180.0 7_455 . ? F2 K1 F3 128.04(7) 7_455 . ? F2 K1 F3 51.96(7) . . ? F2 K1 F3 51.96(7) 7_455 7_455 ? F2 K1 F3 128.04(7) . 7_455 ? F3 K1 F3 180.0 . 7_455 ? F2 K1 C11 94.99(9) 7_455 7_455 ? F2 K1 C11 85.01(9) . 7_455 ? F3 K1 C11 86.12(11) . 7_455 ? F3 K1 C11 93.88(11) 7_455 7_455 ? F2 K1 C11 85.01(9) 7_455 . ? F2 K1 C11 94.99(9) . . ? F3 K1 C11 93.88(11) . . ? F3 K1 C11 86.12(11) 7_455 . ? C11 K1 C11 180.0 7_455 . ? F2 K1 C12 69.70(10) 7_455 7_455 ? F2 K1 C12 110.30(10) . 7_455 ? F3 K1 C12 100.04(10) . 7_455 ? F3 K1 C12 79.96(10) 7_455 7_455 ? C11 K1 C12 25.37(10) 7_455 7_455 ? C11 K1 C12 154.63(10) . 7_455 ? F2 K1 C12 110.30(10) 7_455 . ? F2 K1 C12 69.70(10) . . ? F3 K1 C12 79.96(10) . . ? F3 K1 C12 100.04(10) 7_455 . ? C11 K1 C12 154.63(10) 7_455 . ? C11 K1 C12 25.37(10) . . ? C12 K1 C12 179.998(1) 7_455 . ? F2 K1 C10 104.73(8) 7_455 7_455 ? F2 K1 C10 75.27(8) . 7_455 ? F3 K1 C10 95.99(11) . 7_455 ? F3 K1 C10 84.01(11) 7_455 7_455 ? C11 K1 C10 22.90(10) 7_455 7_455 ? C11 K1 C10 157.10(10) . 7_455 ? C12 K1 C10 41.74(11) 7_455 7_455 ? C12 K1 C10 138.26(11) . 7_455 ? F2 K1 C10 75.27(8) 7_455 . ? F2 K1 C10 104.73(8) . . ? F3 K1 C10 84.02(11) . . ? F3 K1 C10 95.98(11) 7_455 . ? C11 K1 C10 157.11(10) 7_455 . ? C11 K1 C10 22.90(10) . . ? C12 K1 C10 138.26(11) 7_455 . ? C12 K1 C10 41.74(11) . . ? C10 K1 C10 180.0 7_455 . ? F2 K1 Si1 153.72(5) 7_455 . ? F2 K1 Si1 26.28(5) . . ? F3 K1 Si1 25.74(5) . . ? F3 K1 Si1 154.26(5) 7_455 . ? C11 K1 Si1 86.29(9) 7_455 . ? C11 K1 Si1 93.71(9) . . ? C12 K1 Si1 107.99(9) 7_455 . ? C12 K1 Si1 72.01(9) . . ? C10 K1 Si1 86.43(9) 7_455 . ? C10 K1 Si1 93.57(9) . . ? F2 K1 Si1 26.28(5) 7_455 7_455 ? F2 K1 Si1 153.72(5) . 7_455 ? F3 K1 Si1 154.27(5) . 7_455 ? F3 K1 Si1 25.74(5) 7_455 7_455 ? C11 K1 Si1 93.71(9) 7_455 7_455 ? C11 K1 Si1 86.29(9) . 7_455 ? C12 K1 Si1 72.01(9) 7_455 7_455 ? C12 K1 Si1 107.99(9) . 7_455 ? C10 K1 Si1 93.57(9) 7_455 7_455 ? C10 K1 Si1 86.43(9) . 7_455 ? Si1 K1 Si1 180.0 . 7_455 ? F4 Si1 F3 111.69(12) . . ? F4 Si1 F1 89.19(13) . . ? F3 Si1 F1 90.14(12) . . ? F4 Si1 F2 89.20(13) . . ? F3 Si1 F2 88.44(12) . . ? F1 Si1 F2 177.30(11) . . ? F4 Si1 C1 124.24(16) . . ? F3 Si1 C1 124.03(16) . . ? F1 Si1 C1 92.22(15) . . ? F2 Si1 C1 90.48(15) . . ? F4 Si1 K1 106.11(10) . . ? F3 Si1 K1 46.27(10) . . ? F1 Si1 K1 136.40(10) . . ? F2 Si1 K1 42.27(9) . . ? C1 Si1 K1 110.29(14) . . ? F4 Si1 K2 45.20(8) . . ? F3 Si1 K2 105.52(10) . . ? F1 Si1 K2 44.00(9) . . ? F2 Si1 K2 134.39(10) . . ? C1 Si1 K2 114.22(13) . . ? K1 Si1 K2 135.47(5) . . ? Si1 F1 K2 110.42(13) . . ? C6 C1 C2 117.4(3) . . ? C6 C1 Si1 120.9(3) . . ? C2 C1 Si1 121.7(3) . . ? O1 K2 F1 129.19(6) . 2 ? O1 K2 F1 129.19(6) . . ? F1 K2 F1 101.61(12) 2 . ? O1 K2 F4 80.79(5) . 2 ? F1 K2 F4 50.44(8) 2 2 ? F1 K2 F4 147.06(8) . 2 ? O1 K2 F4 80.79(5) . . ? F1 K2 F4 147.06(8) 2 . ? F1 K2 F4 50.44(8) . . ? F4 K2 F4 161.57(10) 2 . ? O1 K2 C18 111.85(9) . 2 ? F1 K2 C18 87.46(11) 2 2 ? F1 K2 C18 64.78(10) . 2 ? F4 K2 C18 93.53(9) 2 2 ? F4 K2 C18 93.30(9) . 2 ? O1 K2 C18 111.85(9) . . ? F1 K2 C18 64.78(10) 2 . ? F1 K2 C18 87.46(11) . . ? F4 K2 C18 93.30(9) 2 . ? F4 K2 C18 93.53(9) . . ? C18 K2 C18 136.30(18) 2 . ? O1 K2 C17 125.40(8) . 2 ? F1 K2 C17 63.16(10) 2 2 ? F1 K2 C17 73.70(10) . 2 ? F4 K2 C17 77.17(9) 2 2 ? F4 K2 C17 114.06(9) . 2 ? C18 K2 C17 24.33(9) 2 2 ? C18 K2 C17 118.68(14) . 2 ? O1 K2 C17 125.40(8) . . ? F1 K2 C17 73.70(10) 2 . ? F1 K2 C17 63.16(10) . . ? F4 K2 C17 114.06(9) 2 . ? F4 K2 C17 77.17(9) . . ? C18 K2 C17 118.68(13) 2 . ? C18 K2 C17 24.33(9) . . ? C17 K2 C17 109.20(16) 2 . ? O1 K2 C19 88.11(8) . 2 ? F1 K2 C19 100.93(9) 2 2 ? F1 K2 C19 81.50(10) . 2 ? F4 K2 C19 87.05(10) 2 2 ? F4 K2 C19 92.35(10) . 2 ? C18 K2 C19 23.91(11) 2 2 ? C18 K2 C19 159.86(13) . 2 ? C17 K2 C19 41.87(11) 2 2 ? C17 K2 C19 141.53(12) . 2 ? O1 K2 C19 88.11(8) . . ? F1 K2 C19 81.50(10) 2 . ? F1 K2 C19 100.92(9) . . ? F4 K2 C19 92.35(10) 2 . ? F4 K2 C19 87.04(10) . . ? C18 K2 C19 159.86(13) 2 . ? C18 K2 C19 23.91(11) . . ? C17 K2 C19 141.53(12) 2 . ? C17 K2 C19 41.87(11) . . ? C19 K2 C19 176.21(16) 2 . ? O1 K2 Si1 104.84(3) . 2 ? F1 K2 Si1 25.58(5) 2 2 ? F1 K2 Si1 125.33(9) . 2 ? F4 K2 Si1 24.86(6) 2 2 ? F4 K2 Si1 171.63(5) . 2 ? C18 K2 Si1 90.33(9) 2 2 ? C18 K2 Si1 78.67(9) . 2 ? C17 K2 Si1 67.99(9) 2 2 ? C17 K2 Si1 94.47(9) . 2 ? C19 K2 Si1 94.02(9) 2 2 ? C19 K2 Si1 86.96(9) . 2 ? Si1 F2 K1 111.45(11) . . ? C3 C2 C1 120.4(3) . . ? C3 C2 C7 117.3(3) . . ? C1 C2 C7 122.3(3) . . ? Si1 F3 K1 107.99(11) . . ? C4 C3 C2 120.9(4) . . ? Si1 F4 K2 109.94(12) . . ? C5 C4 C3 119.5(4) . . ? C4 C5 C6 121.3(4) . . ? C5 C6 C1 120.5(4) . . ? C5 C6 C16 117.3(3) . . ? C1 C6 C16 122.1(3) . . ? C12 C7 C8 119.3(4) . . ? C12 C7 C2 119.6(3) . . ? C8 C7 C2 121.0(4) . . ? C9 C8 C7 118.7(4) . . ? C9 C8 C13 119.7(4) . . ? C7 C8 C13 121.5(4) . . ? C10 C9 C8 122.2(4) . . ? C9 C10 C11 118.4(4) . . ? C9 C10 C14 120.3(4) . . ? C11 C10 C14 121.3(4) . . ? C9 C10 K1 96.9(3) . . ? C11 C10 K1 61.4(2) . . ? C14 C10 K1 109.0(3) . . ? C10 C11 C12 121.6(4) . . ? C10 C11 K1 95.7(2) . . ? C12 C11 K1 80.9(2) . . ? C11 C12 C7 119.7(4) . . ? C11 C12 C15 119.6(4) . . ? C7 C12 C15 120.7(4) . . ? C11 C12 K1 73.8(2) . . ? C7 C12 K1 97.7(2) . . ? C15 C12 K1 97.1(2) . . ? C17 C16 C21 119.6(4) . . ? C17 C16 C6 120.0(3) . . ? C21 C16 C6 120.4(3) . . ? C18 C17 C16 119.5(4) . . ? C18 C17 C22 119.0(4) . . ? C16 C17 C22 121.5(4) . . ? C18 C17 K2 69.9(2) . . ? C16 C17 K2 95.3(2) . . ? C22 C17 K2 103.0(2) . . ? C19 C18 C17 121.7(4) . . ? C19 C18 K2 88.3(2) . . ? C17 C18 K2 85.8(2) . . ? C20 C19 C18 117.8(4) . . ? C20 C19 C23 121.8(4) . . ? C18 C19 C23 120.4(4) . . ? C20 C19 K2 94.7(3) . . ? C18 C19 K2 67.8(2) . . ? C23 C19 K2 106.0(3) . . ? C19 C20 C21 122.7(4) . . ? C20 C21 C16 118.7(4) . . ? C20 C21 C24 120.1(4) . . ? C16 C21 C24 121.1(4) . . ? C25 O1 K2 180.000(2) . . ? O1 C25 C26 125.7(6) . 2 ? O1 C25 C26 125.7(6) . . ? C26 C25 C26 108.6(13) 2 . ? _diffrn_measured_fraction_theta_max 0.469 _diffrn_reflns_theta_full 25.12 _diffrn_measured_fraction_theta_full 0.469 _refine_diff_density_max 0.340 _refine_diff_density_min -0.350 _refine_diff_density_rms 0.061