#------------------------------------------------------------------------------ #$Date: 2021-11-25 02:04:40 +0200 (Thu, 25 Nov 2021) $ #$Revision: 270870 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/70/89/7708921.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_7708921 loop_ _publ_author_name 'Gonzalez, Vanessa M.' 'Park, Gyeongjin' 'Yang, Mengxi' 'Gabba\"i, Fran\,cois P.' _publ_section_title ; Fluoride anion complexation and transport using a stibonium cation stabilized by an intramolecular PO \\rightarrow Sb pnictogen bond ; _journal_name_full 'Dalton Transactions' _journal_paper_doi 10.1039/D1DT03370K _journal_year 2021 _chemical_formula_moiety 'C36 H29 O P Sb, B F4' _chemical_formula_sum 'C36 H29 B F4 O P Sb' _chemical_formula_weight 717.12 _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _atom_sites_solution_hydrogens geom _audit_creation_date 2021-04-19 _audit_creation_method ; Olex2 1.2 (compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506) ; _audit_update_record ; 2021-08-30 deposited with the CCDC. 2021-11-12 downloaded from the CCDC. ; _cell_angle_alpha 90.978(2) _cell_angle_beta 109.420(2) _cell_angle_gamma 92.554(2) _cell_formula_units_Z 2 _cell_length_a 10.2656(7) _cell_length_b 12.2123(9) _cell_length_c 12.9782(9) _cell_measurement_reflns_used 9899 _cell_measurement_temperature 110.0 _cell_measurement_theta_max 30.558 _cell_measurement_theta_min 2.318 _cell_volume 1532.06(19) _computing_cell_refinement 'SAINT V8.38A (?, 2016)' _computing_data_reduction 'SAINT V8.38A (?, 2016)' _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'XL (Sheldrick, 2008)' _computing_structure_solution 'olex2.solve 1.3 (Bourhis et al., 2015)' _diffrn_ambient_temperature 110.0 _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.998 _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0396 _diffrn_reflns_av_unetI/netI 0.0308 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.998 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_l_max 18 _diffrn_reflns_limit_l_min -18 _diffrn_reflns_number 44983 _diffrn_reflns_point_group_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 0.998 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 30.034 _diffrn_reflns_theta_min 2.107 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 1.006 _exptl_absorpt_correction_T_max 0.3812 _exptl_absorpt_correction_T_min 0.3452 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0628 before and 0.0515 after correction. The Ratio of minimum to maximum transmission is 0.9056. The \l/2 correction factor is Not present.' _exptl_crystal_colour 'clear colourless' _exptl_crystal_colour_lustre clear _exptl_crystal_colour_primary colourless _exptl_crystal_density_diffrn 1.555 _exptl_crystal_description block _exptl_crystal_F_000 720 _exptl_crystal_size_max 0.142 _exptl_crystal_size_mid 0.123 _exptl_crystal_size_min 0.1 _refine_diff_density_max 0.513 _refine_diff_density_min -0.412 _refine_diff_density_rms 0.072 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.027 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 397 _refine_ls_number_reflns 8943 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.027 _refine_ls_R_factor_all 0.0295 _refine_ls_R_factor_gt 0.0240 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0157P)^2^+1.0542P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0506 _refine_ls_wR_factor_ref 0.0531 _reflns_Friedel_coverage 0.000 _reflns_number_gt 8079 _reflns_number_total 8943 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d1dt03370k2.cif _cod_data_source_block vg_0902_a_0m_a _cod_database_code 7708921 _shelx_shelxl_version_number 2018/3 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_estimated_absorpt_t_max 0.906 _shelx_estimated_absorpt_t_min 0.870 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups 2.a Aromatic/amide H refined with riding coordinates: C27(H27), C26(H26), C5(H5), C9(H9), C24(H24), C32(H32), C3(H3), C30(H30), C4(H4), C6(H6), C20(H20), C28(H28), C18(H18), C21(H21), C36(H36), C14(H14), C10(H10), C33(H33), C17(H17), C12(H12), C35(H35), C16(H16), C29(H29), C34(H34), C23(H23), C8(H8), C15(H15), C22(H22), C11(H11) ; _shelx_res_file ; TITL VG_0902_a_0m_a.res in P-1 vg_0902_a_0m_a.res created by SHELXL-2018/3 at 11:12:35 on 19-Apr-2021 REM Old TITL VG_0902_a_0m in P1 REM SHELXT solution in P-1 REM R1 0.051, Rweak 0.007, Alpha 0.039, Orientation as input REM Formula found by SHELXT: C36 B1 F4 O1 P1 Sb1 CELL 0.71073 10.2656 12.2123 12.9782 90.978 109.42 92.554 ZERR 2 0.0007 0.0009 0.0009 0.002 0.002 0.002 LATT 1 SFAC C H B F O P Sb UNIT 72 58 2 8 2 2 2 L.S. 10 PLAN 2 SIZE 0.142 0.123 0.1 TEMP -163.15 CONF BOND $H LIST 6 MORE -1 fmap 2 acta OMIT 0 1 1 REM REM REM WGHT 0.015700 1.054200 FVAR 0.56998 SB1 7 0.670813 0.324552 0.214913 11.00000 0.01231 0.01333 = 0.01380 0.00132 0.00350 0.00026 P1 6 0.440257 0.287966 0.348014 11.00000 0.01302 0.01418 = 0.01348 -0.00083 0.00428 -0.00037 F2 4 1.030224 0.019377 0.874406 11.00000 0.03616 0.04068 = 0.02104 0.00501 0.00948 0.00186 O1 5 0.577310 0.348352 0.362664 11.00000 0.01371 0.01714 = 0.01683 -0.00125 0.00471 -0.00129 F1 4 0.939505 -0.035890 0.696486 11.00000 0.03038 0.05705 = 0.03267 -0.01634 0.01135 -0.01871 F4 4 1.160251 0.033445 0.762440 11.00000 0.02873 0.04378 = 0.05063 -0.01829 0.02327 -0.01367 F3 4 0.984507 0.145296 0.744046 11.00000 0.08832 0.03572 = 0.04572 0.01585 0.04517 0.02140 C19 1 0.833615 0.280790 0.351822 11.00000 0.01213 0.01736 = 0.01356 0.00045 0.00382 0.00181 C2 1 0.403228 0.201769 0.227151 11.00000 0.01411 0.01355 = 0.01428 0.00056 0.00318 0.00094 C1 1 0.492753 0.213957 0.166089 11.00000 0.01410 0.01361 = 0.01554 -0.00002 0.00316 -0.00064 C27 1 0.222927 0.540716 0.394492 11.00000 0.02134 0.01812 = 0.02604 -0.00338 0.01112 -0.00025 AFIX 43 H27 2 0.229749 0.591760 0.452351 11.00000 -1.20000 AFIX 0 C13 1 0.748964 0.292689 0.085576 11.00000 0.01449 0.01782 = 0.01825 0.00084 0.00665 -0.00148 C26 1 0.312347 0.455714 0.411657 11.00000 0.01615 0.02054 = 0.01919 -0.00130 0.00539 -0.00124 AFIX 43 H26 2 0.379609 0.448121 0.481678 11.00000 -1.20000 AFIX 0 C31 1 0.447991 0.206055 0.462826 11.00000 0.01746 0.01299 = 0.01407 -0.00138 0.00499 0.00018 C25 1 0.303906 0.381329 0.326506 11.00000 0.01347 0.01476 = 0.01753 0.00098 0.00609 -0.00087 C5 1 0.353910 0.074642 0.036874 11.00000 0.02226 0.02002 = 0.01757 -0.00575 0.00432 -0.00057 AFIX 43 H5 2 0.336218 0.031904 -0.028662 11.00000 -1.20000 AFIX 0 C9 1 0.598312 0.671821 0.260413 11.00000 0.03090 0.01675 = 0.02305 -0.00292 0.00115 0.00205 AFIX 43 H9 2 0.551527 0.713203 0.298567 11.00000 -1.20000 AFIX 0 C24 1 0.831123 0.177278 0.394241 11.00000 0.02078 0.01703 = 0.02045 0.00107 0.00120 -0.00003 AFIX 43 H24 2 0.760617 0.123453 0.357197 11.00000 -1.20000 AFIX 0 C32 1 0.327847 0.162598 0.478267 11.00000 0.01800 0.01670 = 0.01715 -0.00175 0.00552 0.00005 AFIX 43 H32 2 0.239479 0.179868 0.430116 11.00000 -1.20000 AFIX 0 C3 1 0.290960 0.125382 0.193396 11.00000 0.01608 0.01640 = 0.01884 0.00119 0.00527 -0.00088 AFIX 43 H3 2 0.231398 0.116532 0.235503 11.00000 -1.20000 AFIX 0 C30 1 0.202926 0.391601 0.224556 11.00000 0.01989 0.02283 = 0.01758 -0.00108 0.00446 0.00214 AFIX 43 H30 2 0.195945 0.341085 0.166244 11.00000 -1.20000 AFIX 0 C4 1 0.266286 0.062089 0.097867 11.00000 0.01736 0.01569 = 0.02169 -0.00148 0.00283 -0.00227 AFIX 43 H4 2 0.189506 0.010356 0.074489 11.00000 -1.20000 AFIX 0 C6 1 0.467595 0.149400 0.070965 11.00000 0.01891 0.02052 = 0.01559 -0.00070 0.00569 0.00155 AFIX 43 H6 2 0.528083 0.156477 0.029456 11.00000 -1.20000 AFIX 0 C20 1 0.938597 0.359167 0.403535 11.00000 0.01771 0.02078 = 0.02184 0.00211 0.00603 -0.00391 AFIX 43 H20 2 0.940785 0.429255 0.373319 11.00000 -1.20000 AFIX 0 C28 1 0.123543 0.550920 0.292581 11.00000 0.02115 0.01959 = 0.03158 0.00417 0.01155 0.00473 AFIX 43 H28 2 0.062894 0.609496 0.280459 11.00000 -1.20000 AFIX 0 C18 1 0.865311 0.231063 0.105083 11.00000 0.02012 0.01714 = 0.01979 0.00078 0.00600 0.00186 AFIX 43 H18 2 0.909169 0.203915 0.175733 11.00000 -1.20000 AFIX 0 C21 1 1.040363 0.333421 0.500166 11.00000 0.01581 0.03215 = 0.02026 -0.00111 0.00274 -0.00534 AFIX 43 H21 2 1.113087 0.386028 0.535991 11.00000 -1.20000 AFIX 0 C36 1 0.577873 0.180542 0.533977 11.00000 0.01797 0.01872 = 0.01843 -0.00103 0.00472 0.00092 AFIX 43 H36 2 0.659415 0.210232 0.523361 11.00000 -1.20000 AFIX 0 C7 1 0.659816 0.497210 0.206625 11.00000 0.01510 0.01285 = 0.01909 0.00242 0.00056 -0.00021 C14 1 0.685076 0.331612 -0.018971 11.00000 0.01791 0.03191 = 0.02132 0.00599 0.00686 0.00416 AFIX 43 H14 2 0.604668 0.372451 -0.033281 11.00000 -1.20000 AFIX 0 C10 1 0.673757 0.725522 0.203553 11.00000 0.02673 0.01509 = 0.02890 0.00250 -0.00449 -0.00232 AFIX 43 H10 2 0.678439 0.803353 0.202708 11.00000 -1.20000 AFIX 0 C33 1 0.338777 0.093872 0.564710 11.00000 0.02526 0.01384 = 0.02461 -0.00087 0.01160 -0.00134 AFIX 43 H33 2 0.257559 0.064177 0.575843 11.00000 -1.20000 AFIX 0 C17 1 0.917054 0.209399 0.020959 11.00000 0.02057 0.02260 = 0.02857 -0.00179 0.01121 0.00318 AFIX 43 H17 2 0.995555 0.166476 0.034132 11.00000 -1.20000 AFIX 0 C12 1 0.735753 0.551320 0.149525 11.00000 0.02054 0.02038 = 0.03450 0.00610 0.01077 0.00030 AFIX 43 H12 2 0.783186 0.510399 0.111555 11.00000 -1.20000 AFIX 0 C35 1 0.587774 0.111808 0.620185 11.00000 0.02435 0.01923 = 0.01958 0.00105 0.00393 0.00531 AFIX 43 H35 2 0.675870 0.094544 0.668801 11.00000 -1.20000 AFIX 0 C16 1 0.855113 0.249865 -0.081775 11.00000 0.02644 0.03117 = 0.02457 -0.00141 0.01479 -0.00072 AFIX 43 H16 2 0.892111 0.236012 -0.138511 11.00000 -1.20000 AFIX 0 C29 1 0.112600 0.476033 0.208660 11.00000 0.02051 0.02697 = 0.02165 0.00374 0.00364 0.00629 AFIX 43 H29 2 0.042817 0.482336 0.139613 11.00000 -1.20000 AFIX 0 C34 1 0.467877 0.068518 0.634755 11.00000 0.03223 0.01404 = 0.02105 0.00351 0.01052 0.00404 AFIX 43 H34 2 0.474390 0.021057 0.693304 11.00000 -1.20000 AFIX 0 C23 1 0.932651 0.153445 0.491198 11.00000 0.02405 0.02248 = 0.02113 0.00633 0.00492 0.00464 AFIX 43 H23 2 0.931177 0.083217 0.521288 11.00000 -1.20000 AFIX 0 C8 1 0.590628 0.557639 0.261991 11.00000 0.02256 0.01737 = 0.01971 0.00044 0.00251 -0.00018 AFIX 43 H8 2 0.538386 0.521297 0.300699 11.00000 -1.20000 AFIX 0 C15 1 0.738795 0.310747 -0.101778 11.00000 0.02570 0.04058 = 0.02023 0.00799 0.01022 0.00458 AFIX 43 H15 2 0.695855 0.338208 -0.172433 11.00000 -1.20000 AFIX 0 C22 1 1.036193 0.231645 0.544328 11.00000 0.01560 0.03360 = 0.01465 0.00181 0.00364 0.00465 AFIX 43 H22 2 1.104625 0.215301 0.611379 11.00000 -1.20000 AFIX 0 C11 1 0.741842 0.665625 0.148336 11.00000 0.02568 0.02283 = 0.03598 0.00923 0.00695 -0.00449 AFIX 43 H11 2 0.793246 0.702376 0.109216 11.00000 -1.20000 AFIX 0 B1 3 1.028540 0.040159 0.769540 11.00000 0.02633 0.02484 = 0.02184 -0.00161 0.01164 -0.00375 HKLF 4 REM VG_0902_a_0m_a.res in P-1 REM wR2 = 0.053072, GooF = S = 1.02653, Restrained GooF = 1.02653 for all data REM R1 = 0.023985 for 8079 Fo > 4sig(Fo) and 0.029533 for all 8943 data REM 397 parameters refined using 0 restraints END WGHT 0.0152 1.0699 REM Highest difference peak 0.513, deepest hole -0.412, 1-sigma level 0.072 Q1 1 0.9253 0.0999 0.7176 11.00000 0.05 0.51 Q2 1 0.7775 0.3178 0.2932 11.00000 0.05 0.43 ; _shelx_res_checksum 39329 _shelx_hkl_file ; -1 0 0 958.30 28.60 -1 0 0 979.80 30.00 1 0 0 967.80 29.30 1 0 0 976.40 30.00 -2 0 0 172.38 8.60 -2 0 0 157.98 8.50 -2 0 0 173.98 8.20 -2 0 0 182.28 9.00 -2 0 0 166.98 5.70 2 0 0 163.08 8.40 2 0 0 161.68 8.40 2 0 0 170.18 8.00 2 0 0 169.98 8.90 2 0 0 176.28 5.70 -3 0 0 4234.18 126.59 -3 0 0 4285.77 120.49 -3 0 0 4237.28 125.39 -3 0 0 4705.93 128.49 -3 0 0 4401.06 127.49 -3 0 0 4345.06 127.49 3 0 0 4409.46 120.49 3 0 0 4429.56 127.89 3 0 0 4194.18 125.09 3 0 0 4345.77 126.89 -4 0 0 170.38 10.50 -4 0 0 170.78 11.70 -4 0 0 166.18 11.10 -4 0 0 189.88 12.60 -4 0 0 162.68 10.90 -4 0 0 160.78 6.10 4 0 0 180.88 12.10 4 0 0 155.38 9.90 4 0 0 162.28 6.10 4 0 0 160.98 11.10 4 0 0 136.79 11.90 -5 0 0 622.74 18.70 -5 0 0 547.45 27.50 -5 0 0 578.74 18.40 -5 0 0 645.94 28.80 -5 0 0 587.34 26.00 5 0 0 659.73 28.20 5 0 0 658.43 29.10 5 0 0 617.94 25.90 -6 0 0 811.12 33.70 -6 0 0 800.12 36.70 -6 0 0 852.31 37.00 6 0 0 767.02 34.90 6 0 0 782.92 36.00 -7 0 0 49.80 9.70 -7 0 0 49.20 9.20 -7 0 0 35.30 8.30 7 0 0 48.80 10.40 7 0 0 57.79 10.30 -8 0 0 1526.45 60.19 -8 0 0 1212.18 55.79 -8 0 0 1303.57 52.79 8 0 0 1323.67 57.29 -9 0 0 716.33 41.20 -9 0 0 663.73 38.50 -9 0 0 714.13 40.50 9 0 0 685.13 39.20 9 0 0 696.93 37.60 -10 0 0 290.17 25.60 -10 0 0 290.67 22.80 -10 0 0 300.27 25.90 10 0 0 256.17 22.50 10 0 0 261.67 24.00 -11 0 0 458.15 30.80 -11 0 0 509.35 36.80 -11 0 0 525.65 37.00 11 0 0 507.75 33.90 11 0 0 406.66 33.60 -12 0 0 508.75 38.40 -12 0 0 450.65 32.30 -12 0 0 527.65 38.60 12 0 0 504.95 35.60 -13 0 0 71.39 14.10 -13 0 0 55.29 16.30 -13 0 0 83.59 18.50 13 0 0 46.40 14.00 13 -1 0 199.38 26.30 -13 1 0 141.29 24.30 -13 1 0 178.08 27.30 -13 1 0 191.58 19.70 12 -1 0 28.20 12.60 12 -1 0 -1.90 7.60 -12 1 0 0.00 8.50 -12 1 0 13.60 8.40 -12 1 0 14.90 8.10 11 -1 0 807.82 44.90 -11 1 0 827.92 42.60 -11 1 0 821.22 48.20 10 -1 0 291.87 24.20 10 -1 0 301.67 25.50 -10 1 0 300.57 27.50 -10 1 0 301.27 22.80 -10 1 0 331.67 26.50 9 -1 0 156.18 17.40 9 -1 0 153.38 16.10 -9 1 0 163.48 21.10 -9 1 0 131.69 19.10 -9 1 0 166.48 15.70 8 -1 0 446.56 27.40 8 -1 0 459.15 29.70 -8 1 0 479.95 26.60 -8 1 0 491.85 30.70 -8 1 0 551.44 31.30 7 -1 0 117.39 13.00 7 -1 0 109.69 11.60 -7 1 0 114.29 10.80 -7 1 0 120.79 12.90 -7 1 0 121.59 4.50 -7 1 0 117.09 16.10 6 -1 0 -2.20 3.00 6 -1 0 -1.60 1.80 -6 1 0 0.00 2.60 -6 1 0 0.10 2.40 -6 1 0 1.90 3.00 -6 1 0 -0.80 1.10 -6 1 0 2.10 1.10 5 -1 0 3152.68 98.49 5 -1 0 3098.19 95.79 5 -1 0 3069.39 100.59 -5 1 0 3319.77 100.79 -5 1 0 3097.99 89.09 -5 1 0 3094.49 89.49 -5 1 0 3182.18 101.59 -5 1 0 3195.98 96.89 4 -1 0 420.66 21.30 4 -1 0 385.96 20.20 4 -1 0 403.56 17.80 4 -1 0 382.96 18.70 -4 1 0 403.26 18.90 -4 1 0 423.36 20.90 -4 1 0 402.16 14.00 -4 1 0 395.26 14.30 -4 1 0 460.85 20.50 -4 1 0 400.76 18.00 -4 1 0 417.86 20.10 -4 1 0 416.46 19.00 3 -1 0 84.39 6.70 3 -1 0 85.79 6.20 3 -1 0 92.59 7.60 -3 1 0 84.69 4.60 -3 1 0 94.19 7.20 -3 1 0 100.29 7.10 -3 1 0 80.89 8.00 -3 1 0 97.89 5.10 -3 1 0 96.69 6.70 2 -1 0 1397.46 41.90 2 -1 0 1404.26 42.70 2 -1 0 1379.66 40.70 2 -1 0 1372.46 43.80 2 -1 0 1390.16 42.90 2 -1 0 1317.77 42.60 -2 1 0 1347.77 42.70 -2 1 0 1466.55 40.70 -2 1 0 1315.67 43.40 -2 1 0 1428.96 43.30 -2 1 0 1393.06 42.20 -2 1 0 1377.56 42.60 -2 1 0 1432.26 42.20 -2 1 0 1353.96 40.70 1 1 0 4008.20 110.49 1 1 0 3830.12 110.69 -2 -1 0 4286.87 119.79 -2 -1 0 4143.89 119.79 -2 -1 0 4155.18 116.09 -2 -1 0 4265.07 119.09 -2 -1 0 4235.98 118.79 -2 -1 0 4198.88 119.09 2 1 0 4204.18 118.89 2 1 0 4274.67 120.09 2 1 0 4069.69 115.89 2 1 0 4044.60 118.79 2 1 0 3903.41 119.19 -3 -1 0 368.06 12.80 -3 -1 0 387.76 16.80 -3 -1 0 408.96 17.40 -3 -1 0 393.26 16.60 -3 -1 0 356.76 18.40 -3 -1 0 374.16 17.30 3 1 0 353.96 17.10 3 1 0 395.46 17.30 3 1 0 367.56 16.70 3 1 0 388.16 16.30 3 1 0 375.26 12.70 -4 -1 0 2604.34 73.19 -4 -1 0 2645.04 82.19 -4 -1 0 2639.94 80.89 -4 -1 0 2511.85 80.89 -4 -1 0 2632.04 80.19 4 1 0 2537.25 72.99 4 1 0 2509.85 79.19 4 1 0 2565.44 81.49 -5 -1 0 757.52 23.70 -5 -1 0 758.52 33.30 -5 -1 0 809.62 31.90 -5 -1 0 745.43 32.90 5 1 0 766.62 23.50 5 1 0 799.12 33.20 5 1 0 801.42 33.40 -6 -1 0 10.90 4.70 -6 -1 0 14.10 4.20 -6 -1 0 12.50 5.50 6 1 0 8.60 4.20 6 1 0 11.60 4.80 -7 -1 0 231.98 18.50 -7 -1 0 210.08 15.80 -7 -1 0 203.78 17.50 7 1 0 202.68 17.00 7 1 0 201.68 17.00 -8 -1 0 30.60 7.50 -8 -1 0 22.50 8.10 -8 -1 0 28.30 8.90 8 1 0 37.00 8.50 8 1 0 26.60 9.00 -9 -1 0 754.32 38.20 -9 -1 0 792.52 42.30 -9 -1 0 698.93 40.20 9 1 0 743.43 41.00 9 1 0 804.92 41.30 -10 -1 0 153.88 17.20 -10 -1 0 161.88 22.40 -10 -1 0 122.09 19.20 10 1 0 178.98 18.90 10 1 0 167.88 22.60 -11 -1 0 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5 -8 94.59 15.20 8 5 -8 69.79 10.50 -8 -5 8 73.79 10.20 -8 -5 8 65.39 12.90 -8 -5 8 63.89 11.80 7 5 -8 979.60 41.20 7 5 -8 1003.40 45.30 -7 -5 8 948.01 45.10 -7 -5 8 1009.50 40.40 -7 -5 8 996.10 46.50 6 5 -8 1578.54 60.79 6 5 -8 1630.04 59.89 -6 -5 8 1657.73 58.29 -6 -5 8 1552.24 63.19 5 5 -8 -2.40 3.60 5 5 -8 2.40 3.50 -5 -5 8 4.30 4.10 -5 -5 8 -1.80 3.00 4 5 -8 704.63 30.40 4 5 -8 763.02 35.40 -4 -5 8 730.23 32.60 -4 -5 8 744.43 35.40 -4 -5 8 684.93 34.40 3 5 -8 1810.32 61.69 3 5 -8 1777.92 66.89 3 5 -8 2026.90 64.79 -3 -5 8 1710.83 65.19 -3 -5 8 1819.92 66.99 -3 -5 8 1702.33 58.29 -3 -5 8 1762.02 63.99 2 5 -8 13.80 5.70 2 5 -8 13.20 6.00 -2 -5 8 17.40 6.40 -2 -5 8 7.20 3.80 -2 -5 8 14.50 3.30 -2 -5 8 10.40 4.90 1 5 -8 1232.58 49.30 1 5 -8 1306.17 52.79 1 5 -8 1232.08 35.90 -1 -5 8 1280.57 50.99 -1 -5 8 1264.97 51.59 -1 -5 8 1248.88 50.39 0 5 -8 852.31 39.00 0 5 -8 841.82 40.90 0 -5 8 920.21 40.10 0 -5 8 937.61 41.10 0 -5 8 854.61 40.70 -1 5 -8 252.87 19.80 1 -5 8 288.07 24.40 -2 5 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787.82 33.70 -4 -3 8 716.63 34.60 -4 -3 8 749.23 30.10 3 3 -8 8.20 4.10 3 3 -8 6.30 3.10 3 3 -8 4.70 3.30 -3 -3 8 5.60 3.10 -3 -3 8 11.40 4.80 -3 -3 8 5.90 3.10 -3 -3 8 9.90 3.30 2 3 -8 440.76 22.00 2 3 -8 451.55 24.90 -2 -3 8 474.05 25.80 -2 -3 8 441.46 23.10 -2 -3 8 429.56 17.90 1 3 -8 521.05 26.80 1 3 -8 440.76 23.00 -1 -3 8 448.96 15.50 -1 -3 8 459.05 25.70 -1 -3 8 426.06 22.90 -1 -3 8 414.86 14.90 0 3 -8 47.40 9.70 0 3 -8 68.99 10.70 0 -3 8 47.70 8.60 0 -3 8 53.49 10.20 -1 3 -8 1682.13 64.59 -1 3 -8 1754.62 64.29 1 -3 8 1691.53 65.39 1 -3 8 1730.53 62.49 -2 3 -8 1823.12 66.99 -2 3 -8 1767.72 72.89 2 -3 8 1647.94 73.89 2 -3 8 1748.23 64.79 -3 3 -8 27.10 7.80 -3 3 -8 35.80 8.30 3 -3 8 25.70 6.50 3 -3 8 37.80 9.70 -4 3 -8 614.34 33.10 -4 3 -8 568.74 21.10 -4 3 -8 620.24 35.50 -4 3 -8 600.74 33.70 4 -3 8 671.93 35.00 4 -3 8 621.24 21.60 4 -3 8 645.14 36.70 -5 3 -8 714.33 40.00 -5 3 -8 776.12 38.30 -5 3 -8 763.82 40.70 -5 3 -8 642.64 26.50 5 -3 8 748.33 27.50 5 -3 8 811.02 43.60 5 -3 8 756.42 39.90 -6 3 -8 26.20 8.40 -6 3 -8 17.00 8.60 -6 3 -8 27.20 9.90 6 -3 8 37.90 11.80 6 -3 8 11.60 6.90 6 -3 8 24.60 6.00 -7 3 -8 144.69 20.90 -7 3 -8 136.69 18.00 7 -3 8 109.99 19.50 7 -3 8 112.89 11.30 -8 3 -8 65.09 15.00 -8 3 -8 61.49 12.10 -8 3 -8 68.29 14.30 8 -3 8 52.09 15.70 8 -3 8 69.39 11.20 -9 3 -8 215.88 28.30 -9 3 -8 131.59 17.70 -9 3 -8 152.18 24.20 9 -3 8 119.29 16.90 9 -3 8 235.08 30.70 10 -3 8 423.96 45.90 -14 -2 8 5.80 11.30 -14 -2 8 12.30 11.70 13 2 -8 315.67 29.50 -13 -2 8 274.87 26.90 -13 -2 8 320.57 29.60 12 2 -8 459.75 33.80 -12 -2 8 447.16 34.00 -12 -2 8 436.36 32.80 -11 -2 8 167.48 22.70 -11 -2 8 187.08 19.30 -11 -2 8 195.38 15.50 10 2 -8 176.68 18.70 10 2 -8 156.68 12.30 -10 -2 8 174.08 18.30 -10 -2 8 204.88 20.30 -10 -2 8 181.38 10.70 9 2 -8 513.35 24.60 9 2 -8 612.94 24.90 9 2 -8 532.15 21.20 9 2 -8 592.94 34.20 -9 -2 8 508.55 33.10 -9 -2 8 543.25 32.50 -9 -2 8 612.64 28.50 8 2 -8 58.39 8.60 8 2 -8 46.20 10.90 8 2 -8 57.29 6.50 -8 -2 8 55.89 11.70 -8 -2 8 60.79 11.40 7 2 -8 60.59 9.10 7 2 -8 63.19 11.60 7 2 -8 58.29 5.60 -7 -2 8 63.99 10.80 -7 -2 8 72.09 12.50 6 2 -8 1195.28 44.70 6 2 -8 1154.78 39.50 6 2 -8 1103.89 38.20 6 2 -8 1154.48 46.60 -6 -2 8 1154.58 46.60 -6 -2 8 1135.49 39.30 -6 -2 8 1176.98 49.80 5 2 -8 256.17 13.00 5 2 -8 275.47 17.60 5 2 -8 284.67 17.40 -5 -2 8 274.77 13.80 -5 -2 8 277.07 17.70 -5 -2 8 296.17 20.10 4 2 -8 608.14 23.30 4 2 -8 525.65 23.00 4 2 -8 545.15 25.00 4 2 -8 602.74 28.40 -4 -2 8 546.35 26.30 -4 -2 8 550.24 29.10 -4 -2 8 587.04 23.60 3 2 -8 1870.11 62.49 3 2 -8 1946.11 62.29 3 2 -8 2023.10 68.49 -3 -2 8 1917.71 64.69 -3 -2 8 1918.21 68.69 -3 -2 8 1829.22 61.69 2 2 -8 97.79 10.90 2 2 -8 109.49 9.40 2 2 -8 115.59 7.80 -2 -2 8 128.69 10.40 -2 -2 8 127.69 12.20 -2 -2 8 102.19 7.70 1 2 -8 389.36 23.70 1 2 -8 441.96 22.40 -1 -2 8 429.66 16.20 -1 -2 8 485.75 23.10 -1 -2 8 435.66 24.60 -1 -2 8 422.16 16.50 0 2 -8 1956.50 69.59 0 2 -8 1905.11 66.99 0 -2 8 1999.50 66.19 0 -2 8 1850.81 55.09 0 -2 8 1917.71 69.49 0 -2 8 1858.61 55.19 -1 2 -8 352.26 21.60 -1 2 -8 302.77 20.80 1 -2 8 329.17 11.10 1 -2 8 318.67 10.90 1 -2 8 316.27 19.40 1 -2 8 353.96 22.50 -2 2 -8 288.47 20.30 -2 2 -8 294.57 20.40 2 -2 8 273.77 20.60 2 -2 8 276.77 10.80 2 -2 8 269.67 18.30 2 -2 8 261.07 10.40 -3 2 -8 3.30 5.10 -3 2 -8 7.60 2.40 -3 2 -8 8.50 5.20 -3 2 -8 -0.10 3.70 3 -2 8 8.00 4.80 3 -2 8 15.30 6.40 3 -2 8 8.90 2.90 -4 2 -8 165.28 16.70 -4 2 -8 146.39 10.40 -4 2 -8 140.89 15.40 4 -2 8 180.78 16.40 4 -2 8 194.48 18.30 4 -2 8 159.48 10.40 -5 2 -8 500.45 32.30 -5 2 -8 575.84 31.30 -5 2 -8 501.75 31.60 5 -2 8 512.35 23.10 5 -2 8 512.45 33.50 5 -2 8 516.65 31.00 -6 2 -8 433.96 30.50 -6 2 -8 371.76 28.10 -6 2 -8 426.76 27.10 6 -2 8 394.56 30.00 6 -2 8 386.46 20.90 -7 2 -8 -2.30 4.70 -7 2 -8 13.80 6.60 7 -2 8 -3.80 5.80 7 -2 8 4.30 7.80 -8 2 -8 239.48 24.00 -8 2 -8 190.28 18.50 -8 2 -8 236.68 24.30 8 -2 8 199.18 18.00 8 -2 8 204.98 28.10 -9 2 -8 233.38 31.30 -9 2 -8 236.78 20.70 -9 2 -8 214.78 28.40 9 -2 8 212.98 19.90 9 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5 16 252.67 25.30 8 -5 -16 30.90 11.50 8 -5 -16 22.70 12.80 -8 5 16 5.20 12.00 -8 5 16 38.80 14.50 7 -5 -16 92.39 19.30 -7 5 16 72.29 17.00 -7 5 16 66.79 16.50 6 -5 -16 180.08 26.40 -6 5 16 186.78 25.40 -6 5 16 240.18 23.70 5 -5 -16 55.09 15.90 -5 5 16 60.39 13.50 -5 5 16 48.40 12.40 4 -5 -16 92.29 15.20 4 -5 -16 86.99 18.30 -4 5 16 70.19 14.70 3 -5 -16 109.69 17.60 3 -5 -16 119.59 22.20 -3 5 16 150.08 21.20 -3 5 16 140.09 18.70 2 -5 -16 33.30 11.80 2 -5 -16 15.00 10.30 -2 5 16 31.90 11.60 -2 5 16 12.60 8.40 1 -5 -16 221.28 30.00 1 -5 -16 129.39 21.20 -1 5 16 145.19 22.30 -1 5 16 116.39 18.60 0 -5 -16 206.18 28.00 0 5 16 246.18 24.90 0 5 16 181.58 25.50 8 -6 -16 395.76 32.70 8 -6 -16 489.35 38.10 -8 6 16 357.56 31.20 -8 6 16 352.86 32.50 7 -6 -16 19.40 11.50 -7 6 16 6.20 10.20 -7 6 16 2.00 9.50 6 -6 -16 120.99 21.70 -6 6 16 77.89 17.20 -6 6 16 97.99 19.20 5 -6 -16 460.75 37.30 -5 6 16 412.16 32.20 -5 6 16 402.86 31.20 4 -6 -16 -7.10 10.30 4 -6 -16 -9.00 10.10 -4 6 16 -7.50 8.50 -4 6 16 13.20 8.20 3 -6 -16 1.60 11.10 3 -6 -16 2.00 11.90 -3 6 16 7.40 10.60 -3 6 16 13.10 10.00 2 -6 -16 165.58 25.90 2 -6 -16 189.28 27.90 -2 6 16 173.88 23.00 -2 6 16 207.38 21.80 1 -6 -16 -10.00 9.70 -1 6 16 -8.50 7.30 -1 6 16 -5.80 9.10 7 -7 -16 39.00 16.40 -7 7 16 50.69 16.10 -7 7 16 77.59 18.90 6 -7 -16 28.20 13.00 -6 7 16 4.40 8.90 -6 7 16 0.70 10.20 5 -7 -16 93.99 22.20 -5 7 16 97.09 17.90 -5 7 16 85.29 19.20 4 -7 -16 212.18 34.90 4 -7 -16 262.07 37.90 -4 7 16 239.48 24.10 -4 7 16 198.28 25.70 3 -7 -16 18.10 13.70 -3 7 16 26.70 11.70 -3 7 16 10.10 10.90 2 -7 -16 9.70 13.60 2 -7 -16 42.70 19.00 -2 7 16 48.30 13.20 -2 7 16 37.80 13.90 -5 8 16 43.70 16.90 -5 8 16 74.69 17.10 4 -8 -16 67.39 21.20 -4 8 16 67.59 15.30 -4 8 16 59.09 15.90 6 6 -17 61.49 17.10 6 6 -17 92.59 17.50 -6 -6 17 99.99 18.60 5 6 -17 17.00 15.50 -5 -6 17 7.00 9.40 4 6 -17 89.89 16.40 -4 -6 17 79.19 16.40 3 6 -17 11.10 14.60 3 6 -17 17.00 10.90 -3 -6 17 11.10 14.10 -3 -6 17 11.00 11.10 7 5 -17 257.37 27.40 -7 -5 17 232.28 23.10 6 5 -17 219.68 28.90 6 5 -17 227.28 22.90 -6 -5 17 195.98 20.90 5 5 -17 47.80 15.00 5 5 -17 59.79 15.80 -5 -5 17 64.39 13.60 -5 -5 17 45.70 16.30 4 5 -17 25.70 13.50 -4 -5 17 50.19 14.10 -4 -5 17 57.89 14.70 3 5 -17 420.06 30.90 3 5 -17 296.27 40.00 -3 -5 17 369.26 28.10 2 5 -17 37.50 12.00 -2 -5 17 33.90 11.00 1 5 -17 -2.40 12.80 1 5 -17 8.00 10.60 -1 -5 17 -2.80 9.60 -1 -5 17 16.60 10.00 8 4 -17 157.78 23.10 -8 -4 17 221.98 22.40 -8 -4 17 145.59 29.70 7 4 -17 -8.40 9.20 -7 -4 17 19.90 8.40 6 4 -17 -15.00 10.70 6 4 -17 -17.30 8.50 -6 -4 17 -14.70 5.90 -6 -4 17 15.30 10.90 5 4 -17 101.59 20.50 5 4 -17 125.69 17.50 -5 -4 17 132.59 16.90 -5 -4 17 127.49 21.60 4 4 -17 2.00 9.80 4 4 -17 13.60 10.70 -4 -4 17 -11.30 7.40 -4 -4 17 12.60 9.90 3 4 -17 176.68 26.10 3 4 -17 114.49 19.10 -3 -4 17 130.49 22.20 -3 -4 17 129.29 18.10 2 4 -17 357.76 28.80 2 4 -17 328.67 36.50 -2 -4 17 366.86 26.80 1 4 -17 32.80 12.80 -1 -4 17 15.60 9.40 8 3 -17 185.98 18.60 8 3 -17 125.59 24.60 -8 -3 17 129.19 18.60 -8 -3 17 99.79 15.90 7 3 -17 196.38 26.80 -7 -3 17 180.58 26.50 -7 -3 17 167.08 23.10 -7 -3 17 130.49 19.70 6 3 -17 94.29 17.90 -6 -3 17 103.79 16.80 -6 -3 17 103.19 19.20 5 3 -17 7.80 10.70 5 3 -17 -0.60 9.40 -5 -3 17 12.00 9.30 -5 -3 17 16.10 8.40 4 3 -17 185.28 26.60 4 3 -17 213.38 22.10 -4 -3 17 192.18 20.40 -4 -3 17 226.48 24.70 3 3 -17 49.00 13.00 3 3 -17 95.69 16.80 -3 -3 17 80.29 17.90 2 3 -17 17.10 10.90 2 3 -17 0.40 9.40 -2 -3 17 14.00 9.00 -2 -3 17 17.50 11.80 1 3 -17 226.88 28.60 1 3 -17 217.48 23.40 -1 -3 17 233.18 21.60 0 3 -17 -5.20 10.50 0 3 -17 11.70 11.70 0 3 -17 -0.10 9.40 0 -3 17 19.30 12.20 0 -3 17 22.80 9.10 9 2 -17 43.00 13.60 9 2 -17 39.90 11.80 -9 -2 17 27.10 13.50 -9 -2 17 22.00 10.40 8 2 -17 282.17 28.80 8 2 -17 264.57 22.90 -8 -2 17 291.77 22.60 -8 -2 17 231.48 22.50 7 2 -17 120.59 17.10 7 2 -17 148.49 22.80 -7 -2 17 170.28 18.20 -7 -2 17 164.38 24.60 -7 -2 17 109.69 16.50 6 2 -17 214.48 28.60 -6 -2 17 210.68 29.50 -6 -2 17 231.28 20.50 -6 -2 17 211.48 19.00 5 2 -17 125.59 16.10 5 2 -17 126.09 21.20 -5 -2 17 99.99 15.30 -5 -2 17 125.19 22.00 4 2 -17 50.79 13.40 4 2 -17 59.79 17.20 -4 -2 17 87.69 14.20 -4 -2 17 44.00 13.30 3 2 -17 328.87 30.50 3 2 -17 290.67 25.20 -3 -2 17 354.26 24.50 -3 -2 17 316.77 29.70 2 2 -17 204.18 22.50 2 2 -17 197.98 27.30 -2 -2 17 174.48 25.90 -2 -2 17 252.87 20.60 1 2 -17 -1.40 8.20 1 2 -17 1.30 11.80 -1 -2 17 -15.90 8.00 0 2 -17 178.18 24.60 0 2 -17 128.99 19.70 0 -2 17 180.58 19.20 9 1 -17 106.49 16.30 9 1 -17 65.99 16.20 -9 -1 17 70.29 14.10 -9 -1 17 73.99 19.70 -9 -1 17 44.00 10.80 8 1 -17 342.17 31.80 8 1 -17 403.26 27.20 -8 -1 17 341.57 24.00 -8 -1 17 305.27 25.70 -8 -1 17 357.96 33.50 7 1 -17 194.08 18.40 7 1 -17 249.08 26.30 -7 -1 17 169.88 19.20 -7 -1 17 174.68 25.00 -7 -1 17 152.88 16.30 6 1 -17 27.00 12.70 -6 -1 17 26.10 8.50 -6 -1 17 36.00 9.80 -6 -1 17 48.90 15.60 5 1 -17 87.79 14.10 5 1 -17 119.29 20.90 -5 -1 17 99.19 18.50 -5 -1 17 70.69 12.60 -5 -1 17 114.29 14.90 4 1 -17 32.60 13.70 4 1 -17 9.80 9.00 -4 -1 17 -5.00 7.00 -4 -1 17 13.60 8.50 3 1 -17 24.50 11.00 3 1 -17 1.40 11.10 -3 -1 17 19.60 8.30 -3 -1 17 26.20 11.70 2 1 -17 305.97 24.10 2 1 -17 286.07 28.40 -2 -1 17 273.67 21.90 -2 -1 17 277.87 28.40 1 1 -17 0.90 10.90 1 1 -17 -8.60 9.20 1 1 -17 13.70 11.10 -1 -1 17 -20.00 8.10 -1 -1 17 15.90 9.40 0 1 -17 39.70 16.60 9 0 -17 33.90 10.80 9 0 -17 30.70 12.50 -9 0 17 25.50 12.70 8 0 -17 6.50 11.80 -8 0 17 49.90 16.70 7 0 -17 500.55 36.60 7 0 -17 461.85 30.90 -7 0 17 576.34 40.80 -7 0 17 467.65 31.10 6 0 -17 76.09 16.80 -6 0 17 98.49 14.30 -6 0 17 67.89 16.70 -6 0 17 94.69 14.90 5 0 -17 70.99 16.20 5 0 -17 36.60 11.70 -5 0 17 47.90 15.00 -5 0 17 40.50 9.30 -5 0 17 49.30 11.80 4 0 -17 519.05 39.10 4 0 -17 495.05 30.70 -4 0 17 515.85 28.00 -4 0 17 496.65 37.90 3 0 -17 368.36 32.50 3 0 -17 317.67 23.10 3 0 -17 304.07 25.50 -3 0 17 289.67 21.50 -3 0 17 363.06 31.60 2 0 -17 38.60 14.30 2 0 -17 54.19 15.40 2 0 -17 10.00 10.60 -2 0 17 44.10 14.20 -2 0 17 15.50 9.10 1 0 -17 75.39 14.80 1 0 -17 66.79 16.80 1 0 -17 85.89 16.00 -1 0 17 78.99 18.20 -1 0 17 87.89 14.00 0 0 -17 21.40 14.10 0 0 -17 44.60 14.90 0 0 17 23.10 9.90 0 0 17 66.39 17.70 9 -1 -17 127.29 21.00 9 -1 -17 99.99 17.70 -9 1 17 124.99 20.10 8 -1 -17 117.59 20.20 8 -1 -17 118.59 19.10 -8 1 17 150.18 20.30 -8 1 17 138.59 23.20 7 -1 -17 -2.30 8.00 7 -1 -17 5.20 9.20 -7 1 17 -3.10 8.60 -7 1 17 -7.70 8.90 6 -1 -17 236.18 25.80 -6 1 17 206.88 27.40 -6 1 17 269.57 22.80 5 -1 -17 25.70 12.50 -5 1 17 14.70 11.00 -5 1 17 23.70 8.90 4 -1 -17 112.29 17.20 4 -1 -17 139.79 22.50 -4 1 17 111.09 15.70 -4 1 17 153.98 23.70 3 -1 -17 224.58 22.80 3 -1 -17 230.18 25.20 -3 1 17 226.98 25.60 -3 1 17 210.98 29.20 2 -1 -17 46.40 12.20 2 -1 -17 68.89 17.90 -2 1 17 90.69 18.50 1 -1 -17 9.40 9.70 1 -1 -17 13.00 11.40 -1 1 17 24.10 13.10 0 -1 -17 324.27 30.20 0 1 17 352.76 32.80 9 -2 -17 77.89 16.20 9 -2 -17 103.19 20.00 -9 2 17 96.99 15.80 8 -2 -17 575.44 40.50 8 -2 -17 637.94 38.10 -8 2 17 587.54 42.40 -8 2 17 634.24 37.90 7 -2 -17 235.48 29.60 7 -2 -17 197.28 27.10 -7 2 17 270.27 27.50 -7 2 17 184.78 26.40 6 -2 -17 -3.70 8.90 -6 2 17 2.40 8.80 -6 2 17 1.30 10.00 5 -2 -17 469.55 37.00 -5 2 17 447.66 35.00 -5 2 17 426.46 29.20 4 -2 -17 85.09 14.90 4 -2 -17 96.19 18.70 -4 2 17 88.49 15.10 -4 2 17 82.19 17.50 3 -2 -17 22.00 12.80 3 -2 -17 32.10 10.90 -3 2 17 29.80 10.70 -3 2 17 8.30 9.80 2 -2 -17 92.99 17.70 2 -2 -17 81.29 18.90 -2 2 17 102.89 20.10 1 -2 -17 13.10 9.50 -1 2 17 8.90 10.80 0 -2 -17 59.79 17.60 0 -2 -17 67.89 16.60 0 2 17 73.59 16.60 8 -3 -17 26.20 13.30 8 -3 -17 7.30 9.50 -8 3 17 14.70 12.00 -8 3 17 9.00 11.10 7 -3 -17 95.39 18.20 -7 3 17 97.09 17.30 -7 3 17 128.99 21.90 6 -3 -17 29.20 13.40 -6 3 17 19.40 11.90 5 -3 -17 8.90 11.00 -5 3 17 5.10 9.90 -5 3 17 3.70 9.60 4 -3 -17 275.67 30.10 4 -3 -17 328.17 25.40 -4 3 17 288.47 25.10 -4 3 17 303.17 28.90 3 -3 -17 120.39 23.10 3 -3 -17 87.49 17.10 -3 3 17 94.99 16.50 -3 3 17 113.39 19.50 2 -3 -17 -7.00 11.90 -2 3 17 13.40 11.50 -2 3 17 3.40 9.60 1 -3 -17 167.58 24.90 -1 3 17 160.28 23.80 8 -4 -17 206.38 29.60 8 -4 -17 180.78 24.40 -8 4 17 224.08 30.50 -8 4 17 173.58 25.00 7 -4 -17 11.70 11.00 -7 4 17 -3.00 9.70 -7 4 17 9.60 9.10 6 -4 -17 176.48 26.40 -6 4 17 124.59 21.40 -6 4 17 113.09 19.10 5 -4 -17 168.58 26.40 -5 4 17 114.29 18.30 -5 4 17 122.99 21.50 4 -4 -17 25.30 13.60 4 -4 -17 33.90 12.70 -4 4 17 -8.30 9.80 -4 4 17 13.60 10.00 3 -4 -17 477.35 42.80 -3 4 17 345.77 27.40 -3 4 17 358.86 30.40 2 -4 -17 8.80 12.90 -2 4 17 46.60 14.20 -2 4 17 37.70 12.90 1 -4 -17 38.70 13.70 1 -4 -17 20.80 14.90 -1 4 17 28.60 12.80 -1 4 17 43.80 12.50 7 -5 -17 66.39 18.10 -7 5 17 61.09 16.10 -7 5 17 73.69 17.10 6 -5 -17 -24.50 10.10 -6 5 17 -13.80 7.90 -6 5 17 -0.80 11.30 5 -5 -17 214.58 29.10 -5 5 17 204.88 25.30 -5 5 17 177.38 24.60 -4 5 17 210.58 22.30 -4 5 17 172.58 24.80 3 -5 -17 -9.70 12.70 -3 5 17 -1.30 11.20 -3 5 17 -6.90 9.20 2 -5 -17 106.29 19.00 2 -5 -17 146.29 24.60 -2 5 17 154.38 21.00 -2 5 17 124.99 20.50 -5 6 17 25.50 12.70 -5 6 17 31.20 12.20 -5 -3 18 209.08 21.40 -5 -3 18 140.59 23.10 4 3 -18 2.80 12.40 4 3 -18 19.60 12.60 -4 -3 18 6.20 10.80 -4 -3 18 7.70 9.70 6 2 -18 112.79 20.20 -6 -2 18 73.19 12.50 -6 -2 18 67.59 16.80 -5 -2 18 24.50 10.20 4 2 -18 82.19 18.50 -4 -2 18 99.49 15.70 3 2 -18 14.00 12.50 3 2 -18 -17.30 9.30 -3 -2 18 -4.10 9.20 7 1 -18 187.18 27.10 -7 -1 18 144.69 23.70 6 1 -18 494.35 39.10 -6 -1 18 446.66 43.60 4 1 -18 85.79 17.50 3 1 -18 357.56 27.60 3 1 -18 360.96 36.70 3 1 -18 374.26 41.10 7 0 -18 12.20 12.30 -7 0 18 -8.50 11.40 -7 0 18 11.00 13.30 6 0 -18 26.10 11.70 4 0 -18 -13.10 9.50 3 0 -18 70.09 20.60 6 -1 -18 132.69 24.70 -6 1 18 84.99 16.90 3 -1 -18 97.19 18.30 3 -1 -18 126.99 19.70 -5 2 18 26.20 12.10 -5 2 18 34.30 16.10 -4 2 18 133.79 25.60 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 3591 _olex2_submission_special_instructions 'No special instructions were received' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' 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_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Sb1 Sb 0.67081(2) 0.32455(2) 0.21491(2) 0.01337(3) Uani 1 1 d . . . . . P1 P 0.44026(4) 0.28797(3) 0.34801(3) 0.01364(7) Uani 1 1 d . . . . . F2 F 1.03022(12) 0.01938(10) 0.87441(9) 0.0326(3) Uani 1 1 d . . . . . O1 O 0.57731(11) 0.34835(9) 0.36266(9) 0.0161(2) Uani 1 1 d . . . . . F1 F 0.93951(12) -0.03589(11) 0.69649(10) 0.0407(3) Uani 1 1 d . . . . . F4 F 1.16025(12) 0.03344(10) 0.76244(11) 0.0393(3) Uani 1 1 d . . . . . F3 F 0.98451(17) 0.14530(11) 0.74405(11) 0.0501(4) Uani 1 1 d . . . . . C19 C 0.83361(15) 0.28079(12) 0.35182(12) 0.0144(3) Uani 1 1 d . . . . . C2 C 0.40323(15) 0.20177(12) 0.22715(12) 0.0144(3) Uani 1 1 d . . . . . C1 C 0.49275(15) 0.21396(12) 0.16609(12) 0.0149(3) Uani 1 1 d . . . . . C27 C 0.22293(17) 0.54072(14) 0.39449(14) 0.0211(3) Uani 1 1 d . . . . . H27 H 0.229749 0.591760 0.452351 0.025 Uiso 1 1 calc R . . . . C13 C 0.74896(16) 0.29269(13) 0.08558(13) 0.0166(3) Uani 1 1 d . . . . . C26 C 0.31235(17) 0.45571(13) 0.41166(13) 0.0188(3) Uani 1 1 d . . . . . H26 H 0.379609 0.448121 0.481678 0.023 Uiso 1 1 calc R . . . . C31 C 0.44799(16) 0.20605(12) 0.46283(12) 0.0150(3) Uani 1 1 d . . . . . C25 C 0.30391(15) 0.38133(12) 0.32651(13) 0.0151(3) Uani 1 1 d . . . . . C5 C 0.35391(17) 0.07464(14) 0.03687(14) 0.0207(3) Uani 1 1 d . . . . . H5 H 0.336218 0.031904 -0.028662 0.025 Uiso 1 1 calc R . . . . C9 C 0.59831(19) 0.67182(14) 0.26041(15) 0.0255(4) Uani 1 1 d . . . . . H9 H 0.551527 0.713203 0.298567 0.031 Uiso 1 1 calc R . . . . C24 C 0.83112(17) 0.17728(13) 0.39424(14) 0.0209(3) Uani 1 1 d . . . . . H24 H 0.760617 0.123453 0.357197 0.025 Uiso 1 1 calc R . . . . C32 C 0.32785(17) 0.16260(13) 0.47827(13) 0.0174(3) Uani 1 1 d . . . . . H32 H 0.239479 0.179868 0.430116 0.021 Uiso 1 1 calc R . . . . C3 C 0.29096(16) 0.12538(13) 0.19340(13) 0.0173(3) Uani 1 1 d . . . . . H3 H 0.231398 0.116532 0.235503 0.021 Uiso 1 1 calc R . . . . C30 C 0.20293(17) 0.39160(14) 0.22456(14) 0.0205(3) Uani 1 1 d . . . . . H30 H 0.195945 0.341085 0.166244 0.025 Uiso 1 1 calc R . . . . C4 C 0.26629(17) 0.06209(13) 0.09787(14) 0.0193(3) Uani 1 1 d . . . . . H4 H 0.189506 0.010356 0.074489 0.023 Uiso 1 1 calc R . . . . C6 C 0.46759(17) 0.14940(13) 0.07097(13) 0.0184(3) Uani 1 1 d . . . . . H6 H 0.528083 0.156477 0.029456 0.022 Uiso 1 1 calc R . . . . C20 C 0.93860(17) 0.35917(14) 0.40353(14) 0.0204(3) Uani 1 1 d . . . . . H20 H 0.940785 0.429255 0.373319 0.024 Uiso 1 1 calc R . . . . C28 C 0.12354(18) 0.55092(14) 0.29258(15) 0.0233(3) Uani 1 1 d . . . . . H28 H 0.062894 0.609496 0.280459 0.028 Uiso 1 1 calc R . . . . C18 C 0.86531(17) 0.23106(13) 0.10508(14) 0.0191(3) Uani 1 1 d . . . . . H18 H 0.909169 0.203915 0.175733 0.023 Uiso 1 1 calc R . . . . C21 C 1.04036(17) 0.33342(15) 0.50017(14) 0.0238(3) Uani 1 1 d . . . . . H21 H 1.113087 0.386028 0.535991 0.029 Uiso 1 1 calc R . . . . C36 C 0.57787(17) 0.18054(13) 0.53398(13) 0.0187(3) Uani 1 1 d . . . . . H36 H 0.659415 0.210232 0.523361 0.022 Uiso 1 1 calc R . . . . C7 C 0.65982(16) 0.49721(12) 0.20662(13) 0.0170(3) Uani 1 1 d . . . . . C14 C 0.68508(18) 0.33161(15) -0.01897(14) 0.0235(3) Uani 1 1 d . . . . . H14 H 0.604668 0.372451 -0.033281 0.028 Uiso 1 1 calc R . . . . C10 C 0.67376(19) 0.72552(14) 0.20355(15) 0.0271(4) Uani 1 1 d . . . . . H10 H 0.678439 0.803353 0.202708 0.033 Uiso 1 1 calc R . . . . C33 C 0.33878(18) 0.09387(13) 0.56471(14) 0.0205(3) Uani 1 1 d . . . . . H33 H 0.257559 0.064177 0.575843 0.025 Uiso 1 1 calc R . . . . C17 C 0.91705(18) 0.20940(14) 0.02096(15) 0.0231(3) Uani 1 1 d . . . . . H17 H 0.995555 0.166476 0.034132 0.028 Uiso 1 1 calc R . . . . C12 C 0.73575(18) 0.55132(14) 0.14952(16) 0.0247(4) Uani 1 1 d . . . . . H12 H 0.783186 0.510399 0.111555 0.030 Uiso 1 1 calc R . . . . C35 C 0.58777(18) 0.11181(14) 0.62019(14) 0.0218(3) Uani 1 1 d . . . . . H35 H 0.675870 0.094544 0.668801 0.026 Uiso 1 1 calc R . . . . C16 C 0.85511(19) 0.24986(15) -0.08178(15) 0.0259(4) Uani 1 1 d . . . . . H16 H 0.892111 0.236012 -0.138511 0.031 Uiso 1 1 calc R . . . . C29 C 0.11260(18) 0.47603(15) 0.20866(14) 0.0237(3) Uani 1 1 d . . . . . H29 H 0.042817 0.482336 0.139613 0.028 Uiso 1 1 calc R . . . . C34 C 0.46788(19) 0.06852(13) 0.63476(14) 0.0219(3) Uani 1 1 d . . . . . H34 H 0.474390 0.021057 0.693304 0.026 Uiso 1 1 calc R . . . . C23 C 0.93265(18) 0.15344(14) 0.49120(14) 0.0230(3) Uani 1 1 d . . . . . H23 H 0.931177 0.083217 0.521288 0.028 Uiso 1 1 calc R . . . . C8 C 0.59063(18) 0.55764(13) 0.26199(14) 0.0211(3) Uani 1 1 d . . . . . H8 H 0.538386 0.521297 0.300699 0.025 Uiso 1 1 calc R . . . . C15 C 0.73879(19) 0.31075(17) -0.10178(15) 0.0280(4) Uani 1 1 d . . . . . H15 H 0.695855 0.338208 -0.172433 0.034 Uiso 1 1 calc R . . . . C22 C 1.03619(17) 0.23165(15) 0.54433(13) 0.0215(3) Uani 1 1 d . . . . . H22 H 1.104625 0.215301 0.611379 0.026 Uiso 1 1 calc R . . . . C11 C 0.74184(19) 0.66563(15) 0.14834(16) 0.0291(4) Uani 1 1 d . . . . . H11 H 0.793246 0.702376 0.109216 0.035 Uiso 1 1 calc R . . . . B1 B 1.0285(2) 0.04016(17) 0.76954(17) 0.0236(4) Uani 1 1 d . . . . . 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 Sb1 0.01231(5) 0.01333(5) 0.01380(5) 0.00132(3) 0.00350(3) 0.00026(3) P1 0.01302(17) 0.01418(17) 0.01348(17) -0.00083(14) 0.00428(14) -0.00037(13) F2 0.0362(6) 0.0407(7) 0.0210(5) 0.0050(5) 0.0095(5) 0.0019(5) O1 0.0137(5) 0.0171(5) 0.0168(5) -0.0013(4) 0.0047(4) -0.0013(4) F1 0.0304(6) 0.0570(8) 0.0327(6) -0.0163(6) 0.0114(5) -0.0187(6) F4 0.0287(6) 0.0438(7) 0.0506(8) -0.0183(6) 0.0233(6) -0.0137(5) F3 0.0883(11) 0.0357(7) 0.0457(8) 0.0158(6) 0.0452(8) 0.0214(7) C19 0.0121(7) 0.0174(7) 0.0136(7) 0.0004(5) 0.0038(5) 0.0018(5) C2 0.0141(7) 0.0135(7) 0.0143(7) 0.0006(5) 0.0032(5) 0.0009(5) C1 0.0141(7) 0.0136(7) 0.0155(7) 0.0000(5) 0.0032(6) -0.0006(5) C27 0.0213(8) 0.0181(8) 0.0260(8) -0.0034(6) 0.0111(7) -0.0003(6) C13 0.0145(7) 0.0178(7) 0.0182(7) 0.0008(6) 0.0067(6) -0.0015(5) C26 0.0161(7) 0.0205(8) 0.0192(8) -0.0013(6) 0.0054(6) -0.0012(6) C31 0.0175(7) 0.0130(7) 0.0141(7) -0.0014(5) 0.0050(6) 0.0002(5) C25 0.0135(7) 0.0148(7) 0.0175(7) 0.0010(6) 0.0061(6) -0.0009(5) C5 0.0223(8) 0.0200(8) 0.0176(7) -0.0058(6) 0.0043(6) -0.0006(6) C9 0.0309(9) 0.0167(8) 0.0231(8) -0.0029(6) 0.0012(7) 0.0021(7) C24 0.0208(8) 0.0170(7) 0.0205(8) 0.0011(6) 0.0012(6) 0.0000(6) C32 0.0180(7) 0.0167(7) 0.0171(7) -0.0017(6) 0.0055(6) 0.0001(6) C3 0.0161(7) 0.0164(7) 0.0188(7) 0.0012(6) 0.0053(6) -0.0009(6) C30 0.0199(8) 0.0228(8) 0.0176(8) -0.0011(6) 0.0045(6) 0.0021(6) C4 0.0174(7) 0.0157(7) 0.0217(8) -0.0015(6) 0.0028(6) -0.0023(6) C6 0.0189(8) 0.0205(8) 0.0156(7) -0.0007(6) 0.0057(6) 0.0016(6) C20 0.0177(8) 0.0208(8) 0.0218(8) 0.0021(6) 0.0060(6) -0.0039(6) C28 0.0212(8) 0.0196(8) 0.0316(9) 0.0042(7) 0.0116(7) 0.0047(6) C18 0.0201(8) 0.0171(7) 0.0198(8) 0.0008(6) 0.0060(6) 0.0019(6) C21 0.0158(8) 0.0321(9) 0.0203(8) -0.0011(7) 0.0027(6) -0.0053(7) C36 0.0180(8) 0.0187(7) 0.0184(7) -0.0010(6) 0.0047(6) 0.0009(6) C7 0.0151(7) 0.0129(7) 0.0191(7) 0.0024(6) 0.0006(6) -0.0002(5) C14 0.0179(8) 0.0319(9) 0.0213(8) 0.0060(7) 0.0069(6) 0.0042(7) C10 0.0267(9) 0.0151(8) 0.0289(9) 0.0025(7) -0.0045(7) -0.0023(6) C33 0.0253(8) 0.0138(7) 0.0246(8) -0.0009(6) 0.0116(7) -0.0013(6) C17 0.0206(8) 0.0226(8) 0.0286(9) -0.0018(7) 0.0112(7) 0.0032(6) C12 0.0205(8) 0.0204(8) 0.0345(10) 0.0061(7) 0.0108(7) 0.0003(6) C35 0.0243(8) 0.0192(8) 0.0196(8) 0.0010(6) 0.0039(6) 0.0053(6) C16 0.0264(9) 0.0312(9) 0.0246(9) -0.0014(7) 0.0148(7) -0.0007(7) C29 0.0205(8) 0.0270(9) 0.0217(8) 0.0037(7) 0.0036(7) 0.0063(7) C34 0.0322(9) 0.0140(7) 0.0210(8) 0.0035(6) 0.0105(7) 0.0040(6) C23 0.0240(8) 0.0225(8) 0.0211(8) 0.0063(7) 0.0049(7) 0.0046(6) C8 0.0226(8) 0.0174(8) 0.0197(8) 0.0004(6) 0.0025(6) -0.0002(6) C15 0.0257(9) 0.0406(11) 0.0202(8) 0.0080(8) 0.0102(7) 0.0046(8) C22 0.0156(7) 0.0336(9) 0.0146(7) 0.0018(7) 0.0036(6) 0.0046(6) C11 0.0257(9) 0.0228(9) 0.0360(10) 0.0092(8) 0.0070(8) -0.0045(7) B1 0.0263(10) 0.0248(10) 0.0218(9) -0.0016(7) 0.0116(8) -0.0037(7) 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' B B 0.0013 0.0007 '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' P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Sb Sb -0.5866 1.5461 '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 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C19 Sb1 O1 77.35(5) . . ? C19 Sb1 C1 115.71(6) . . ? C19 Sb1 C13 102.09(6) . . ? C19 Sb1 C7 111.23(6) . . ? C1 Sb1 O1 77.49(5) . . ? C13 Sb1 O1 176.27(5) . . ? C13 Sb1 C1 99.59(6) . . ? C7 Sb1 O1 83.58(5) . . ? C7 Sb1 C1 123.24(6) . . ? C7 Sb1 C13 100.01(6) . . ? O1 P1 C2 106.04(7) . . ? O1 P1 C31 111.69(7) . . ? O1 P1 C25 111.33(7) . . ? C2 P1 C25 108.36(7) . . ? C31 P1 C2 109.97(7) . . ? C31 P1 C25 109.36(7) . . ? P1 O1 Sb1 116.15(6) . . ? C24 C19 Sb1 120.09(11) . . ? C24 C19 C20 120.90(14) . . ? C20 C19 Sb1 118.87(11) . . ? C1 C2 P1 117.18(11) . . ? C3 C2 P1 122.57(12) . . ? C3 C2 C1 120.25(14) . . ? C2 C1 Sb1 122.67(11) . . ? C6 C1 Sb1 118.00(11) . . ? C6 C1 C2 119.31(14) . . ? C26 C27 H27 120.1 . . ? C28 C27 H27 120.1 . . ? C28 C27 C26 119.81(16) . . ? C18 C13 Sb1 119.38(12) . . ? C18 C13 C14 119.42(15) . . ? C14 C13 Sb1 121.19(12) . . ? C27 C26 H26 119.8 . . ? C27 C26 C25 120.31(15) . . ? C25 C26 H26 119.8 . . ? C32 C31 P1 121.33(12) . . ? C32 C31 C36 120.11(14) . . ? C36 C31 P1 118.44(12) . . ? C26 C25 P1 117.62(12) . . ? C30 C25 P1 122.26(12) . . ? C30 C25 C26 119.51(15) . . ? C4 C5 H5 119.7 . . ? C4 C5 C6 120.52(15) . . ? C6 C5 H5 119.7 . . ? C10 C9 H9 119.7 . . ? C10 C9 C8 120.53(17) . . ? C8 C9 H9 119.7 . . ? C19 C24 H24 120.4 . . ? C23 C24 C19 119.27(15) . . ? C23 C24 H24 120.4 . . ? C31 C32 H32 120.3 . . ? C33 C32 C31 119.41(15) . . ? C33 C32 H32 120.3 . . ? C2 C3 H3 120.0 . . ? C4 C3 C2 119.91(15) . . ? C4 C3 H3 120.0 . . ? C25 C30 H30 120.1 . . ? C29 C30 C25 119.72(16) . . ? C29 C30 H30 120.1 . . ? C5 C4 C3 119.95(15) . . ? C5 C4 H4 120.0 . . ? C3 C4 H4 120.0 . . ? C1 C6 H6 120.0 . . ? C5 C6 C1 120.06(15) . . ? C5 C6 H6 120.0 . . ? C19 C20 H20 120.5 . . ? C19 C20 C21 119.01(15) . . ? C21 C20 H20 120.5 . . ? C27 C28 H28 119.9 . . ? C29 C28 C27 120.14(15) . . ? C29 C28 H28 119.9 . . ? C13 C18 H18 120.1 . . ? C17 C18 C13 119.87(15) . . ? C17 C18 H18 120.1 . . ? C20 C21 H21 119.8 . . ? C22 C21 C20 120.32(16) . . ? C22 C21 H21 119.8 . . ? C31 C36 H36 120.0 . . ? C35 C36 C31 120.06(15) . . ? C35 C36 H36 120.0 . . ? C12 C7 Sb1 117.00(12) . . ? C8 C7 Sb1 123.04(12) . . ? C8 C7 C12 119.75(15) . . ? C13 C14 H14 119.9 . . ? C15 C14 C13 120.15(16) . . ? C15 C14 H14 119.9 . . ? C9 C10 H10 120.1 . . ? C11 C10 C9 119.80(16) . . ? C11 C10 H10 120.1 . . ? C32 C33 H33 119.9 . . ? C34 C33 C32 120.21(16) . . ? C34 C33 H33 119.9 . . ? C18 C17 H17 119.8 . . ? C16 C17 C18 120.50(16) . . ? C16 C17 H17 119.8 . . ? C7 C12 H12 120.1 . . ? C11 C12 C7 119.86(17) . . ? C11 C12 H12 120.1 . . ? C36 C35 H35 120.2 . . ? C36 C35 C34 119.51(16) . . ? C34 C35 H35 120.2 . . ? C17 C16 H16 120.1 . . ? C17 C16 C15 119.84(16) . . ? C15 C16 H16 120.1 . . ? C30 C29 H29 119.8 . . ? C28 C29 C30 120.48(16) . . ? C28 C29 H29 119.8 . . ? C33 C34 C35 120.69(15) . . ? C33 C34 H34 119.7 . . ? C35 C34 H34 119.7 . . ? C24 C23 H23 119.9 . . ? C22 C23 C24 120.23(16) . . ? C22 C23 H23 119.9 . . ? C9 C8 H8 120.2 . . ? C7 C8 C9 119.66(17) . . ? C7 C8 H8 120.2 . . ? C14 C15 C16 120.19(17) . . ? C14 C15 H15 119.9 . . ? C16 C15 H15 119.9 . . ? C21 C22 C23 120.24(15) . . ? C21 C22 H22 119.9 . . ? C23 C22 H22 119.9 . . ? C10 C11 C12 120.40(17) . . ? C10 C11 H11 119.8 . . ? C12 C11 H11 119.8 . . ? F2 B1 F1 109.65(15) . . ? F2 B1 F4 110.55(16) . . ? F2 B1 F3 108.67(15) . . ? F1 B1 F4 108.92(15) . . ? F1 B1 F3 110.07(17) . . ? F3 B1 F4 108.98(16) . . ? 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 Sb1 O1 2.4316(11) . ? Sb1 C19 2.0912(15) . ? Sb1 C1 2.1325(15) . ? Sb1 C13 2.1245(16) . ? Sb1 C7 2.1192(15) . ? P1 O1 1.5114(11) . ? P1 C2 1.7957(16) . ? P1 C31 1.7907(16) . ? P1 C25 1.7973(16) . ? F2 B1 1.383(2) . ? F1 B1 1.384(2) . ? F4 B1 1.391(2) . ? F3 B1 1.389(2) . ? C19 C24 1.390(2) . ? C19 C20 1.390(2) . ? C2 C1 1.404(2) . ? C2 C3 1.395(2) . ? C1 C6 1.396(2) . ? C27 H27 0.9500 . ? C27 C26 1.388(2) . ? C27 C28 1.388(2) . ? C13 C18 1.394(2) . ? C13 C14 1.398(2) . ? C26 H26 0.9500 . ? C26 C25 1.396(2) . ? C31 C32 1.397(2) . ? C31 C36 1.398(2) . ? C25 C30 1.395(2) . ? C5 H5 0.9500 . ? C5 C4 1.387(2) . ? C5 C6 1.393(2) . ? C9 H9 0.9500 . ? C9 C10 1.388(3) . ? C9 C8 1.394(2) . ? C24 H24 0.9500 . ? C24 C23 1.386(2) . ? C32 H32 0.9500 . ? C32 C33 1.390(2) . ? C3 H3 0.9500 . ? C3 C4 1.393(2) . ? C30 H30 0.9500 . ? C30 C29 1.390(2) . ? C4 H4 0.9500 . ? C6 H6 0.9500 . ? C20 H20 0.9500 . ? C20 C21 1.391(2) . ? C28 H28 0.9500 . ? C28 C29 1.382(3) . ? C18 H18 0.9500 . ? C18 C17 1.390(2) . ? C21 H21 0.9500 . ? C21 C22 1.382(2) . ? C36 H36 0.9500 . ? C36 C35 1.390(2) . ? C7 C12 1.396(2) . ? C7 C8 1.390(2) . ? C14 H14 0.9500 . ? C14 C15 1.386(2) . ? C10 H10 0.9500 . ? C10 C11 1.378(3) . ? C33 H33 0.9500 . ? C33 C34 1.387(2) . ? C17 H17 0.9500 . ? C17 C16 1.383(3) . ? C12 H12 0.9500 . ? C12 C11 1.395(2) . ? C35 H35 0.9500 . ? C35 C34 1.389(2) . ? C16 H16 0.9500 . ? C16 C15 1.388(3) . ? C29 H29 0.9500 . ? C34 H34 0.9500 . ? C23 H23 0.9500 . ? C23 C22 1.385(2) . ? C8 H8 0.9500 . ? C15 H15 0.9500 . ? C22 H22 0.9500 . ? C11 H11 0.9500 . ? 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 _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag Sb1 C19 C24 C23 -173.60(13) . . . . ? Sb1 C19 C20 C21 174.28(13) . . . . ? Sb1 C1 C6 C5 178.90(12) . . . . ? Sb1 C13 C18 C17 179.78(12) . . . . ? Sb1 C13 C14 C15 179.33(14) . . . . ? Sb1 C7 C12 C11 -174.91(14) . . . . ? Sb1 C7 C8 C9 174.28(12) . . . . ? P1 C2 C1 Sb1 2.34(17) . . . . ? P1 C2 C1 C6 -179.48(12) . . . . ? P1 C2 C3 C4 178.95(12) . . . . ? P1 C31 C32 C33 176.02(12) . . . . ? P1 C31 C36 C35 -176.16(12) . . . . ? P1 C25 C30 C29 -170.41(13) . . . . ? O1 P1 C2 C1 -6.47(13) . . . . ? O1 P1 C2 C3 173.60(12) . . . . ? O1 P1 C31 C32 165.86(12) . . . . ? O1 P1 C31 C36 -17.98(15) . . . . ? O1 P1 C25 C26 -64.17(14) . . . . ? O1 P1 C25 C30 106.84(14) . . . . ? C19 C24 C23 C22 -0.8(3) . . . . ? C19 C20 C21 C22 -0.5(3) . . . . ? C2 P1 O1 Sb1 7.26(8) . . . . ? C2 P1 C31 C32 -76.70(14) . . . . ? C2 P1 C31 C36 99.47(13) . . . . ? C2 P1 C25 C26 179.59(12) . . . . ? C2 P1 C25 C30 -9.40(16) . . . . ? C2 C1 C6 C5 0.6(2) . . . . ? C2 C3 C4 C5 0.4(2) . . . . ? C1 C2 C3 C4 -1.0(2) . . . . ? C27 C26 C25 P1 169.89(13) . . . . ? C27 C26 C25 C30 -1.4(2) . . . . ? C27 C28 C29 C30 -1.6(3) . . . . ? C13 C18 C17 C16 0.9(3) . . . . ? C13 C14 C15 C16 0.9(3) . . . . ? C26 C27 C28 C29 0.7(3) . . . . ? C26 C25 C30 C29 0.4(2) . . . . ? C31 P1 O1 Sb1 127.04(7) . . . . ? C31 P1 C2 C1 -127.37(12) . . . . ? C31 P1 C2 C3 52.70(15) . . . . ? C31 P1 C25 C26 59.73(14) . . . . ? C31 P1 C25 C30 -129.26(14) . . . . ? C31 C32 C33 C34 -0.2(2) . . . . ? C31 C36 C35 C34 0.2(2) . . . . ? C25 P1 O1 Sb1 -110.39(7) . . . . ? C25 P1 C2 C1 113.14(12) . . . . ? C25 P1 C2 C3 -66.78(14) . . . . ? C25 P1 C31 C32 42.17(15) . . . . ? C25 P1 C31 C36 -141.67(12) . . . . ? C25 C30 C29 C28 1.1(3) . . . . ? C9 C10 C11 C12 -0.2(3) . . . . ? C24 C19 C20 C21 -1.3(2) . . . . ? C24 C23 C22 C21 -1.1(3) . . . . ? C32 C31 C36 C35 0.1(2) . . . . ? C32 C33 C34 C35 0.5(3) . . . . ? C3 C2 C1 Sb1 -177.73(11) . . . . ? C3 C2 C1 C6 0.4(2) . . . . ? C4 C5 C6 C1 -1.2(2) . . . . ? C6 C5 C4 C3 0.7(2) . . . . ? C20 C19 C24 C23 1.9(2) . . . . ? C20 C21 C22 C23 1.7(3) . . . . ? C28 C27 C26 C25 0.8(2) . . . . ? C18 C13 C14 C15 -1.2(3) . . . . ? C18 C17 C16 C15 -1.3(3) . . . . ? C36 C31 C32 C33 -0.1(2) . . . . ? C36 C35 C34 C33 -0.5(3) . . . . ? C7 C12 C11 C10 0.2(3) . . . . ? C14 C13 C18 C17 0.3(2) . . . . ? C10 C9 C8 C7 0.4(3) . . . . ? C17 C16 C15 C14 0.4(3) . . . . ? C12 C7 C8 C9 -0.3(2) . . . . ? C8 C9 C10 C11 -0.1(3) . . . . ? C8 C7 C12 C11 0.0(3) . . . . ?