#------------------------------------------------------------------------------ #$Date: 2019-11-10 07:54:14 +0200 (Sun, 10 Nov 2019) $ #$Revision: 225918 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/51/58/4515812.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_4515812 loop_ _publ_author_name 'Messinis, Antonis M.' 'Batsanov, Andrei S.' 'Wright, William R. H.' 'Howard, Judith A. K.' 'Hanton, Martin J.' 'Dyer, Philip W.' _publ_section_title ; Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene ; _journal_issue 12 _journal_name_full 'ACS Catalysis' _journal_page_first 11249 _journal_paper_doi 10.1021/acscatal.8b02202 _journal_volume 8 _journal_year 2018 _chemical_absolute_configuration ad _chemical_formula_moiety 'C22 H30 Cl2 N4 O6 W, C H2 Cl2' _chemical_formula_sum 'C23 H32 Cl4 N4 O6 W' _chemical_formula_weight 786.17 _space_group_crystal_system orthorhombic _space_group_IT_number 29 _space_group_name_Hall 'P 2c -2ac' _space_group_name_H-M_alt 'P c a 21' _atom_sites_solution_hydrogens mixed _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_date 2017-11-08 _audit_creation_method ; Olex2 1.2-beta (compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381) ; _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 16.4344(6) _cell_length_b 10.2454(3) _cell_length_c 17.7291(7) _cell_measurement_reflns_used 9291 _cell_measurement_temperature 120(2) _cell_measurement_theta_max 29.973 _cell_measurement_theta_min 2.297 _cell_volume 2985.17(18) _computing_cell_refinement 'SAINT v7.46A (Bruker, 2008)' _computing_data_collection 'SMART v5.625 (Bruker, 2001)' _computing_data_reduction 'SAINT v7.46A (Bruker, 2008)' _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'ShelXL 2016/6 (Sheldrick, 2015)' _computing_structure_solution 'SHELXS (Sheldrick, 2008)' _diffrn_ambient_temperature 120 _diffrn_detector_area_resol_mean 5.6 _diffrn_measured_fraction_theta_full 1.000 _diffrn_measured_fraction_theta_max 1.000 _diffrn_measurement_device_type 'Bruker SMART CCD 6000 area detector' _diffrn_measurement_method '\w scans' _diffrn_radiation_monochromator graphite _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_xray_symbol K-L~3~ _diffrn_reflns_av_R_equivalents 0.0465 _diffrn_reflns_av_unetI/netI 0.0401 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 1.000 _diffrn_reflns_limit_h_max 23 _diffrn_reflns_limit_h_min -23 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_l_max 24 _diffrn_reflns_limit_l_min -24 _diffrn_reflns_number 52310 _diffrn_reflns_point_group_measured_fraction_full 0.997 _diffrn_reflns_point_group_measured_fraction_max 0.998 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 29.994 _diffrn_reflns_theta_min 1.988 _diffrn_source 'sealed X-ray tube' _diffrn_source_current 35.0 _diffrn_source_power 1.75 _diffrn_source_target Mo _diffrn_source_voltage 50.0 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 4.270 _exptl_absorpt_correction_T_max 0.7925 _exptl_absorpt_correction_T_min 0.3942 _exptl_absorpt_correction_type integration _exptl_absorpt_process_details ; SADABS-2008/1 (Bruker,2008) was used for absorption correction. wR2(int) was 0.0830 before and 0.0742 after correction. The Ratio of minimum to maximum transmission is 0.4974. The \l/2 correction factor is 0.0015. ; _exptl_crystal_colour 'light brown' _exptl_crystal_density_diffrn 1.749 _exptl_crystal_density_method 'not measured' _exptl_crystal_description plate _exptl_crystal_F_000 1552 _exptl_crystal_size_max 0.25 _exptl_crystal_size_mid 0.22 _exptl_crystal_size_min 0.04 _refine_diff_density_max 3.733 _refine_diff_density_min -1.218 _refine_diff_density_rms 0.116 _refine_ls_abs_structure_details ; Flack x determined using 3453 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). x = -0.037(8) by classical fit to all intensities. Hooft parameter y = -0.029(4). ; _refine_ls_abs_structure_Flack -0.037(4) _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.050 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 355 _refine_ls_number_reflns 8673 _refine_ls_number_restraints 1 _refine_ls_restrained_S_all 1.050 _refine_ls_R_factor_all 0.0332 _refine_ls_R_factor_gt 0.0266 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0160P)^2^+3.6540P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0578 _refine_ls_wR_factor_ref 0.0607 _reflns_Friedel_coverage 0.937 _reflns_Friedel_fraction_full 0.995 _reflns_Friedel_fraction_max 0.997 _reflns_number_gt 7670 _reflns_number_total 8673 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file W-bisimido.cif _cod_data_source_block 16_11srv222 _cod_database_code 4515812 _shelx_shelxl_version_number 2016/6 _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 0.848 _shelx_estimated_absorpt_t_min 0.415 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups, All C(H,H) groups 2. Others Uiso(H1A)=Uiso(H1B)=Uiso(H1C)=FVAR(1) Uiso(H4A)=Uiso(H4B)=Uiso(H4C)=FVAR(2) Uiso(H18A)=Uiso(H18B)=Uiso(H18C)=FVAR(3) Uiso(H19A)=Uiso(H19B)=Uiso(H19C)=FVAR(4) Uiso(H21A)=Uiso(H21B)=Uiso(H21C)=FVAR(5) Uiso(H22A)=Uiso(H22B)=Uiso(H22C)=FVAR(6) 3.a Riding coordinates: C7(H7), C8(H8), C9(H9), C13(H13), C14(H14), C15(H15), C17(H17), C20(H20) 3.b Rotating group: C1(H1A,H1B,H1C), C4(H4A,H4B,H4C), C18(H18A,H18B,H18C), C19(H19A,H19B,H19C), C21(H21A,H21B,H21C), C22(H22A,H22B,H22C) 3.c Secondary CH2 refined with riding coordinates: C2(H2A,H2B), C3(H3A,H3B), C23(H23A,H23B) ; _shelx_res_file ; TITL 11srv222 in Pca21 #29 11srv222.res created by SHELXL-2016/6 at 23:55:44 on 08-Nov-2017 REM reset to Pca21 #29 CELL 0.71073 16.4344 10.2454 17.7291 90 90 90 ZERR 4 0.0006 0.0003 0.0007 0 0 0 LATT -1 SYMM -X,-Y,0.5+Z SYMM 0.5-X,+Y,0.5+Z SYMM 0.5+X,-Y,+Z SFAC C H Cl N O W UNIT 92 128 16 16 24 4 L.S. 7 PLAN 6 SIZE 0.04 0.22 0.25 TEMP -153 BOND fmap 2 acta REM REM REM WGHT 0.016000 3.654000 FVAR 0.05158 0.03934 0.02594 0.04183 0.03308 0.02077 0.04113 W1 6 0.162487 0.857778 0.241330 11.00000 0.01335 0.01216 = 0.01499 0.00045 0.00000 0.00030 CL1 3 0.056010 0.996812 0.200415 11.00000 0.01864 0.01862 = 0.02307 0.00098 -0.00181 0.00394 CL2 3 0.299731 0.786867 0.258422 11.00000 0.01549 0.02045 = 0.03080 0.00286 -0.00050 0.00275 O1 5 0.214147 0.915463 0.126882 11.00000 0.02282 0.02251 = 0.01880 0.00272 0.00332 0.00036 O2 5 0.227743 1.057304 0.252617 11.00000 0.01592 0.01693 = 0.02925 0.00087 0.00302 -0.00289 O3 5 0.245165 0.539002 0.146944 11.00000 0.02926 0.03177 = 0.04646 0.00456 0.01800 0.00194 O4 5 0.266743 0.406572 0.240582 11.00000 0.01922 0.03007 = 0.06275 0.00723 -0.00371 0.00648 O5 5 -0.055720 0.737697 0.161673 11.00000 0.03005 0.03551 = 0.04080 0.00688 -0.00226 0.01046 O6 5 -0.074112 0.727492 0.283075 11.00000 0.02981 0.03149 = 0.04027 -0.01031 0.00512 0.00674 N1 4 0.124252 0.706651 0.205581 11.00000 0.01620 0.01670 = 0.01783 -0.00160 -0.00043 0.00071 N2 4 0.137809 0.853258 0.337027 11.00000 0.01211 0.01872 = 0.01504 0.00167 -0.00127 -0.00020 N3 4 0.221870 0.472813 0.199622 11.00000 0.02177 0.01733 = 0.03959 -0.00443 0.00348 0.00214 N4 4 -0.045007 0.688785 0.223640 11.00000 0.01651 0.01823 = 0.04229 -0.00517 0.00056 -0.00230 C1 1 0.173586 0.870336 0.058788 11.00000 0.03911 0.04631 = 0.01122 -0.00525 -0.00327 0.00424 AFIX 7 H1A 2 0.159957 0.777660 0.064081 11.00000 21.00000 H1B 2 0.209830 0.882112 0.015419 11.00000 21.00000 H1C 2 0.123631 0.920807 0.050963 11.00000 21.00000 AFIX 0 C2 1 0.239399 1.049559 0.120912 11.00000 0.02962 0.02805 = 0.02534 0.00535 0.00884 0.00259 AFIX 23 H2A 2 0.191370 1.106520 0.113669 11.00000 -1.20000 H2B 2 0.276023 1.060619 0.077040 11.00000 -1.20000 AFIX 0 C3 1 0.282548 1.085868 0.191406 11.00000 0.02617 0.01844 = 0.04255 0.00330 0.01327 -0.00483 AFIX 23 H3A 2 0.333327 1.034678 0.196640 11.00000 -1.20000 H3B 2 0.296589 1.179832 0.190996 11.00000 -1.20000 AFIX 0 C4 1 0.262380 1.094360 0.325240 11.00000 0.02503 0.02762 = 0.02937 -0.00579 -0.00619 -0.00500 AFIX 7 H4A 2 0.225109 1.068586 0.365748 11.00000 31.00000 H4B 2 0.270524 1.189075 0.326661 11.00000 31.00000 H4C 2 0.314779 1.050259 0.332150 11.00000 31.00000 AFIX 0 C5 1 0.090279 0.585642 0.214745 11.00000 0.01331 0.02145 = 0.01784 -0.00187 -0.00342 -0.00402 C6 1 0.134677 0.468436 0.216610 11.00000 0.02594 0.02666 = 0.03100 -0.01819 0.01335 -0.01361 C7 1 0.099679 0.349292 0.230964 11.00000 0.02346 0.01711 = 0.02966 -0.00396 -0.00161 0.00044 AFIX 3 H7 2 0.132639 0.273192 0.232884 11.00000 -1.20000 AFIX 0 C8 1 0.016382 0.339515 0.242667 11.00000 0.02096 0.01891 = 0.03234 -0.00113 0.00207 -0.00354 AFIX 3 H8 2 -0.007938 0.257025 0.252177 11.00000 -1.20000 AFIX 0 C9 1 -0.030926 0.451531 0.240325 11.00000 0.01639 0.02107 = 0.03085 -0.00249 0.00127 -0.00223 AFIX 3 H9 2 -0.088046 0.446751 0.248135 11.00000 -1.20000 AFIX 0 C10 1 0.006158 0.570287 0.226477 11.00000 0.01323 0.01910 = 0.02661 -0.00275 -0.00338 0.00129 C11 1 0.124091 0.839217 0.413913 11.00000 0.01363 0.02464 = 0.01179 0.00202 -0.00121 -0.00584 C12 1 0.151311 0.722992 0.450088 11.00000 0.02067 0.02225 = 0.01957 0.00339 -0.00490 -0.00398 C13 1 0.139032 0.714569 0.527902 11.00000 0.02772 0.02822 = 0.02127 0.00773 -0.00231 -0.00347 AFIX 3 H13 2 0.156812 0.638669 0.553902 11.00000 -1.20000 AFIX 0 C14 1 0.101560 0.814022 0.568426 11.00000 0.02727 0.04338 = 0.01401 0.00492 0.00061 -0.00328 AFIX 3 H14 2 0.094580 0.806112 0.621426 11.00000 -1.20000 AFIX 0 C15 1 0.074133 0.926022 0.530756 11.00000 0.02385 0.03292 = 0.02216 -0.00519 0.00282 -0.00442 AFIX 3 H15 2 0.047873 0.993092 0.558616 11.00000 -1.20000 AFIX 0 C16 1 0.084569 0.940789 0.453719 11.00000 0.01645 0.02249 = 0.01906 -0.00188 0.00140 -0.00439 C17 1 0.192202 0.613717 0.407465 11.00000 0.02450 0.02426 = 0.02495 0.00584 -0.00188 0.00232 AFIX 3 H17 2 0.188862 0.634787 0.352475 11.00000 -1.20000 AFIX 0 C18 1 0.282327 0.603363 0.428296 11.00000 0.03093 0.03536 = 0.03211 -0.00048 -0.00526 0.00880 AFIX 7 H18A 2 0.308759 0.688019 0.420398 11.00000 41.00000 H18B 2 0.308515 0.537422 0.396452 11.00000 41.00000 H18C 2 0.287427 0.578067 0.481388 11.00000 41.00000 AFIX 0 C19 1 0.149138 0.483188 0.419887 11.00000 0.05134 0.02380 = 0.03131 0.00475 0.00217 -0.00542 AFIX 7 H19A 2 0.151355 0.460120 0.473489 11.00000 51.00000 H19B 2 0.176218 0.415243 0.390158 11.00000 51.00000 H19C 2 0.092212 0.490561 0.403974 11.00000 51.00000 AFIX 0 C20 1 0.049692 1.057227 0.411429 11.00000 0.01958 0.02256 = 0.02101 0.00118 0.00267 0.00059 AFIX 3 H20 2 0.083622 1.071787 0.365369 11.00000 -1.20000 AFIX 0 C21 1 -0.037013 1.024741 0.385864 11.00000 0.02056 0.02987 = 0.02840 -0.00150 0.00180 0.00214 AFIX 7 H21A 2 -0.035894 0.948095 0.352808 11.00000 61.00000 H21B 2 -0.059791 1.099208 0.358319 11.00000 61.00000 H21C 2 -0.070855 1.006150 0.430084 11.00000 61.00000 AFIX 0 C22 1 0.050561 1.183298 0.458091 11.00000 0.03856 0.02698 = 0.03642 -0.00578 0.00157 -0.00400 AFIX 7 H22A 2 0.013825 1.173924 0.501294 11.00000 71.00000 H22B 2 0.032475 1.256356 0.426592 11.00000 71.00000 H22C 2 0.105922 1.200143 0.476186 11.00000 71.00000 AFIX 0 CL3 3 -0.156110 0.728574 0.487832 11.00000 0.05070 0.04106 = 0.06331 -0.01727 0.01010 0.00234 CL4 3 -0.044613 0.519193 0.533227 11.00000 0.03964 0.05988 = 0.03733 0.01239 -0.00216 -0.01320 C23 1 -0.063502 0.646269 0.469184 11.00000 0.02953 0.04827 = 0.03278 0.00728 0.00086 -0.00517 AFIX 23 H23A 2 -0.065222 0.610080 0.417432 11.00000 -1.20000 H23B 2 -0.018134 0.709712 0.471518 11.00000 -1.20000 AFIX 0 HKLF 4 REM 11srv222 in Pca21 #29 REM R1 = 0.0266 for 7670 Fo > 4sig(Fo) and 0.0332 for all 8673 data REM 355 parameters refined using 1 restraints END WGHT 0.0154 3.6897 REM Highest difference peak 3.733, deepest hole -1.218, 1-sigma level 0.116 Q1 1 0.0127 0.1425 0.2418 11.00000 0.05 3.73 Q2 1 0.1647 0.4210 0.2419 11.00000 0.05 3.10 Q3 1 0.0574 0.9987 0.2824 11.00000 0.05 1.25 Q4 1 0.2994 0.7891 0.2199 11.00000 0.05 1.11 Q5 1 0.1217 1.0018 0.2031 11.00000 0.05 1.01 Q6 1 0.0560 0.2836 0.2023 11.00000 0.05 0.93 ; _shelx_res_checksum 74940 _shelx_hkl_file ; 0 1 0 78.41 5.28 0 -1 0 82.47 5.22 0 -1 0 80.41 5.29 0 1 0 79.31 5.31 0 1 0 81.63 5.22 0 2 0 3.60 0.28 0 2 0 3.33 0.38 0 -2 0 3.34 0.39 0 -2 0 3.82 0.39 0 -2 0 3.51 0.27 0 -3 0 117.99 7.99 0 -3 0 118.79 7.88 0 3 0 121.87 7.99 0 3 0 120.32 8.02 0 -3 0 125.59 8.00 0 4 0 16.88 1.26 0 4 0 15.58 1.11 0 -4 0 16.79 1.29 0 -4 0 16.92 1.12 0 -4 0 16.05 1.25 0 -5 0 25.03 1.89 0 5 0 26.16 1.90 0 -5 0 26.19 1.94 0 -6 0 25.45 1.96 0 6 0 27.96 1.99 0 -6 0 26.34 2.02 0 -7 0 102.51 6.98 0 7 0 100.89 6.97 0 -7 0 104.86 6.88 0 8 0 30.22 2.25 0 -8 0 29.29 2.23 0 -8 0 28.98 2.28 0 -9 0 8.47 0.95 0 9 0 8.25 0.91 0 -9 0 7.66 0.82 0 9 0 7.74 0.92 0 -10 0 26.61 2.07 0 10 0 26.68 2.17 0 -10 0 28.76 2.23 0 10 0 25.10 2.12 0 11 0 18.35 1.67 0 -11 0 17.25 1.55 0 11 0 18.74 1.67 0 -11 0 20.83 1.77 0 12 0 1.63 0.55 0 12 0 0.96 0.57 0 -12 0 0.90 0.57 0 13 0 13.11 1.44 0 -13 0 16.47 1.62 0 13 0 13.22 1.52 0 14 0 42.85 3.32 0 14 0 41.36 3.33 0 -14 0 40.16 3.37 -1 0 0 -0.14 0.04 1 0 0 -0.07 0.03 -1 0 0 -0.08 0.03 -1 0 0 -0.08 0.01 1 0 0 -0.05 0.03 1 0 0 -0.09 0.02 -1 -1 0 161.09 10.44 -1 1 0 161.45 10.30 1 -1 0 156.71 10.52 -1 1 0 161.51 10.71 -1 -1 0 158.13 10.53 1 1 0 156.65 10.43 1 -1 0 162.71 10.31 -1 -1 0 159.60 10.57 1 -1 0 161.56 10.45 1 1 0 155.96 10.52 -1 -1 0 163.37 10.30 1 -1 0 155.31 10.65 -1 1 0 157.32 10.53 1 1 0 163.38 10.60 -1 1 0 161.62 10.44 1 1 0 166.58 10.31 1 -2 0 186.14 12.71 -1 2 0 193.82 12.81 -1 -2 0 192.84 12.78 1 -2 0 192.83 12.54 1 2 0 189.54 12.77 1 2 0 200.27 12.56 -1 -2 0 198.20 12.72 -1 -2 0 196.37 12.79 1 2 0 201.84 12.80 -1 -3 0 11.84 0.85 1 3 0 12.06 0.85 -1 -3 0 12.07 0.94 -1 3 0 11.97 0.95 1 -3 0 11.03 0.91 -1 -3 0 12.32 0.93 1 -3 0 11.71 0.95 1 3 0 11.82 0.91 1 4 0 84.84 5.54 1 -4 0 84.60 5.64 1 4 0 84.80 5.62 -1 -4 0 77.91 5.62 -1 -4 0 85.80 5.54 -1 -4 0 87.16 5.57 1 -4 0 83.15 5.55 -1 4 0 81.05 5.64 -1 5 0 161.09 10.63 1 5 0 160.76 10.60 -1 -5 0 165.06 10.50 -1 -5 0 156.11 10.58 1 5 0 148.28 10.48 1 -5 0 161.46 10.44 1 -5 0 165.20 10.60 -1 -5 0 160.18 10.44 1 6 0 35.52 2.47 1 -6 0 33.23 2.44 -1 6 0 34.89 2.48 1 -6 0 33.35 2.50 -1 -6 0 34.55 2.31 -1 -6 0 32.87 2.50 -1 -7 0 0.37 0.13 -1 -7 0 0.57 0.31 1 7 0 0.63 0.35 1 7 0 0.37 0.14 -1 7 0 0.22 0.29 1 -7 0 0.57 0.35 1 -7 0 0.65 0.32 1 7 0 0.32 0.28 1 8 0 27.18 2.19 -1 8 0 30.01 2.25 1 -8 0 27.69 2.21 1 8 0 27.13 2.21 -1 -8 0 32.07 2.17 1 -8 0 31.08 2.29 -1 -8 0 28.85 2.27 1 -9 0 31.23 2.28 1 -9 0 27.81 2.28 1 9 0 28.83 2.29 1 9 0 32.04 2.27 -1 9 0 28.89 2.27 -1 -9 0 25.40 2.26 -1 -9 0 29.62 2.17 1 10 0 20.99 1.74 -1 -10 0 20.62 1.78 1 10 0 20.51 1.78 -1 10 0 22.35 1.77 1 -10 0 21.17 1.81 1 -10 0 19.22 1.66 -1 -10 0 18.95 1.61 1 -11 0 0.32 0.39 1 11 0 2.12 0.56 -1 -11 0 1.56 0.59 -1 -11 0 0.75 0.36 1 -11 0 1.53 0.56 1 11 0 0.86 0.44 -1 11 0 1.37 0.51 -1 11 0 1.54 0.52 1 -12 0 27.02 2.20 -1 -12 0 25.86 2.31 1 12 0 24.49 2.21 -1 12 0 28.26 2.29 1 12 0 29.09 2.33 1 -12 0 29.99 2.39 -1 12 0 27.84 2.32 1 13 0 22.11 2.10 -1 -13 0 26.42 2.23 -1 13 0 22.03 2.07 1 13 0 22.87 2.05 -1 13 0 24.45 2.16 1 -13 0 25.33 2.22 1 -14 0 1.21 0.70 -1 14 0 0.81 0.65 1 14 0 0.16 0.55 -1 -14 0 0.31 0.55 1 14 0 0.27 0.61 -1 14 0 0.84 0.67 -2 0 0 57.30 3.51 -2 0 0 52.83 3.61 2 0 0 53.04 3.59 2 0 0 55.06 3.56 2 0 0 53.86 3.51 2 0 0 54.00 3.61 -2 0 0 53.49 3.60 2 -1 0 28.79 2.00 -2 1 0 29.98 1.96 -2 -1 0 29.19 2.00 2 1 0 29.80 1.94 -2 1 0 29.98 1.97 2 -1 0 29.59 1.93 2 1 0 28.32 1.99 -2 -1 0 28.35 1.94 2 1 0 28.03 1.96 2 -1 0 28.58 1.97 -2 -1 0 29.02 1.96 -2 1 0 29.20 1.93 2 -1 0 30.03 1.96 -2 1 0 29.96 2.01 2 -2 0 6.01 0.50 2 2 0 6.04 0.47 -2 -2 0 6.09 0.42 2 -2 0 5.90 0.45 -2 2 0 5.73 0.44 -2 -2 0 6.53 0.52 -2 -2 0 5.33 0.49 2 -2 0 5.73 0.48 -2 -2 0 6.06 0.47 -2 2 0 5.30 0.56 2 2 0 6.44 0.51 -2 3 0 100.33 6.71 2 3 0 104.36 6.70 -2 -3 0 99.46 6.69 -2 3 0 98.20 6.75 2 3 0 102.56 6.61 -2 -3 0 99.80 6.69 2 -3 0 103.52 6.59 2 -3 0 100.38 6.68 2 -4 0 87.23 5.81 2 4 0 87.84 5.79 -2 -4 0 84.73 5.81 2 -4 0 88.42 5.72 -2 -4 0 89.22 5.75 -2 4 0 83.82 5.84 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3 -5 0 -0.19 0.23 -3 -5 0 -0.17 0.16 -3 -5 0 -0.10 0.13 3 5 0 -0.03 0.20 3 -5 0 -0.05 0.21 3 5 0 -0.04 0.26 -3 5 0 -0.37 0.21 -3 -6 0 0.13 0.31 -3 6 0 0.75 0.33 3 6 0 0.12 0.27 -3 -6 0 0.28 0.19 3 -6 0 0.66 0.35 3 6 0 0.27 0.24 -3 -6 0 0.22 0.16 3 -6 0 0.05 0.24 3 7 0 0.42 0.28 -3 -7 0 0.01 0.31 3 -7 0 0.07 0.30 -3 -7 0 -0.04 0.16 -3 -7 0 0.25 0.20 3 -7 0 -0.16 0.28 3 7 0 0.07 0.33 -3 7 0 0.54 0.33 -3 8 0 10.52 1.06 -3 -8 0 10.06 0.85 3 -8 0 10.74 1.06 -3 -8 0 11.33 1.12 -3 -8 0 8.55 0.80 3 -8 0 10.68 1.09 3 8 0 10.36 0.98 3 8 0 11.16 1.09 -3 9 0 0.52 0.41 3 -9 0 0.38 0.35 -3 -9 0 0.35 0.41 3 9 0 0.35 0.34 3 9 0 0.49 0.38 3 -9 0 -0.12 0.38 3 -10 0 0.26 0.42 3 10 0 0.22 0.39 -3 -10 0 0.15 0.43 -3 10 0 0.73 0.45 3 10 0 0.26 0.33 3 -10 0 0.08 0.44 -3 -11 0 1.39 0.58 3 11 0 0.29 0.48 -3 11 0 0.53 0.49 3 -11 0 0.32 0.36 3 -11 0 0.36 0.50 3 11 0 0.97 0.46 3 -11 0 1.01 0.45 3 12 0 0.09 0.49 -3 -12 0 0.53 0.54 -3 12 0 0.04 0.48 -3 12 0 0.14 0.42 3 -12 0 0.71 0.58 3 -12 0 0.24 0.43 3 12 0 -0.04 0.45 -3 -13 0 -0.07 0.53 3 -13 0 0.06 0.49 3 13 0 -0.26 0.46 -3 13 0 0.37 0.58 -3 13 0 -0.15 0.50 3 -13 0 -0.05 0.54 3 13 0 0.22 0.55 -3 14 0 0.29 0.61 3 -14 0 -0.66 0.52 3 14 0 -0.30 0.58 -3 -14 0 -0.27 0.56 -3 14 0 0.03 0.61 4 0 0 21.85 1.51 4 0 0 22.62 1.50 -4 0 0 22.62 1.53 4 0 0 21.75 1.50 -4 0 0 21.50 1.58 -4 1 0 24.23 1.70 -4 -1 0 24.21 1.65 4 -1 0 22.45 1.62 -4 1 0 25.55 1.72 4 -1 0 24.62 1.65 4 1 0 23.18 1.63 -4 -1 0 24.42 1.74 -4 -1 0 25.30 1.63 -4 2 0 131.74 8.63 4 -2 0 133.33 8.57 4 -2 0 127.97 8.45 -4 -2 0 132.34 8.58 -4 2 0 130.44 8.69 4 2 0 130.31 8.47 -4 -2 0 129.36 8.67 4 3 0 43.71 3.01 4 -3 0 45.28 2.99 -4 -3 0 44.87 3.05 -4 3 0 44.07 3.00 -4 -3 0 43.76 3.07 -4 3 0 44.19 3.12 -4 -3 0 43.66 2.98 4 3 0 46.72 2.98 4 -3 0 46.38 3.04 -4 4 0 32.45 2.14 4 -4 0 32.97 2.21 4 4 0 32.19 2.18 -4 -4 0 32.08 2.23 -4 4 0 32.07 2.32 -4 -4 0 31.33 2.26 4 -4 0 30.18 2.15 4 4 0 30.69 2.23 4 -4 0 32.30 2.24 4 5 0 12.55 0.95 4 -5 0 11.49 0.98 -4 5 0 11.61 0.82 4 5 0 12.70 1.03 -4 5 0 10.80 1.06 -4 -5 0 13.02 0.97 -4 -5 0 12.01 1.04 4 -5 0 10.73 0.99 4 -6 0 25.35 1.84 -4 6 0 22.92 1.88 4 -6 0 26.39 1.91 4 6 0 24.77 1.79 4 6 0 25.39 1.88 -4 -6 0 22.49 1.87 -4 -6 0 23.34 1.76 4 -7 0 75.97 5.05 -4 -7 0 74.36 5.14 4 7 0 75.84 5.02 4 7 0 71.73 5.07 4 -7 0 70.77 5.11 -4 7 0 71.66 5.12 -4 -7 0 73.63 4.96 4 8 0 18.53 1.61 -4 -8 0 16.26 1.34 4 8 0 18.58 1.45 -4 8 0 18.10 1.56 -4 -8 0 18.72 1.62 4 -8 0 16.97 1.54 4 -8 0 19.74 1.55 -4 9 0 9.56 0.99 4 9 0 7.91 0.83 4 -9 0 9.12 0.99 -4 -9 0 7.13 0.94 -4 -9 0 5.47 0.66 4 9 0 7.92 0.97 4 -9 0 8.30 0.94 4 10 0 16.01 1.41 -4 10 0 19.13 1.59 4 -10 0 15.07 1.55 -4 -10 0 16.98 1.58 4 10 0 13.53 1.50 4 -10 0 17.21 1.55 4 11 0 7.61 0.89 4 -11 0 7.60 0.96 4 -11 0 7.86 0.97 4 -11 0 7.54 1.04 -4 11 0 6.55 0.96 -4 -11 0 6.96 1.00 4 11 0 7.16 0.97 4 -12 0 1.24 0.54 -4 -12 0 0.89 0.59 4 12 0 0.55 0.49 4 12 0 0.89 0.56 4 -12 0 0.12 0.50 4 -12 0 1.43 0.61 -4 12 0 0.47 0.55 -4 -13 0 1.93 0.71 4 13 0 0.87 0.63 4 -13 0 -0.16 0.49 -4 13 0 1.23 0.64 4 -13 0 1.56 0.69 -4 13 0 1.41 0.62 4 14 0 10.78 1.37 -4 14 0 9.32 1.35 -4 -14 0 12.89 1.45 4 -14 0 12.47 1.49 -4 14 0 10.65 1.39 -5 0 0 -0.10 0.16 5 0 0 -0.12 0.13 -5 0 0 -0.01 0.20 5 0 0 -0.10 0.13 5 -1 0 278.98 18.58 -5 1 0 283.81 19.00 -5 1 0 286.72 19.00 5 -1 0 289.58 18.83 -5 -1 0 298.44 19.01 -5 -1 0 303.78 18.98 5 1 0 289.24 18.59 -5 -1 0 287.59 18.83 -5 -1 0 285.60 19.03 5 -2 0 164.66 10.65 -5 -2 0 165.61 10.93 -5 2 0 167.15 10.94 -5 2 0 165.06 10.88 5 2 0 163.53 10.66 -5 -2 0 161.89 10.80 5 -2 0 167.10 10.79 -5 3 0 23.64 1.73 5 -3 0 22.76 1.60 5 -3 0 23.02 1.63 5 3 0 22.28 1.53 5 3 0 24.03 1.64 -5 -3 0 22.61 1.68 -5 3 0 21.76 1.60 -5 -3 0 23.44 1.65 -5 -4 0 3.82 0.46 5 4 0 4.25 0.37 5 -4 0 4.01 0.44 5 4 0 3.53 0.45 -5 -4 0 3.13 0.38 -5 -4 0 3.68 0.47 -5 4 0 4.37 0.55 5 -4 0 4.28 0.46 -5 4 0 4.01 0.39 -5 -5 0 137.75 9.03 -5 5 0 137.82 8.92 5 5 0 135.93 8.92 -5 -5 0 134.46 9.03 5 -5 0 135.69 8.88 5 -5 0 137.30 9.01 5 -5 0 132.77 8.93 5 5 0 139.22 8.96 -5 5 0 128.92 9.11 -5 -6 0 56.23 3.84 5 6 0 54.76 3.80 5 -6 0 55.95 3.90 5 -6 0 55.19 3.83 -5 6 0 56.91 3.97 -5 -6 0 52.93 3.91 5 6 0 59.08 3.90 -5 -7 0 0.10 0.22 5 -7 0 -0.08 0.31 5 7 0 0.15 0.31 5 -7 0 0.15 0.32 -5 7 0 0.02 0.31 5 7 0 0.34 0.26 -5 -7 0 -0.06 0.32 5 8 0 41.46 2.99 -5 -8 0 42.47 3.19 -5 8 0 42.34 3.14 5 8 0 43.29 3.14 -5 -8 0 41.15 2.95 5 -8 0 40.50 3.07 5 -8 0 44.20 3.19 -5 -9 0 36.36 2.88 5 9 0 43.10 3.00 -5 -9 0 44.26 3.20 -5 9 0 40.73 3.11 5 -9 0 39.64 3.08 5 9 0 43.42 3.15 5 -9 0 45.14 3.19 -5 10 0 4.62 0.76 5 -10 0 5.31 0.84 -5 -10 0 5.75 0.87 5 10 0 4.27 0.64 5 -10 0 4.24 0.75 5 10 0 4.89 0.82 5 -11 0 5.97 0.95 5 -11 0 7.37 0.97 -5 -11 0 5.55 0.93 -5 11 0 6.21 0.91 5 11 0 5.17 0.91 5 -11 0 6.17 0.89 5 11 0 5.30 0.77 -5 12 0 35.10 2.98 5 -12 0 35.88 2.94 5 -12 0 37.07 2.95 5 -12 0 38.87 3.06 -5 -12 0 39.69 3.05 5 12 0 38.08 3.00 -5 13 0 18.70 1.73 5 -13 0 13.42 1.56 5 -13 0 17.95 1.75 5 13 0 16.70 1.70 -5 -13 0 14.80 1.66 5 -14 0 0.44 0.65 5 14 0 0.35 0.63 -5 -14 0 0.95 0.68 -5 14 0 1.07 0.66 -5 14 0 1.27 0.70 -6 0 0 58.66 3.91 6 0 0 57.29 3.83 6 0 0 59.89 3.89 -6 0 0 57.16 3.99 -6 1 0 19.78 1.46 -6 -1 0 19.51 1.33 6 -1 0 20.08 1.38 6 -1 0 19.34 1.36 6 1 0 19.09 1.38 -6 -1 0 18.38 1.38 -6 1 0 20.89 1.46 -6 -1 0 19.62 1.49 -6 -1 0 19.68 1.32 -6 2 0 76.85 5.16 6 -2 0 78.52 5.09 -6 -2 0 77.59 5.10 -6 -2 0 75.36 5.21 6 2 0 75.12 5.04 -6 2 0 76.43 5.21 6 -2 0 76.55 5.02 -6 -3 0 149.58 10.20 6 3 0 150.30 9.95 -6 3 0 152.27 10.22 -6 3 0 154.46 10.12 6 -3 0 156.40 10.07 6 -3 0 153.93 9.93 -6 -3 0 155.05 10.08 6 4 0 90.09 5.89 6 4 0 88.91 5.85 6 -4 0 87.85 5.93 -6 -4 0 86.91 6.01 -6 4 0 90.05 6.06 -6 -4 0 89.34 5.96 6 -4 0 88.89 5.85 -6 4 0 88.48 5.91 -6 -5 0 13.39 1.09 6 -5 0 14.35 1.10 -6 5 0 12.65 0.96 -6 -5 0 12.60 1.10 6 5 0 13.82 1.10 6 5 0 11.50 0.93 6 -5 0 13.02 1.05 -6 5 0 12.64 1.15 6 6 0 35.28 2.56 -6 -6 0 37.74 2.73 6 -6 0 38.13 2.71 6 6 0 39.62 2.71 -6 6 0 36.59 2.51 -6 6 0 38.11 2.78 -6 -6 0 38.00 2.67 6 -6 0 35.83 2.64 -6 -7 0 101.26 7.18 6 -7 0 105.93 7.06 6 -7 0 110.30 7.19 6 7 0 105.27 7.05 -6 7 0 108.75 7.24 6 7 0 103.72 7.09 -6 -7 0 102.37 7.09 -6 -8 0 39.74 3.01 6 -8 0 39.68 2.92 6 8 0 40.96 2.98 -6 8 0 38.42 2.98 -6 -8 0 39.72 2.81 6 8 0 37.56 2.80 6 -8 0 41.00 3.01 6 9 0 1.05 0.38 6 -9 0 1.00 0.49 -6 -9 0 1.29 0.34 -6 -9 0 1.73 0.57 6 9 0 1.20 0.55 6 -9 0 1.04 0.53 -6 9 0 1.96 0.52 -6 10 0 36.12 2.86 -6 -10 0 37.63 2.92 6 10 0 31.50 2.64 6 -10 0 40.45 2.86 6 -10 0 39.54 2.94 6 10 0 35.77 2.87 6 -11 0 32.90 2.93 6 11 0 38.84 3.02 6 -11 0 39.04 3.06 6 -11 0 35.92 2.92 -6 11 0 39.91 3.02 -6 -11 0 41.24 3.09 6 -12 0 4.20 0.82 6 -12 0 7.48 1.07 6 12 0 5.69 0.96 6 -12 0 4.72 0.86 -6 -12 0 5.18 0.95 -6 12 0 6.41 0.97 6 -13 0 3.23 0.81 -6 -13 0 3.98 0.90 6 -13 0 3.57 0.89 6 -13 0 5.32 0.92 -6 13 0 3.15 0.81 6 13 0 7.22 1.05 -7 0 0 0.22 0.21 7 0 0 -0.04 0.15 7 0 0 -0.03 0.15 -7 0 0 0.03 0.17 -7 -1 0 28.52 2.08 -7 1 0 26.22 1.99 -7 -1 0 28.82 1.89 -7 1 0 28.23 2.02 7 -1 0 29.52 1.91 7 -1 0 28.47 1.93 7 1 0 26.44 1.91 -7 -1 0 27.01 1.93 -7 -1 0 27.19 1.87 -7 -2 0 89.68 6.20 -7 2 0 92.98 6.33 7 2 0 94.91 6.14 -7 -2 0 95.19 6.36 -7 2 0 93.58 6.29 7 -2 0 95.27 6.12 7 -2 0 94.44 6.20 -7 -3 0 37.98 2.73 -7 3 0 35.30 2.73 7 3 0 38.50 2.62 -7 -3 0 39.41 2.65 7 -3 0 37.37 2.63 7 -3 0 39.51 2.59 -7 3 0 38.24 2.65 7 -4 0 11.18 0.93 -7 -4 0 12.22 0.99 7 -4 0 12.64 0.98 -7 -4 0 11.70 1.03 -7 4 0 11.64 1.08 -7 4 0 10.82 0.91 7 4 0 11.59 0.98 -7 -5 0 57.04 3.93 7 5 0 52.79 3.75 7 -5 0 60.04 3.91 7 -5 0 58.09 3.84 -7 -5 0 57.34 3.95 7 5 0 54.55 3.75 -7 5 0 57.52 3.83 7 5 0 56.93 3.88 -7 5 0 57.34 4.02 -7 6 0 7.10 0.80 7 -6 0 6.65 0.74 7 6 0 6.35 0.56 -7 -6 0 6.68 0.76 7 6 0 6.27 0.73 -7 -6 0 6.27 0.71 -7 6 0 7.02 0.59 7 -6 0 7.87 0.75 7 -7 0 1.67 0.43 7 -7 0 2.10 0.47 -7 7 0 2.03 0.51 -7 -7 0 2.03 0.41 7 7 0 2.40 0.49 -7 -7 0 2.69 0.52 -7 7 0 1.41 0.21 7 7 0 1.34 0.29 7 8 0 15.02 1.41 -7 -8 0 15.26 1.28 7 -8 0 15.75 1.40 -7 8 0 16.65 1.46 7 -8 0 15.99 1.46 -7 -8 0 17.44 1.48 7 8 0 12.33 1.18 7 -9 0 31.58 2.39 -7 -9 0 26.93 2.16 7 9 0 27.23 2.38 -7 9 0 33.75 2.43 -7 -9 0 31.33 2.45 7 9 0 26.46 2.13 7 -9 0 29.89 2.42 7 -10 0 17.68 1.64 -7 10 0 16.91 1.58 -7 -10 0 14.87 1.59 7 10 0 14.10 1.57 7 -10 0 16.16 1.56 -7 -11 0 0.91 0.57 7 -11 0 0.64 0.52 7 -11 0 0.38 0.48 7 -11 0 1.17 0.62 7 11 0 0.86 0.54 -7 11 0 1.12 0.58 7 -12 0 11.84 1.37 7 -12 0 12.03 1.43 7 12 0 12.53 1.43 -7 -12 0 11.25 1.40 -7 12 0 12.37 1.41 7 -12 0 10.82 1.32 7 -13 0 8.59 1.31 7 -13 0 13.89 1.57 7 -13 0 12.62 1.42 7 13 0 11.32 1.44 -7 13 0 13.98 1.48 -7 -13 0 11.63 1.45 8 0 0 47.49 3.35 -8 0 0 50.87 3.50 -8 0 0 50.13 3.37 8 0 0 49.98 3.31 -8 -1 0 29.92 2.08 8 1 0 29.33 2.15 -8 1 0 30.85 2.22 -8 -1 0 31.74 2.10 -8 1 0 31.71 2.26 8 -1 0 30.99 2.15 8 1 0 31.98 2.14 8 -1 0 30.76 2.12 -8 -1 0 31.77 2.31 8 -2 0 0.14 0.18 -8 2 0 0.35 0.27 -8 -2 0 0.20 0.19 8 2 0 0.29 0.21 -8 -2 0 0.40 0.27 -8 2 0 0.51 0.25 8 -2 0 0.25 0.18 -8 3 0 0.26 0.30 8 -3 0 0.48 0.21 8 3 0 0.13 0.22 -8 -3 0 0.59 0.32 8 -3 0 0.71 0.24 -8 -3 0 0.30 0.21 -8 3 0 0.42 0.23 8 3 0 0.41 0.10 8 -4 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0.74 10 -9 0 4.61 0.82 10 -10 0 16.08 1.60 10 10 0 13.69 1.55 10 -10 0 15.88 1.65 -10 -10 0 14.82 1.41 -10 10 0 16.25 1.61 -10 -10 0 17.60 1.66 -10 -11 0 3.18 0.86 10 -11 0 4.20 0.86 10 -11 0 2.99 0.83 10 -11 0 4.36 0.89 -10 11 0 3.63 0.82 10 11 0 3.13 0.85 10 12 0 0.09 0.61 10 -12 0 -0.03 0.58 10 -12 0 0.40 0.71 -10 -12 0 0.92 0.70 10 -12 0 0.21 0.52 -10 12 0 -0.19 0.56 -11 0 0 0.42 0.34 11 0 0 0.17 0.20 -11 0 0 0.32 0.20 11 0 0 -0.11 0.19 11 1 0 9.22 0.80 -11 1 0 9.04 0.85 -11 -1 0 8.69 0.97 -11 1 0 9.13 0.95 -11 -1 0 8.28 0.71 11 -1 0 9.28 0.80 11 1 0 9.81 0.82 11 -1 0 9.26 0.80 -11 2 0 81.89 5.58 11 -2 0 81.44 5.45 11 2 0 80.81 5.40 -11 2 0 78.89 5.55 -11 -2 0 83.28 5.69 11 -2 0 79.62 5.37 11 -3 0 32.27 2.33 11 3 0 29.44 2.30 11 -3 0 33.16 2.30 -11 -3 0 32.83 2.52 -11 -3 0 34.43 2.36 -11 3 0 32.83 2.41 11 3 0 32.94 2.23 -11 3 0 31.55 2.46 -11 -4 0 7.55 0.88 11 -4 0 7.95 0.76 11 4 0 7.28 0.74 -11 4 0 7.38 0.78 11 -4 0 5.56 0.67 -11 -4 0 7.04 0.73 -11 4 0 6.76 0.84 -11 -5 0 95.91 6.58 11 -5 0 95.17 6.55 11 5 0 99.30 6.52 -11 5 0 97.54 6.56 -11 5 0 93.42 6.72 -11 -5 0 97.22 6.72 11 -5 0 99.40 6.47 -11 -6 0 49.06 3.57 -11 -6 0 51.64 3.66 11 6 0 50.90 3.56 11 -6 0 51.57 3.49 11 -6 0 48.88 3.54 -11 6 0 53.36 3.72 -11 6 0 44.46 3.45 -11 7 0 -0.15 0.39 -11 7 0 0.30 0.27 11 7 0 0.28 0.40 11 -7 0 -0.02 0.32 -11 -7 0 0.32 0.40 -11 -7 0 0.52 0.41 11 -7 0 0.15 0.37 11 -8 0 20.43 1.84 11 -8 0 21.74 1.81 11 8 0 20.29 1.85 -11 -8 0 23.35 1.87 -11 8 0 22.72 1.95 -11 -8 0 20.34 1.86 11 9 0 42.81 3.36 11 -9 0 40.58 3.27 -11 -9 0 45.36 3.40 11 -9 0 45.20 3.40 -11 -9 0 43.11 3.29 -11 9 0 46.80 3.45 11 -10 0 7.24 1.08 11 -10 0 6.24 0.97 -11 -10 0 6.28 1.00 -11 10 0 7.22 1.03 11 10 0 7.07 1.06 -11 -10 0 5.02 0.80 11 11 0 7.60 1.18 -11 -11 0 8.84 1.23 11 -11 0 7.64 1.19 11 -11 0 8.93 1.24 11 -11 0 7.83 1.15 -11 11 0 5.72 0.99 -11 12 0 25.88 2.21 11 -12 0 20.17 2.06 -11 -12 0 20.26 2.10 11 12 0 21.22 2.10 11 -12 0 21.65 2.19 11 -12 0 21.59 2.09 -12 0 0 26.57 2.12 12 0 0 25.34 1.91 12 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1.27 12 -8 0 11.89 1.30 -12 8 0 13.42 1.39 -12 -8 0 12.91 1.30 12 8 0 11.15 1.26 -12 -8 0 12.07 1.30 12 -9 0 2.60 0.69 -12 -9 0 2.52 0.59 -12 -9 0 3.63 0.76 12 -9 0 1.71 0.60 -12 9 0 3.02 0.68 12 9 0 2.32 0.70 12 10 0 35.72 2.91 12 -10 0 38.75 3.00 12 -10 0 37.30 2.89 -12 -10 0 33.28 2.77 -12 10 0 35.95 2.95 -12 -10 0 33.44 2.93 12 11 0 19.00 1.98 12 -11 0 20.23 2.04 12 -11 0 19.30 1.95 -12 11 0 20.66 1.98 -12 -11 0 21.48 2.03 12 -11 0 18.08 1.92 12 -12 0 0.18 0.62 -12 -12 0 1.55 0.82 12 12 0 0.09 0.69 -12 12 0 0.92 0.58 12 -12 0 0.22 0.66 12 -12 0 0.64 0.74 -13 0 0 -0.22 0.19 -13 0 0 -0.14 0.34 13 0 0 -0.02 0.22 13 0 0 -0.08 0.21 -13 1 0 11.87 1.22 13 1 0 11.82 1.04 13 -1 0 13.92 1.06 13 1 0 13.03 1.07 -13 -1 0 10.93 0.93 -13 -1 0 14.28 1.34 -13 1 0 11.09 1.06 13 -1 0 12.90 1.05 13 -2 0 20.16 1.51 -13 2 0 18.93 1.66 13 2 0 19.27 1.53 13 2 0 17.88 1.53 -13 -2 0 21.91 1.80 -13 2 0 19.21 1.61 13 -2 0 21.23 1.55 13 -3 0 13.56 1.17 13 3 0 13.67 1.19 -13 3 0 12.08 1.23 13 -3 0 12.72 1.14 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1.08 7 0 23 -0.10 0.57 7 0 -23 -0.04 0.50 -7 0 -23 0.01 0.49 7 0 23 -0.30 0.65 -7 0 23 0.14 0.70 -7 -1 23 3.04 0.92 -7 1 -23 2.37 0.72 7 1 23 3.57 0.79 7 1 23 3.21 0.91 7 -1 -23 4.07 0.84 -7 1 23 3.77 1.09 7 -1 23 2.77 0.74 7 -1 23 3.46 0.94 7 1 -23 3.63 0.81 -7 -1 -23 3.98 0.86 7 -2 -23 7.87 1.14 -7 2 -23 9.30 1.21 7 2 23 10.33 1.53 -7 -2 23 8.48 1.38 -7 2 23 8.89 1.50 7 -2 23 10.46 1.35 7 -2 23 8.44 1.18 -7 -2 -23 9.05 1.18 7 2 -23 8.91 1.18 7 -3 -23 3.28 0.75 7 -3 -23 2.52 0.76 -7 -3 23 2.53 0.91 -7 3 -23 3.26 0.83 7 3 23 3.65 1.08 7 -3 23 2.55 0.75 7 -3 23 3.43 0.89 7 3 -23 1.79 0.67 -7 3 23 2.00 0.90 -7 -3 -23 2.52 0.76 -8 0 -23 23.44 2.09 8 0 23 23.52 2.37 8 0 -23 23.17 2.13 8 0 23 21.76 2.06 -8 0 23 23.22 2.44 8 -1 -23 10.38 1.24 -8 1 -23 8.72 1.14 -8 -1 23 7.26 1.38 8 1 23 8.60 1.40 8 1 23 6.72 1.08 -8 1 23 7.97 1.38 -8 -1 -23 8.94 1.15 8 -1 23 9.47 1.32 8 -1 23 7.31 1.16 8 1 -23 6.36 1.08 8 2 23 0.17 0.74 -8 -2 23 0.72 0.82 8 -2 -23 -0.05 0.54 8 -2 -23 0.33 0.62 -8 2 -23 0.84 0.60 8 2 23 0.43 0.64 8 2 -23 0.78 0.58 -8 2 23 -0.21 0.83 8 -2 23 0.89 0.74 8 -2 23 0.67 0.61 -8 -2 -23 -0.15 0.54 0 0 24 36.75 3.23 0 0 -24 37.51 3.02 0 1 24 11.73 1.60 0 -1 24 13.45 1.58 0 -1 -24 12.40 1.38 0 1 -24 10.85 1.36 0 2 24 0.24 0.72 0 -2 -24 0.26 0.55 0 -2 24 -0.12 0.63 0 2 -24 0.31 0.53 0 -3 24 8.09 1.29 0 3 24 9.82 1.46 0 3 -24 9.30 1.18 0 -3 -24 8.34 1.17 -1 0 -24 0.11 0.48 1 0 -24 -0.35 0.46 -1 0 24 0.27 0.70 1 0 24 -0.40 0.62 -1 1 -24 6.51 1.00 1 -1 -24 5.68 0.97 1 1 24 6.19 1.19 -1 -1 24 4.65 1.09 1 1 -24 4.73 0.91 -1 1 24 7.50 1.27 1 -1 24 6.05 1.10 -1 -1 -24 6.14 0.98 -1 -2 24 11.21 1.48 1 2 24 11.53 1.61 1 -2 -24 11.56 1.36 -1 2 -24 10.06 1.30 1 2 -24 10.57 1.32 -1 2 24 10.63 1.59 -1 -2 -24 12.59 1.38 1 -2 24 11.28 1.44 -1 3 -24 2.78 0.77 1 -3 -24 2.31 0.70 1 3 24 1.94 0.92 -1 -3 24 2.05 0.81 1 -3 24 1.70 0.79 1 3 -24 2.07 0.70 -1 -3 -24 3.32 0.76 -1 3 24 1.36 0.87 -2 0 24 2.17 0.78 2 0 24 2.51 0.87 2 0 -24 0.97 0.59 -2 0 -24 0.52 0.56 -2 -1 24 0.74 0.63 2 -1 -24 0.21 0.53 -2 1 -24 0.68 0.58 2 1 24 0.05 0.68 -2 1 24 0.77 0.73 -2 -1 -24 0.31 0.48 2 1 -24 0.17 0.50 2 -1 24 0.14 0.66 2 -2 -24 0.10 0.54 -2 -2 24 -0.21 0.54 2 2 24 0.54 0.66 -2 2 -24 0.32 0.54 2 -2 24 0.15 0.59 -2 2 24 0.09 0.73 2 2 -24 0.64 0.58 -2 -2 -24 0.83 0.59 2 3 24 2.32 0.90 -2 -3 24 2.05 0.75 -2 3 -24 1.42 0.69 2 -3 -24 1.03 0.58 -2 -3 -24 2.67 0.72 2 -3 24 2.01 0.77 2 3 -24 1.77 0.66 -2 3 24 2.51 0.92 -3 0 -24 0.15 0.45 3 0 24 -0.36 0.60 3 0 -24 -0.35 0.48 -3 0 24 0.52 0.63 -3 1 -24 1.42 0.55 3 1 24 0.93 0.74 -3 -1 24 1.00 0.71 3 -1 -24 0.69 0.57 -3 1 24 0.94 0.78 -3 -1 -24 0.88 0.59 3 1 -24 0.21 0.53 3 -1 24 1.28 0.65 3 -2 -24 0.23 0.55 -3 -2 24 0.40 0.69 -3 2 -24 0.33 0.53 3 2 24 0.56 0.68 3 2 -24 1.31 0.56 3 -2 24 0.15 0.64 -3 -2 -24 0.43 0.54 -3 2 24 0.63 0.81 3 3 24 -0.10 0.71 -3 -3 24 0.99 0.70 3 -3 -24 -0.43 0.50 -3 3 -24 -0.39 0.53 -3 -3 -24 0.14 0.59 -3 3 24 -1.00 0.63 3 -3 24 1.44 0.72 3 3 -24 0.29 0.57 4 0 24 7.57 1.24 4 0 -24 7.21 1.07 -4 0 -24 7.50 1.04 -4 0 24 5.15 1.13 -4 1 -24 3.21 0.79 -4 -1 24 3.84 1.01 4 1 24 3.73 1.03 4 -1 -24 4.42 0.85 4 1 -24 3.98 0.78 -4 -1 -24 2.72 0.73 4 -1 24 2.20 0.84 -4 1 24 2.22 0.97 -4 2 -24 2.50 0.74 -4 -2 24 2.42 0.89 4 -2 -24 2.02 0.69 4 2 24 2.10 0.93 -4 2 24 1.32 0.89 -4 -2 -24 3.35 0.78 4 -2 24 2.20 0.79 4 2 -24 1.96 0.70 4 3 24 3.16 1.06 -4 -3 24 3.66 0.97 4 -3 -24 4.27 0.82 -4 3 -24 3.06 0.82 -4 -3 -24 3.27 0.79 -4 3 24 2.86 1.00 4 3 -24 2.85 0.80 4 -3 24 3.73 0.93 -5 0 24 -0.15 0.66 -5 0 -24 0.15 0.55 5 0 -24 -0.29 0.53 5 0 24 0.25 0.63 -5 1 -24 12.23 1.44 5 -1 -24 12.55 1.46 5 1 24 13.40 1.69 -5 -1 24 11.73 1.65 5 1 -24 12.65 1.44 5 -1 24 13.39 1.65 -5 -1 -24 12.38 1.42 -5 1 24 11.18 1.65 -5 2 -24 14.74 1.54 -5 -2 24 12.33 1.72 5 -2 -24 13.18 1.52 5 2 24 17.13 1.89 -5 2 24 14.81 1.86 -5 -2 -24 12.88 1.47 5 2 -24 12.03 1.45 5 -2 24 11.80 1.59 6 0 24 11.46 1.56 -6 0 24 9.97 1.61 6 0 -24 10.81 1.37 -6 0 -24 13.08 1.42 -6 -1 24 2.33 0.94 6 -1 -24 2.31 0.75 6 1 24 1.66 0.90 -6 1 -24 2.61 0.77 -6 1 24 2.06 1.00 6 1 -24 2.25 0.74 6 -1 24 2.10 0.78 -6 -1 -24 3.16 0.76 0 0 0 0.00 0.00 ; _shelx_hkl_checksum 38325 _olex2_submission_special_instructions 'No special instructions were received' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, z+1/2' '-x+1/2, y, z+1/2' 'x+1/2, -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 W1 W 0.16249(2) 0.85778(2) 0.24133(2) 0.01350(5) Uani 1 1 d . Cl1 Cl 0.05601(8) 0.99681(13) 0.20042(7) 0.0201(2) Uani 1 1 d . Cl2 Cl 0.29973(7) 0.78687(13) 0.25842(7) 0.0222(3) Uani 1 1 d . O1 O 0.2141(2) 0.9155(4) 0.1269(2) 0.0214(8) Uani 1 1 d . O2 O 0.2277(2) 1.0573(3) 0.2526(3) 0.0207(10) Uani 1 1 d . O3 O 0.2452(3) 0.5390(4) 0.1469(3) 0.0358(11) Uani 1 1 d . O4 O 0.2667(2) 0.4066(4) 0.2406(5) 0.0373(9) Uani 1 1 d . O5 O -0.0557(3) 0.7377(5) 0.1617(3) 0.0355(11) Uani 1 1 d . O6 O -0.0741(3) 0.7275(5) 0.2831(3) 0.0339(11) Uani 1 1 d . N1 N 0.1243(3) 0.7067(4) 0.2056(2) 0.0169(8) Uani 1 1 d . N2 N 0.1378(3) 0.8533(4) 0.3370(2) 0.0153(8) Uani 1 1 d . N3 N 0.2219(3) 0.4728(5) 0.1996(3) 0.0262(11) Uani 1 1 d . N4 N -0.0450(3) 0.6888(5) 0.2236(3) 0.0257(13) Uani 1 1 d . C1 C 0.1736(4) 0.8703(7) 0.0588(3) 0.0322(15) Uani 1 1 d . H1A H 0.159957 0.777660 0.064081 0.039(13) Uiso 1 1 d GR H1B H 0.209830 0.882112 0.015419 0.039(13) Uiso 1 1 d GR H1C H 0.123631 0.920807 0.050963 0.039(13) Uiso 1 1 d GR C2 C 0.2394(4) 1.0496(6) 0.1209(4) 0.0277(13) Uani 1 1 d . H2A H 0.191370 1.106520 0.113669 0.033 Uiso 1 1 calc R H2B H 0.276023 1.060619 0.077040 0.033 Uiso 1 1 calc R C3 C 0.2825(4) 1.0859(6) 0.1914(4) 0.0291(14) Uani 1 1 d . H3A H 0.333327 1.034678 0.196640 0.035 Uiso 1 1 calc R H3B H 0.296589 1.179832 0.190996 0.035 Uiso 1 1 calc R C4 C 0.2624(4) 1.0944(7) 0.3252(4) 0.0273(13) Uani 1 1 d . H4A H 0.225109 1.068586 0.365748 0.026(11) Uiso 1 1 d GR H4B H 0.270524 1.189075 0.326661 0.026(11) Uiso 1 1 d GR H4C H 0.314779 1.050259 0.332150 0.026(11) Uiso 1 1 d GR C5 C 0.0903(3) 0.5856(5) 0.2147(3) 0.0175(10) Uani 1 1 d . C6 C 0.1347(4) 0.4684(6) 0.2166(3) 0.0279(13) Uani 1 1 d . C7 C 0.0997(3) 0.3493(5) 0.2310(5) 0.0234(15) Uani 1 1 d . H7 H 0.132639 0.273192 0.232884 0.028 Uiso 1 1 d R C8 C 0.0164(3) 0.3395(4) 0.2427(7) 0.0241(9) Uani 1 1 d . H8 H -0.007938 0.257025 0.252177 0.029 Uiso 1 1 d R C9 C -0.0309(3) 0.4515(4) 0.2403(6) 0.0228(9) Uani 1 1 d . H9 H -0.088046 0.446751 0.248135 0.027 Uiso 1 1 d R C10 C 0.0062(3) 0.5703(5) 0.2265(3) 0.0196(13) Uani 1 1 d . C11 C 0.1241(3) 0.8392(5) 0.4139(3) 0.0167(10) Uani 1 1 d . C12 C 0.1513(3) 0.7230(6) 0.4501(3) 0.0208(11) Uani 1 1 d . C13 C 0.1390(4) 0.7146(6) 0.5279(3) 0.0257(12) Uani 1 1 d . H13 H 0.156812 0.638669 0.553902 0.031 Uiso 1 1 d R C14 C 0.1016(4) 0.8140(7) 0.5684(3) 0.0282(13) Uani 1 1 d . H14 H 0.094580 0.806112 0.621426 0.034 Uiso 1 1 d R C15 C 0.0741(4) 0.9260(7) 0.5308(3) 0.0263(12) Uani 1 1 d . H15 H 0.047873 0.993092 0.558616 0.032 Uiso 1 1 d R C16 C 0.0846(3) 0.9408(6) 0.4537(3) 0.0193(10) Uani 1 1 d . C17 C 0.1922(4) 0.6137(6) 0.4075(3) 0.0246(12) Uani 1 1 d . H17 H 0.188862 0.634787 0.352475 0.029 Uiso 1 1 d R C18 C 0.2823(4) 0.6034(7) 0.4283(4) 0.0328(14) Uani 1 1 d . H18A H 0.308759 0.688019 0.420398 0.042(13) Uiso 1 1 d GR H18B H 0.308515 0.537422 0.396452 0.042(13) Uiso 1 1 d GR H18C H 0.287427 0.578067 0.481388 0.042(13) Uiso 1 1 d GR C19 C 0.1491(5) 0.4832(7) 0.4199(4) 0.0355(15) Uani 1 1 d . H19A H 0.151355 0.460120 0.473489 0.033(11) Uiso 1 1 d GR H19B H 0.176218 0.415243 0.390158 0.033(11) Uiso 1 1 d GR H19C H 0.092212 0.490561 0.403974 0.033(11) Uiso 1 1 d GR C20 C 0.0497(3) 1.0572(5) 0.4114(3) 0.0211(11) Uani 1 1 d . H20 H 0.083622 1.071787 0.365369 0.025 Uiso 1 1 d R C21 C -0.0370(3) 1.0247(6) 0.3859(4) 0.0263(12) Uani 1 1 d . H21A H -0.035894 0.948095 0.352808 0.021(10) Uiso 1 1 d GR H21B H -0.059791 1.099208 0.358319 0.021(10) Uiso 1 1 d GR H21C H -0.070855 1.006150 0.430084 0.021(10) Uiso 1 1 d GR C22 C 0.0506(4) 1.1833(7) 0.4581(4) 0.0340(15) Uani 1 1 d . H22A H 0.013825 1.173924 0.501294 0.041(12) Uiso 1 1 d GR H22B H 0.032475 1.256356 0.426592 0.041(12) Uiso 1 1 d GR H22C H 0.105922 1.200143 0.476186 0.041(12) Uiso 1 1 d GR Cl3 Cl -0.15611(12) 0.7286(2) 0.48783(14) 0.0517(5) Uani 1 1 d . Cl4 Cl -0.04461(12) 0.5192(2) 0.53323(11) 0.0456(4) Uani 1 1 d . C23 C -0.0635(4) 0.6463(7) 0.4692(4) 0.0369(16) Uani 1 1 d . H23A H -0.065222 0.610080 0.417432 0.044 Uiso 1 1 calc R H23B H -0.018134 0.709712 0.471518 0.044 Uiso 1 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 W1 0.01335(7) 0.01216(7) 0.01499(8) 0.00045(13) 0.00000(13) 0.00030(6) Cl1 0.0186(5) 0.0186(6) 0.0231(6) 0.0010(5) -0.0018(5) 0.0039(5) Cl2 0.0155(5) 0.0205(6) 0.0308(9) 0.0029(5) -0.0005(4) 0.0028(4) O1 0.0228(19) 0.023(2) 0.0188(19) 0.0027(16) 0.0033(15) 0.0004(16) O2 0.0159(15) 0.0169(16) 0.029(3) 0.0009(16) 0.0030(16) -0.0029(12) O3 0.029(2) 0.032(2) 0.046(3) 0.005(2) 0.018(2) 0.0019(19) O4 0.0192(16) 0.0301(19) 0.063(3) 0.007(4) -0.004(4) 0.0065(14) O5 0.030(2) 0.036(3) 0.041(3) 0.007(2) -0.002(2) 0.010(2) O6 0.030(2) 0.031(3) 0.040(3) -0.010(2) 0.005(2) 0.007(2) N1 0.016(2) 0.017(2) 0.018(2) -0.0016(17) -0.0004(17) 0.0007(17) N2 0.0121(18) 0.019(2) 0.015(2) 0.0017(17) -0.0013(16) -0.0002(16) N3 0.022(2) 0.017(2) 0.040(3) -0.004(2) 0.003(2) 0.0021(18) N4 0.017(2) 0.018(2) 0.042(4) -0.005(2) 0.001(2) -0.0023(17) C1 0.039(4) 0.046(4) 0.011(3) -0.005(2) -0.003(2) 0.004(3) C2 0.030(3) 0.028(3) 0.025(3) 0.005(2) 0.009(3) 0.003(3) C3 0.026(3) 0.018(3) 0.043(4) 0.003(3) 0.013(3) -0.005(2) C4 0.025(3) 0.028(3) 0.029(3) -0.006(3) -0.006(3) -0.005(3) C5 0.013(2) 0.021(3) 0.018(2) -0.002(2) -0.0034(17) -0.0040(19) C6 0.026(3) 0.027(3) 0.031(3) -0.018(2) 0.013(2) -0.014(2) C7 0.023(2) 0.017(2) 0.030(4) -0.004(2) -0.002(3) 0.0004(18) C8 0.0210(19) 0.019(2) 0.032(2) -0.001(4) 0.002(4) -0.0035(16) C9 0.0164(19) 0.021(2) 0.031(2) -0.002(4) 0.001(4) -0.0022(16) C10 0.0132(19) 0.019(2) 0.027(4) -0.003(2) -0.0034(19) 0.0013(18) C11 0.014(2) 0.025(3) 0.012(2) 0.0020(19) -0.0012(19) -0.006(2) C12 0.021(3) 0.022(3) 0.020(3) 0.003(2) -0.005(2) -0.004(2) C13 0.028(3) 0.028(3) 0.021(3) 0.008(2) -0.002(2) -0.003(2) C14 0.027(3) 0.043(4) 0.014(3) 0.005(2) 0.001(2) -0.003(3) C15 0.024(3) 0.033(3) 0.022(3) -0.005(3) 0.003(2) -0.004(2) C16 0.016(2) 0.022(3) 0.019(2) -0.002(2) 0.001(2) -0.004(2) C17 0.024(3) 0.024(3) 0.025(3) 0.006(2) -0.002(2) 0.002(2) C18 0.031(3) 0.035(4) 0.032(3) 0.000(3) -0.005(3) 0.009(3) C19 0.051(4) 0.024(3) 0.031(3) 0.005(3) 0.002(3) -0.005(3) C20 0.020(2) 0.023(3) 0.021(3) 0.001(2) 0.003(2) 0.001(2) C21 0.021(3) 0.030(3) 0.028(3) -0.002(2) 0.002(2) 0.002(2) C22 0.039(4) 0.027(3) 0.036(4) -0.006(3) 0.002(3) -0.004(3) Cl3 0.0507(11) 0.0411(11) 0.0633(13) -0.0173(10) 0.0101(9) 0.0023(8) Cl4 0.0396(9) 0.0599(12) 0.0373(9) 0.0124(8) -0.0022(7) -0.0132(9) C23 0.030(3) 0.048(4) 0.033(4) 0.007(3) 0.001(3) -0.005(3) 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' Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 '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' W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _exptl_crystal_face_index_h _exptl_crystal_face_index_k _exptl_crystal_face_index_l _exptl_crystal_face_perp_dist 0.00 1.00 0.00 0.0200 0.00 -1.00 0.00 0.0200 -2.00 0.00 1.00 0.0950 -1.00 0.00 -3.00 0.1100 1.00 0.00 3.00 0.1100 2.00 0.00 1.00 0.1100 1.00 0.00 -2.00 0.1100 -1.00 0.00 2.00 0.1200 -2.00 0.00 -1.00 0.1200 loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle Cl1 W1 Cl2 156.73(5) O1 W1 Cl1 81.18(10) O1 W1 Cl2 80.79(10) O1 W1 O2 71.06(16) O2 W1 Cl1 80.67(10) O2 W1 Cl2 79.65(9) N1 W1 Cl1 98.78(14) N1 W1 Cl2 96.52(14) N1 W1 O1 92.29(17) N1 W1 O2 163.28(18) N2 W1 Cl1 98.16(15) N2 W1 Cl2 95.05(15) N2 W1 O1 163.68(18) N2 W1 O2 92.69(19) N2 W1 N1 103.9(2) C1 O1 W1 119.1(4) C2 O1 W1 114.9(3) C2 O1 C1 112.0(5) C3 O2 W1 113.8(4) C3 O2 C4 111.6(5) C4 O2 W1 119.1(4) C5 N1 W1 152.3(4) C11 N2 W1 174.0(4) O3 N3 O4 124.7(5) O3 N3 C6 118.9(5) O4 N3 C6 116.5(5) O5 N4 O6 125.9(5) O5 N4 C10 116.8(5) O6 N4 C10 117.4(5) O1 C2 C3 108.4(5) O2 C3 C2 106.5(5) N1 C5 C6 124.4(5) N1 C5 C10 121.3(5) C6 C5 C10 114.3(5) C5 C6 N3 118.5(5) C7 C6 N3 118.4(5) C7 C6 C5 123.1(5) C6 C7 C8 120.3(5) C9 C8 C7 119.3(5) C10 C9 C8 119.1(4) C5 C10 N4 117.5(5) C9 C10 N4 118.6(4) C9 C10 C5 123.9(5) N2 C11 C12 118.5(5) N2 C11 C16 119.2(5) C16 C11 C12 122.3(5) C11 C12 C17 122.3(5) C13 C12 C11 116.8(6) C13 C12 C17 120.9(5) C14 C13 C12 121.9(6) C13 C14 C15 119.7(5) C16 C15 C14 121.3(6) C11 C16 C20 120.3(5) C15 C16 C11 117.9(5) C15 C16 C20 121.7(5) C12 C17 C18 111.2(5) C12 C17 C19 111.8(5) C19 C17 C18 110.6(5) C16 C20 C21 109.0(5) C16 C20 C22 113.0(5) C21 C20 C22 110.6(5) Cl4 C23 Cl3 112.6(4) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance W1 Cl1 2.3701(13) W1 Cl2 2.3889(12) W1 O1 2.278(4) W1 O2 2.317(3) W1 N1 1.787(4) W1 N2 1.745(4) O1 C1 1.454(7) O1 C2 1.439(7) O2 C3 1.440(7) O2 C4 1.458(8) O3 N3 1.216(7) O4 N3 1.238(8) O5 N4 1.220(7) O6 N4 1.223(7) N1 C5 1.369(7) N2 C11 1.389(7) N3 C6 1.465(7) N4 C10 1.478(7) C2 C3 1.484(10) C5 C6 1.406(9) C5 C10 1.407(7) C6 C7 1.373(8) C7 C8 1.388(7) C8 C9 1.387(6) C9 C10 1.383(7) C11 C12 1.425(8) C11 C16 1.415(8) C12 C13 1.397(8) C12 C17 1.509(8) C13 C14 1.391(9) C14 C15 1.402(9) C15 C16 1.385(8) C16 C20 1.521(8) C17 C18 1.530(9) C17 C19 1.529(9) C20 C21 1.532(8) C20 C22 1.534(9) Cl3 C23 1.771(8) Cl4 C23 1.755(7)