#------------------------------------------------------------------------------ #$Date: 2021-05-05 02:36:35 +0300 (Wed, 05 May 2021) $ #$Revision: 264840 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/56/23/1562359.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_1562359 loop_ _publ_author_name 'Corbin, Daniel A.' 'McCarthy, Blaine G.' 'van de Lindt, Zach' 'Miyake, Garret M.' _publ_section_title ; Radical Cations of Phenoxazine and Dihydrophenazine Photoredox Catalysts and Their Role as Deactivators in Organocatalyzed Atom Transfer Radical Polymerization ; _journal_name_full Macromolecules _journal_paper_doi 10.1021/acs.macromol.1c00640 _journal_year 2021 _chemical_formula_moiety 'C26 H22 N2 O2, Cl6 Sb, C6 H6' _chemical_formula_sum 'C32 H28 Cl6 N2 O2 Sb' _chemical_formula_weight 807.01 _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 2020-09-04 _audit_creation_method ; Olex2 1.3 (compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145) ; _cell_angle_alpha 100.421(2) _cell_angle_beta 95.385(2) _cell_angle_gamma 106.067(2) _cell_formula_units_Z 1 _cell_length_a 7.9631(3) _cell_length_b 10.0144(4) _cell_length_c 11.2341(5) _cell_measurement_reflns_used 9963 _cell_measurement_temperature 100.0 _cell_measurement_theta_max 28.59 _cell_measurement_theta_min 2.54 _cell_volume 836.80(6) _computing_cell_refinement 'SAINT V8.40A (Bruker, 2019)' _computing_data_reduction 'SAINT V8.40A (Bruker, 2019)' _computing_molecular_graphics 'Olex2 1.3 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.3 (Dolomanov et al., 2009)' _computing_structure_refinement 'SHELXL 2018/3 (Sheldrick, 2015)' _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' _diffrn_ambient_temperature 100.0 _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.999 _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 0.0870 _diffrn_reflns_av_unetI/netI 0.0429 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.999 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_limit_l_min -15 _diffrn_reflns_number 45173 _diffrn_reflns_point_group_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 0.999 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 29.575 _diffrn_reflns_theta_min 2.168 _diffrn_source_current 30.0 _diffrn_source_power 1.5 _diffrn_source_voltage 50.0 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 1.336 _exptl_absorpt_correction_T_max 0.7465 _exptl_absorpt_correction_T_min 0.6712 _exptl_absorpt_correction_type none _exptl_absorpt_process_details ; SADABS-2016/2 (Bruker,2016) was used for absorption correction. wR2(int) was 0.0751 before and 0.0669 after correction. The Ratio of minimum to maximum transmission is 0.8991. The \l/2 correction factor is Not present. ; _exptl_crystal_colour blue _exptl_crystal_colour_primary blue _exptl_crystal_density_diffrn 1.601 _exptl_crystal_description rod _exptl_crystal_F_000 403 _exptl_crystal_size_max 0.137 _exptl_crystal_size_mid 0.096 _exptl_crystal_size_min 0.087 _refine_diff_density_max 0.756 _refine_diff_density_min -0.443 _refine_diff_density_rms 0.103 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.002 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 197 _refine_ls_number_reflns 4678 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.002 _refine_ls_R_factor_all 0.0461 _refine_ls_R_factor_gt 0.0327 _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^)+(0.0441P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0704 _refine_ls_wR_factor_ref 0.0750 _reflns_Friedel_coverage 0.000 _reflns_number_gt 3953 _reflns_number_total 4678 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file ma1c00640_si_002.cif _cod_data_source_block gm105_0m_20200904_a _cod_database_code 1562359 _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 0.893 _shelx_estimated_absorpt_t_min 0.838 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups At 1.5 times of: All C(H,H,H) groups 2.a Aromatic/amide H refined with riding coordinates: C008(H008), C009(H009), C00A(H00A), C00D(H00D), C00E(H00E), C00F(H00F), C00H(H00H), C00J(H00J), C00K(H00K), C00L(H00L), C00M(H00M) 2.b Idealised Me refined as rotating group: C00I(H00B,H00C,H00G) ; _shelx_res_file ; TITL gm105_0m_20200904_a.res in P-1 gm105_0m_20200904_a.res created by SHELXL-2018/3 at 12:37:20 on 04-Sep-2020 REM Old TITL gm105_0m_20200904 in P1 REM SHELXT solution in P-1 REM R1 0.069, Rweak 0.013, Alpha 0.037, Orientation as input REM Formula found by SHELXT: C32 Cl6 N2 O2 I CELL 0.71073 7.9631 10.0144 11.2341 100.421 95.385 106.067 ZERR 1 0.0003 0.0004 0.0005 0.002 0.002 0.002 LATT 1 SFAC C H Cl N O Sb UNIT 32 28 6 2 2 1 L.S. 10 PLAN 4 SIZE 0.087 0.096 0.137 TEMP -173.15 CONF LIST 6 fmap 2 MORE -1 BOND $H ACTA OMIT 0 0 1 OMIT 0 -1 1 REM REM REM WGHT 0.044100 FVAR 0.69068 SB00 6 1.000000 1.000000 0.500000 10.50000 0.01593 0.01086 = 0.01379 0.00465 0.00370 0.00475 CL02 3 0.867793 0.750962 0.446525 11.00000 0.02697 0.01279 = 0.02205 0.00381 0.00646 0.00397 CL03 3 1.077699 0.995928 0.299326 11.00000 0.03082 0.01949 = 0.01660 0.00493 0.00877 0.00404 CL04 3 0.727900 1.033260 0.434032 11.00000 0.02075 0.02766 = 0.03248 0.00808 -0.00060 0.01218 O005 5 0.708203 0.527710 1.064611 11.00000 0.02658 0.03078 = 0.01551 0.00702 0.00676 0.00892 N006 4 0.942338 0.507484 0.613079 11.00000 0.01352 0.01338 = 0.01522 0.00454 0.00315 0.00352 C007 1 0.768510 0.532386 0.956006 11.00000 0.01611 0.02347 = 0.01403 0.00535 0.00252 0.00512 C008 1 0.799598 0.649950 0.901891 11.00000 0.02040 0.01940 = 0.01698 0.00330 0.00243 0.00767 AFIX 43 H008 2 0.781937 0.735807 0.942252 11.00000 -1.20000 AFIX 0 C009 1 0.856723 0.640407 0.788237 11.00000 0.01935 0.01574 = 0.01943 0.00686 0.00204 0.00426 AFIX 43 H009 2 0.877986 0.719843 0.750473 11.00000 -1.20000 AFIX 0 C00A 1 0.797598 0.407607 0.897445 11.00000 0.02146 0.01969 = 0.01988 0.01069 0.00521 0.00618 AFIX 43 H00A 2 0.778399 0.328395 0.935445 11.00000 -1.20000 AFIX 0 C00B 1 0.880183 0.431902 0.392467 11.00000 0.01636 0.01068 = 0.01770 0.00530 0.00362 0.00416 C00C 1 0.821203 0.438742 0.507699 11.00000 0.01599 0.01162 = 0.01879 0.00542 0.00316 0.00480 C00D 1 0.641966 0.378754 0.512961 11.00000 0.01535 0.01790 = 0.02117 0.00537 0.00560 0.00520 AFIX 43 H00D 2 0.600953 0.382044 0.589851 11.00000 -1.20000 AFIX 0 C00E 1 0.758552 0.367940 0.285497 11.00000 0.01823 0.01693 = 0.01813 0.00583 0.00131 0.00406 AFIX 43 H00E 2 0.797229 0.364224 0.207833 11.00000 -1.20000 AFIX 0 C00F 1 0.583195 0.310521 0.292822 11.00000 0.01920 0.02129 = 0.02030 0.00199 -0.00177 0.00592 AFIX 43 H00F 2 0.500732 0.267444 0.219919 11.00000 -1.20000 AFIX 0 C00G 1 0.882437 0.515472 0.730479 11.00000 0.01359 0.01691 = 0.01320 0.00415 0.00310 0.00506 C00H 1 0.524956 0.314771 0.406002 11.00000 0.01303 0.02030 = 0.02681 0.00395 0.00198 0.00375 AFIX 43 H00H 2 0.403407 0.273203 0.409672 11.00000 -1.20000 AFIX 0 C00I 1 0.676347 0.653277 1.128365 11.00000 0.02623 0.03380 = 0.01809 -0.00162 0.00620 0.00338 AFIX 137 H00B 2 0.588899 0.678274 1.076481 11.00000 -1.50000 H00C 2 0.786972 0.731804 1.148164 11.00000 -1.50000 H00G 2 0.631331 0.635838 1.204157 11.00000 -1.50000 AFIX 0 C00J 1 0.854426 0.398073 0.783983 11.00000 0.01974 0.01677 = 0.02124 0.00500 0.00386 0.00761 AFIX 43 H00J 2 0.873785 0.312888 0.743704 11.00000 -1.20000 AFIX 0 C00K 1 0.363545 -0.006172 -0.088043 11.00000 0.04430 0.02479 = 0.03306 0.00182 -0.00651 0.01175 AFIX 43 H00K 2 0.269338 -0.010526 -0.148573 11.00000 -1.20000 AFIX 0 C00L 1 0.463979 -0.029115 0.113193 11.00000 0.05011 0.02793 = 0.02793 0.00505 0.00007 0.00737 AFIX 43 H00L 2 0.439711 -0.048967 0.190436 11.00000 -1.20000 AFIX 0 C00M 1 0.327986 -0.034951 0.024163 11.00000 0.03910 0.02280 = 0.03874 0.00074 0.00403 0.00824 AFIX 43 H00M 2 0.209589 -0.058886 0.040384 11.00000 -1.20000 AFIX 0 HKLF 4 REM gm105_0m_20200904_a.res in P-1 REM wR2 = 0.0750, GooF = S = 1.002, Restrained GooF = 1.002 for all data REM R1 = 0.0327 for 3953 Fo > 4sig(Fo) and 0.0461 for all 4678 data REM 197 parameters refined using 0 restraints END WGHT 0.0345 0.1661 REM Highest difference peak 0.756, deepest hole -0.443, 1-sigma level 0.103 Q1 1 1.1061 0.9934 0.5406 11.00000 0.05 0.76 Q2 1 1.0509 1.0375 0.4541 11.00000 0.05 0.74 Q3 1 0.6949 0.9486 0.4000 11.00000 0.05 0.65 Q4 1 0.9665 0.4578 0.4008 11.00000 0.05 0.55 ; _shelx_res_checksum 72361 _shelx_hkl_file ; -1 0 0 3512.35 120.89 -1 0 0 3677.63 122.89 -1 0 0 3616.04 123.19 -1 0 0 3315.47 123.69 -1 0 0 3445.36 121.39 1 0 0 2944.41 123.79 -2 0 0 63.89 9.00 -2 0 0 51.49 13.70 -2 0 0 78.29 8.30 -2 0 0 71.79 14.90 -2 0 0 69.19 15.80 -2 0 0 63.49 14.40 -2 0 0 71.29 16.50 -2 0 0 59.69 12.90 2 0 0 63.99 13.50 2 0 0 64.09 12.70 2 0 0 55.69 15.30 2 0 0 56.69 15.40 2 0 0 82.69 11.20 2 0 0 100.59 18.00 2 0 0 63.99 10.80 2 0 0 62.59 16.20 -3 0 0 41.30 14.10 -3 0 0 51.79 10.60 -3 0 0 56.89 16.20 -3 0 0 54.79 9.10 -3 0 0 54.49 18.40 -3 0 0 57.19 17.90 -3 0 0 53.09 16.90 -3 0 0 56.09 22.20 3 0 0 45.20 15.50 3 0 0 52.39 18.00 3 0 0 49.50 13.00 3 0 0 30.60 17.50 3 0 0 61.69 13.10 3 0 0 40.70 18.50 3 0 0 55.29 14.60 -4 0 0 106.09 11.70 -4 0 0 91.29 20.30 -4 0 0 91.99 17.10 -4 0 0 100.49 23.00 -4 0 0 105.09 20.10 -4 0 0 114.39 13.20 4 0 0 87.69 17.90 4 0 0 75.89 21.30 4 0 0 115.39 15.90 4 0 0 74.39 25.30 4 0 0 101.69 18.60 4 0 0 95.89 21.20 4 0 0 96.59 16.60 -5 0 0 -6.80 19.30 -5 0 0 23.20 22.90 -5 0 0 0.40 15.50 -5 0 0 8.10 11.10 -5 0 0 4.10 11.00 -5 0 0 -5.00 20.20 5 0 0 6.80 15.70 5 0 0 0.90 20.10 5 0 0 -12.00 17.80 5 0 0 -6.90 16.50 5 0 0 23.80 22.30 5 0 0 -51.79 19.50 5 0 0 7.50 16.10 -6 0 0 70.39 28.40 -6 0 0 83.29 28.00 -6 0 0 76.99 21.10 -6 0 0 95.19 15.80 -6 0 0 74.99 25.90 6 0 0 63.19 25.30 6 0 0 92.19 28.20 6 0 0 89.59 27.60 6 0 0 76.59 23.80 6 0 0 106.69 24.30 6 0 0 112.09 21.40 6 0 0 104.29 22.00 -7 0 0 318.57 37.80 -7 0 0 296.27 41.30 -7 0 0 284.97 44.00 -7 0 0 361.86 39.90 7 0 0 276.27 38.00 7 0 0 300.87 36.10 7 0 0 252.97 38.50 7 0 0 320.97 38.30 7 0 0 349.07 30.20 7 0 0 317.17 40.60 7 0 0 382.86 32.30 -8 0 0 324.37 51.09 -8 0 0 380.66 48.30 -8 0 0 299.27 41.60 -8 0 0 307.07 43.50 8 0 0 293.27 44.90 8 0 0 329.47 44.20 8 0 0 254.87 41.70 8 0 0 286.07 31.60 8 0 0 306.57 40.70 -9 0 0 15.00 36.80 -9 0 0 67.09 34.50 -9 0 0 75.29 32.40 -9 0 0 47.90 42.60 -9 0 0 58.39 45.00 9 0 0 -25.20 38.20 9 0 0 99.69 41.90 9 0 0 65.09 39.80 9 0 0 80.19 41.80 9 0 0 111.29 31.70 -10 0 0 10.00 41.00 -10 0 0 30.60 43.10 -10 0 0 14.20 48.50 -10 0 0 33.80 36.90 10 0 0 55.89 45.50 10 0 0 12.70 41.10 10 0 0 -16.10 42.00 10 0 0 13.30 49.40 10 0 0 -0.60 60.69 10 -1 0 190.88 51.89 10 -1 0 189.58 47.10 10 -1 0 106.69 50.39 10 -1 0 218.68 55.29 -10 1 0 181.98 45.80 -10 1 0 281.17 44.80 -10 1 0 218.08 42.10 -10 1 0 210.78 55.09 9 -1 0 67.29 39.40 9 -1 0 39.60 28.80 9 -1 0 69.89 36.20 9 -1 0 -14.20 36.30 9 -1 0 56.19 39.20 -9 1 0 75.69 36.70 -9 1 0 -4.60 39.60 -9 1 0 101.89 44.30 -9 1 0 107.29 33.30 8 -1 0 207.88 37.40 8 -1 0 187.78 26.40 8 -1 0 155.18 37.30 8 -1 0 103.39 36.80 8 -1 0 167.98 38.10 8 -1 0 110.09 35.10 -8 1 0 178.98 30.20 -8 1 0 168.58 41.30 -8 1 0 145.69 38.60 -8 1 0 130.59 35.50 7 -1 0 157.48 31.20 7 -1 0 144.69 31.60 7 -1 0 181.08 36.60 7 -1 0 221.48 23.10 7 -1 0 208.88 23.50 7 -1 0 195.38 33.30 7 -1 0 166.18 32.70 -7 1 0 227.98 29.00 -7 1 0 221.68 36.70 -7 1 0 159.08 32.00 -7 1 0 157.18 37.10 6 -1 0 -3.50 22.40 6 -1 0 3.50 15.80 6 -1 0 20.40 22.60 6 -1 0 -12.30 20.30 6 -1 0 24.00 21.20 6 -1 0 -4.80 15.80 6 -1 0 17.30 23.40 -6 1 0 9.00 24.90 -6 1 0 16.60 11.10 -6 1 0 26.20 18.60 -6 1 0 6.80 22.60 -6 1 0 16.50 22.80 5 -1 0 11.40 19.60 5 -1 0 69.49 14.90 5 -1 0 49.10 19.50 5 -1 0 56.79 20.40 5 -1 0 42.50 19.80 5 -1 0 49.70 15.00 5 -1 0 60.79 21.50 -5 1 0 50.69 20.50 -5 1 0 30.20 10.80 -5 1 0 56.99 22.60 -5 1 0 51.59 20.50 -5 1 0 60.09 17.30 4 -1 0 1349.96 60.99 4 -1 0 1201.18 66.49 4 -1 0 1345.57 62.69 4 -1 0 1348.97 61.99 4 -1 0 1471.75 54.49 4 -1 0 1424.96 54.19 4 -1 0 1371.76 60.59 -4 1 0 1423.76 59.49 -4 1 0 1398.16 63.69 -4 1 0 1319.27 52.99 -4 1 0 1354.86 65.79 -4 1 0 1359.76 63.09 3 -1 0 3390.76 128.29 3 -1 0 3289.57 128.79 3 -1 0 3418.46 128.89 3 -1 0 3520.25 123.69 3 -1 0 3456.45 124.09 3 -1 0 3276.77 129.59 3 -1 0 3371.56 128.09 3 -1 0 3437.76 129.79 -3 1 0 3376.26 129.39 -3 1 0 3417.16 132.19 -3 1 0 3615.44 130.19 -3 1 0 3453.65 124.09 -3 1 0 3692.63 129.69 -3 1 0 3423.56 130.09 -3 1 0 3435.66 126.69 2 -1 0 5426.06 197.68 2 -1 0 5456.45 197.98 2 -1 0 5618.64 197.08 2 -1 0 5801.62 199.98 2 -1 0 5548.64 195.08 2 -1 0 5431.56 197.98 2 -1 0 5142.49 198.38 2 -1 0 5681.33 194.28 2 -1 0 5238.08 197.38 -2 1 0 5529.75 198.08 -2 1 0 5621.44 196.58 -2 1 0 5602.44 198.68 -2 1 0 5083.79 198.98 -2 1 0 5540.75 195.08 -2 1 0 5728.03 197.88 1 -1 0 346.27 18.70 1 -1 0 335.77 18.30 1 -1 0 324.47 18.30 1 -1 0 376.76 19.80 1 -1 0 345.17 17.90 -1 1 0 369.76 16.70 -1 1 0 386.56 17.30 -1 1 0 385.26 17.50 0 1 0 47.80 4.90 -1 -1 0 128.09 14.70 -1 -1 0 114.19 11.30 -1 -1 0 131.09 11.40 -1 -1 0 122.89 12.30 -1 -1 0 131.89 13.40 -1 -1 0 88.39 14.00 -1 -1 0 123.59 14.60 -1 -1 0 117.39 14.40 -1 -1 0 112.39 11.30 1 1 0 130.89 13.50 1 1 0 141.59 14.60 1 1 0 132.49 12.30 1 1 0 106.69 12.60 1 1 0 127.29 14.30 1 1 0 106.39 10.70 1 1 0 124.49 9.70 1 1 0 126.29 14.70 -2 -1 0 512.75 31.50 -2 -1 0 473.55 25.70 -2 -1 0 472.65 26.40 -2 -1 0 481.15 32.10 -2 -1 0 451.75 28.00 -2 -1 0 482.25 33.30 -2 -1 0 464.15 24.90 -2 -1 0 527.85 33.10 2 1 0 462.25 31.90 2 1 0 440.66 25.20 2 1 0 451.35 32.00 2 1 0 473.25 29.20 2 1 0 497.75 32.70 2 1 0 475.85 33.80 2 1 0 476.85 26.40 2 1 0 486.35 26.80 -3 -1 0 2119.39 76.09 -3 -1 0 1941.01 76.29 -3 -1 0 1792.92 80.99 -3 -1 0 1909.41 78.69 -3 -1 0 1880.71 79.39 -3 -1 0 1834.12 73.79 -3 -1 0 1957.80 72.99 3 1 0 1985.00 74.89 3 1 0 1816.72 74.29 3 1 0 1847.32 79.29 3 1 0 1948.51 79.39 3 1 0 1874.61 74.69 3 1 0 1778.32 79.59 3 1 0 1939.31 75.49 -4 -1 0 751.42 46.10 -4 -1 0 788.02 35.20 -4 -1 0 715.83 35.50 -4 -1 0 729.03 44.70 -4 -1 0 670.33 48.10 -4 -1 0 727.93 40.20 4 1 0 641.74 44.80 4 1 0 700.23 45.90 4 1 0 696.63 38.60 4 1 0 722.43 39.00 4 1 0 781.72 40.00 4 1 0 750.42 40.10 4 1 0 685.83 44.30 -5 -1 0 363.26 41.00 -5 -1 0 395.16 27.40 -5 -1 0 378.86 45.70 -5 -1 0 357.06 32.30 -5 -1 0 366.36 40.50 -5 -1 0 362.56 27.40 5 1 0 378.36 42.30 5 1 0 342.57 33.60 5 1 0 406.06 34.50 5 1 0 345.17 32.10 5 1 0 370.96 40.50 5 1 0 368.56 41.70 5 1 0 370.36 42.20 -6 -1 0 159.18 25.00 -6 -1 0 155.68 31.40 -6 -1 0 125.79 46.30 -6 -1 0 108.79 33.70 -6 -1 0 137.69 20.10 6 1 0 135.39 31.90 6 1 0 114.99 25.60 6 1 0 95.69 24.10 6 1 0 145.89 31.50 6 1 0 158.28 25.30 6 1 0 188.68 34.30 -7 -1 0 201.38 30.00 -7 -1 0 172.28 35.50 -7 -1 0 186.78 30.00 -7 -1 0 192.98 38.50 -7 -1 0 207.58 42.20 7 1 0 197.48 35.80 7 1 0 189.68 31.40 7 1 0 208.38 39.30 7 1 0 164.48 36.00 7 1 0 227.58 29.50 -8 -1 0 -10.00 40.20 -8 -1 0 85.89 30.60 -8 -1 0 39.40 54.39 -8 -1 0 71.19 36.30 -8 -1 0 58.69 38.10 8 1 0 49.70 36.50 8 1 0 114.39 34.90 8 1 0 51.29 29.00 8 1 0 15.90 36.30 8 1 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202.68 30.70 6 -5 0 187.58 28.90 6 -5 0 249.97 28.50 6 -5 0 183.98 28.70 6 -5 0 222.28 30.50 -6 5 0 204.18 21.80 -6 5 0 187.88 29.50 -6 5 0 230.08 26.50 -6 5 0 227.78 34.70 -6 5 0 220.48 24.80 5 -5 0 125.19 22.20 5 -5 0 127.79 23.40 5 -5 0 124.39 23.80 5 -5 0 130.59 24.00 5 -5 0 94.09 20.40 5 -5 0 117.29 23.90 -5 5 0 89.29 22.10 -5 5 0 112.09 18.00 -5 5 0 103.89 20.10 -5 5 0 97.99 18.10 -5 5 0 99.69 25.10 4 -5 0 140.79 21.20 4 -5 0 128.79 18.80 4 -5 0 95.29 20.50 4 -5 0 120.99 21.70 4 -5 0 130.79 21.30 4 -5 0 131.19 18.80 -4 5 0 106.59 22.80 -4 5 0 151.18 18.40 -4 5 0 94.69 19.40 -4 5 0 84.49 17.90 3 -5 0 1115.69 55.49 3 -5 0 1150.08 54.19 3 -5 0 1097.69 54.49 3 -5 0 1239.68 52.69 3 -5 0 1148.09 56.09 3 -5 0 1184.48 51.19 -3 5 0 1255.87 51.59 -3 5 0 1075.49 53.99 2 -5 0 505.15 36.00 2 -5 0 434.96 44.30 2 -5 0 519.45 31.70 2 -5 0 530.85 30.80 2 -5 0 494.95 31.20 2 -5 0 529.95 33.30 2 -5 0 501.75 36.10 -2 5 0 546.75 32.90 1 -5 0 903.51 40.80 1 -5 0 839.22 39.20 1 -5 0 913.21 38.30 1 -5 0 768.02 43.70 1 -5 0 795.02 45.10 1 -5 0 825.32 45.20 -1 5 0 883.71 40.00 -1 5 0 829.22 41.90 0 -5 0 2203.98 80.09 0 -5 0 2127.29 86.39 0 -5 0 1781.22 92.59 0 -5 0 2023.80 86.29 0 -5 0 2072.19 84.79 0 5 0 2079.69 84.39 0 5 0 2078.59 86.59 0 5 0 2147.39 80.79 0 5 0 2177.08 77.19 -1 -5 0 1363.96 50.99 -1 -5 0 1209.08 59.69 -1 -5 0 1204.58 61.59 -1 -5 0 1292.47 61.09 -1 -5 0 1234.08 58.79 1 5 0 1248.58 60.59 1 5 0 1202.98 61.39 1 5 0 1272.47 60.59 1 5 0 1351.76 55.29 -2 -5 0 37.10 22.10 -2 -5 0 47.10 12.70 -2 -5 0 44.40 19.80 -2 -5 0 61.39 20.60 -2 -5 0 43.60 22.00 2 5 0 10.50 21.50 2 5 0 80.49 19.80 2 5 0 37.90 21.00 2 5 0 43.30 21.00 -3 -5 0 113.19 15.10 -3 -5 0 109.09 25.70 -3 -5 0 127.09 24.20 -3 -5 0 89.39 27.00 -3 -5 0 116.69 24.90 3 5 0 145.49 27.30 3 5 0 121.99 24.90 3 5 0 97.29 29.70 3 5 0 52.69 26.60 -4 -5 0 162.38 28.60 -4 -5 0 214.68 35.50 -4 -5 0 206.68 20.70 -4 -5 0 184.78 29.20 -4 -5 0 177.68 32.90 4 5 0 202.18 37.00 4 5 0 216.18 38.10 4 5 0 209.98 32.80 4 5 0 216.98 19.30 4 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423.16 43.70 -3 -6 0 392.96 50.69 -3 -6 0 401.96 43.00 -3 -6 0 380.26 42.10 3 6 0 443.96 45.10 3 6 0 429.36 43.10 -4 -6 0 1009.00 63.89 -4 -6 0 1075.59 64.69 -4 -6 0 933.61 67.49 -4 -6 0 997.30 71.39 4 6 0 999.40 66.59 4 6 0 992.00 70.89 4 6 0 1075.79 64.39 4 6 0 1034.40 73.39 -5 -6 0 186.78 40.20 -5 -6 0 224.88 40.70 -5 -6 0 188.28 36.40 -5 -6 0 239.28 37.60 5 6 0 219.38 39.20 5 6 0 250.27 47.30 5 6 0 192.58 38.60 5 6 0 204.78 44.90 -6 -6 0 12.00 38.90 -6 -6 0 -4.90 34.60 -6 -6 0 -3.00 36.80 -6 -6 0 7.20 33.70 6 6 0 -9.80 41.00 6 6 0 -1.90 34.70 6 6 0 40.50 42.30 6 6 0 42.40 44.90 -7 -6 0 51.99 42.80 -7 -6 0 25.90 44.60 -7 -6 0 14.60 39.50 -7 -6 0 -10.40 45.60 7 6 0 11.40 50.59 7 6 0 -36.80 40.30 7 6 0 0.90 49.10 10 -7 0 275.57 51.89 10 -7 0 380.46 49.40 10 -7 0 301.57 48.60 10 -7 0 231.48 50.79 -10 7 0 231.98 50.29 -10 7 0 302.97 53.39 -10 7 0 280.67 54.99 9 -7 0 31.10 38.30 9 -7 0 -42.50 33.20 9 -7 0 -21.80 34.30 9 -7 0 19.90 35.40 -9 7 0 42.40 38.50 -9 7 0 1.60 37.40 -9 7 0 -2.30 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199.88 40.70 8 -8 0 242.18 34.90 8 -8 0 194.38 42.30 8 -8 0 146.09 35.80 8 -8 0 156.88 34.00 -8 8 0 118.69 39.20 -8 8 0 177.58 35.10 -8 8 0 135.89 41.60 -8 8 0 154.58 26.40 -8 8 0 241.18 40.30 7 -8 0 106.59 34.70 7 -8 0 95.99 32.40 7 -8 0 76.29 31.70 7 -8 0 109.69 29.50 7 -8 0 50.09 31.50 -7 8 0 98.09 30.50 -7 8 0 153.98 33.70 -7 8 0 72.49 29.60 -7 8 0 70.19 23.70 -7 8 0 118.59 19.50 -7 8 0 147.09 38.20 6 -8 0 318.67 40.90 6 -8 0 263.67 36.90 6 -8 0 318.07 39.40 6 -8 0 356.46 37.40 6 -8 0 355.56 40.20 -6 8 0 308.37 31.40 -6 8 0 365.26 46.50 -6 8 0 343.97 37.30 5 -8 0 13.70 24.60 5 -8 0 3.70 24.30 5 -8 0 41.40 24.30 5 -8 0 13.90 24.20 -5 8 0 5.50 23.90 -5 8 0 -2.30 22.10 4 -8 0 46.00 24.90 4 -8 0 25.00 21.70 4 -8 0 -13.60 20.70 4 -8 0 28.90 21.90 4 -8 0 6.70 22.50 -4 8 0 27.30 24.00 -4 8 0 34.70 20.40 3 -8 0 543.75 39.30 3 -8 0 509.85 48.10 3 -8 0 484.15 46.70 3 -8 0 556.04 42.30 -3 8 0 562.24 40.80 -3 8 0 448.06 47.70 2 -8 0 313.57 34.40 2 -8 0 270.47 32.90 2 -8 0 295.47 34.40 2 -8 0 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9 2 -3 61.59 43.40 -9 -2 3 -38.00 39.30 -9 -2 3 -8.80 34.00 -9 -2 3 -30.70 33.20 -9 -2 3 -4.60 33.00 -9 -2 3 55.89 50.69 -9 -2 3 50.59 42.20 8 2 -3 347.27 47.40 8 2 -3 277.87 46.50 8 2 -3 275.77 48.60 8 2 -3 252.67 39.20 8 2 -3 313.07 38.10 -8 -2 3 255.47 48.90 -8 -2 3 228.58 43.00 -8 -2 3 219.28 42.40 -8 -2 3 235.78 31.70 -8 -2 3 302.77 39.10 7 2 -3 65.89 20.90 7 2 -3 78.49 28.70 7 2 -3 45.30 31.80 7 2 -3 105.99 29.60 7 2 -3 65.39 24.50 7 2 -3 62.39 34.90 7 2 -3 37.20 23.10 7 2 -3 56.49 34.60 -7 -2 3 30.70 35.00 -7 -2 3 21.00 31.90 -7 -2 3 65.29 35.70 -7 -2 3 37.30 20.20 -7 -2 3 48.70 33.80 6 2 -3 303.87 40.50 6 2 -3 322.07 34.70 6 2 -3 260.57 36.70 6 2 -3 315.07 32.20 6 2 -3 313.37 27.50 6 2 -3 293.37 36.10 6 2 -3 394.36 30.60 6 2 -3 294.97 33.20 -6 -2 3 300.17 38.90 -6 -2 3 330.27 33.90 -6 -2 3 281.77 36.20 -6 -2 3 260.47 40.10 -6 -2 3 308.17 27.20 5 2 -3 1875.11 84.39 5 2 -3 1814.12 79.59 5 2 -3 1978.10 78.09 5 2 -3 1764.92 86.69 5 2 -3 2133.19 77.49 5 2 -3 1808.82 88.69 5 2 -3 1792.22 83.99 5 2 -3 1938.71 76.49 -5 -2 3 1843.12 88.59 -5 -2 3 1925.11 82.89 -5 -2 3 1832.72 90.59 -5 -2 3 1836.02 84.29 -5 -2 3 1899.91 76.79 4 2 -3 2027.00 77.99 4 2 -3 1876.91 84.49 4 2 -3 1881.71 76.59 4 2 -3 2056.19 76.99 4 2 -3 1877.41 81.99 4 2 -3 1930.01 81.59 4 2 -3 1877.71 86.29 -4 -2 3 1904.71 81.79 -4 -2 3 1878.61 86.99 -4 -2 3 1908.61 78.99 -4 -2 3 1964.30 81.09 -4 -2 3 1838.62 85.09 -4 -2 3 1961.40 75.79 3 2 -3 17.00 19.10 3 2 -3 -3.90 15.00 3 2 -3 36.10 18.30 3 2 -3 2.70 15.20 3 2 -3 12.00 13.80 3 2 -3 -4.90 18.50 -3 -2 3 4.80 15.60 -3 -2 3 5.70 12.20 -3 -2 3 17.60 13.20 -3 -2 3 -11.20 18.80 -3 -2 3 15.00 16.10 -3 -2 3 -14.10 17.90 2 2 -3 500.35 31.90 2 2 -3 436.06 30.30 2 2 -3 415.36 32.90 2 2 -3 499.45 33.40 2 2 -3 511.45 27.70 2 2 -3 491.05 33.90 -2 -2 3 477.55 34.40 -2 -2 3 459.55 30.50 -2 -2 3 479.55 26.10 -2 -2 3 485.95 28.70 -2 -2 3 456.85 34.80 -2 -2 3 460.75 31.80 1 2 -3 451.15 30.00 1 2 -3 479.55 28.10 1 2 -3 493.25 32.40 1 2 -3 447.26 23.80 1 2 -3 426.76 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48.10 -2 0 -14 44.90 38.30 -2 0 -14 -18.30 43.60 -2 0 -14 107.49 46.50 2 0 14 60.89 42.90 2 0 14 32.10 48.30 2 0 14 53.29 49.50 2 0 14 27.30 42.50 2 0 14 24.30 48.30 5 -1 -14 46.00 40.00 5 -1 -14 26.20 41.60 5 -1 -14 -60.39 45.90 5 -1 -14 13.00 39.00 -5 1 14 -58.69 38.10 -5 1 14 -2.50 39.30 -5 1 14 -37.80 44.40 4 -1 -14 171.58 41.30 4 -1 -14 171.38 43.80 4 -1 -14 169.18 46.00 4 -1 -14 8.80 46.50 -4 1 14 184.68 35.00 -4 1 14 126.19 43.10 -4 1 14 175.38 49.40 3 -1 -14 51.99 43.00 3 -1 -14 159.88 42.00 3 -1 -14 110.49 48.60 3 -1 -14 164.48 37.40 3 -1 -14 159.88 44.10 -3 1 14 153.68 44.30 -3 1 14 248.78 35.90 -3 1 14 134.99 41.10 -3 1 14 160.98 48.30 2 -1 -14 255.97 50.19 2 -1 -14 320.27 48.90 2 -1 -14 321.57 39.50 2 -1 -14 365.56 52.29 -2 1 14 336.17 49.80 -2 1 14 226.68 52.49 -2 1 14 329.27 52.09 1 -1 -14 299.67 49.10 1 -1 -14 211.98 53.19 1 -1 -14 306.77 51.19 1 -1 -14 309.57 41.40 -1 1 14 433.86 57.19 -1 1 14 261.67 48.70 -1 1 14 294.67 49.30 0 -1 -14 203.08 47.40 0 -1 -14 281.87 49.60 0 -1 -14 267.67 40.40 0 1 14 185.18 48.70 0 1 14 165.48 49.80 0 1 14 152.38 46.10 0 1 14 116.19 48.20 -1 -1 -14 251.17 49.20 -1 -1 -14 238.78 51.99 -1 -1 -14 180.08 41.90 1 1 14 238.08 49.10 1 1 14 261.17 55.99 1 1 14 346.27 54.89 1 1 14 230.88 54.59 -2 -1 -14 21.10 45.00 -2 -1 -14 16.00 38.80 -2 -1 -14 78.49 48.20 2 1 14 12.20 44.70 2 1 14 -23.30 52.99 2 1 14 -48.80 54.09 2 1 14 79.89 44.80 2 1 14 86.99 48.00 5 -2 -14 10.00 39.30 5 -2 -14 12.40 39.60 5 -2 -14 32.80 50.59 5 -2 -14 99.89 48.30 -5 2 14 119.19 36.60 -5 2 14 49.30 42.90 -5 2 14 44.20 48.20 4 -2 -14 130.59 43.20 4 -2 -14 94.29 48.60 4 -2 -14 103.59 39.10 4 -2 -14 104.69 45.90 -4 2 14 129.49 46.40 -4 2 14 65.19 40.80 -4 2 14 96.39 48.50 -4 2 14 135.89 37.40 3 -2 -14 375.76 54.59 3 -2 -14 478.35 63.29 3 -2 -14 310.27 52.09 3 -2 -14 497.05 48.00 3 -2 -14 348.47 50.79 -3 2 14 464.85 55.09 -3 2 14 411.36 57.49 -3 2 14 454.65 59.89 2 -2 -14 172.48 46.20 2 -2 -14 177.48 38.00 2 -2 -14 59.09 40.40 2 -2 -14 163.68 48.60 -2 2 14 119.39 50.59 -2 2 14 187.88 49.80 -2 2 14 159.28 46.00 1 -2 -14 124.39 37.50 1 -2 -14 170.08 44.40 1 -2 -14 128.79 43.90 -1 2 14 157.68 44.40 -1 2 14 156.88 48.20 -1 2 14 129.19 50.79 0 -2 -14 149.59 47.50 0 -2 -14 121.79 44.60 0 -2 -14 179.18 41.80 0 2 14 114.39 45.90 0 2 14 167.98 50.49 0 2 14 165.38 50.79 -1 -2 -14 77.29 40.30 -1 -2 -14 115.79 48.70 -1 -2 -14 72.99 43.90 1 2 14 66.49 46.90 1 2 14 77.39 48.10 1 2 14 70.09 51.49 4 -3 -14 118.19 47.40 4 -3 -14 197.98 52.99 4 -3 -14 45.20 41.00 4 -3 -14 74.69 51.49 -4 3 14 101.19 50.89 -4 3 14 222.28 48.50 -4 3 14 157.58 48.30 3 -3 -14 306.37 63.89 3 -3 -14 377.36 54.29 3 -3 -14 214.08 47.50 -3 3 14 399.86 55.99 -3 3 14 357.36 59.99 -3 3 14 314.57 54.79 2 -3 -14 190.78 46.80 2 -3 -14 239.58 44.20 2 -3 -14 235.68 51.09 -2 3 14 266.57 54.99 -2 3 14 176.08 54.19 -2 3 14 205.98 49.60 1 -3 -14 83.49 45.90 1 -3 -14 73.69 45.00 1 -3 -14 86.39 38.60 -1 3 14 93.69 46.40 -1 3 14 107.69 52.49 -1 3 14 101.99 48.50 0 -3 -14 137.19 43.20 0 -3 -14 68.39 45.00 0 -3 -14 19.80 46.80 0 3 14 78.39 47.50 0 3 14 109.59 54.29 0 3 14 152.58 49.10 1 6 -15 318.77 55.59 1 6 -15 286.07 47.70 1 6 -15 255.07 55.39 1 6 -15 234.98 45.10 -1 -6 15 236.88 49.60 -1 -6 15 230.58 52.89 -1 -6 15 376.76 56.79 -1 -6 15 384.56 52.69 0 6 -15 39.10 41.40 0 6 -15 19.20 42.90 0 6 -15 39.50 46.20 0 -6 15 37.80 43.10 0 -6 15 91.69 42.00 0 -6 15 9.90 48.30 0 -6 15 58.99 47.40 2 5 -15 -3.30 38.40 2 5 -15 -27.10 43.60 2 5 -15 61.99 45.50 2 5 -15 35.20 42.30 -2 -5 15 79.69 45.10 -2 -5 15 12.70 39.60 -2 -5 15 -24.50 39.80 -2 -5 15 -42.40 46.20 1 5 -15 252.27 47.10 1 5 -15 238.08 49.40 1 5 -15 203.98 47.10 1 5 -15 146.89 48.70 -1 -5 15 242.38 50.59 -1 -5 15 150.98 44.70 -1 -5 15 169.88 50.49 -1 -5 15 234.58 43.30 0 5 -15 432.76 57.89 0 5 -15 414.06 58.79 0 5 -15 401.86 54.49 0 -5 15 295.07 53.49 0 -5 15 402.86 57.99 0 -5 15 471.35 51.39 0 -5 15 447.06 56.09 -1 5 -15 104.39 47.10 -1 5 -15 94.19 44.50 -1 5 -15 113.89 46.90 1 -5 15 99.69 43.30 1 -5 15 179.88 51.89 1 -5 15 233.08 52.99 1 -5 15 99.59 44.10 1 -5 15 150.68 47.20 3 4 -15 131.89 43.30 3 4 -15 151.98 47.20 3 4 -15 162.28 53.89 3 4 -15 138.19 50.09 3 4 -15 103.29 40.30 -3 -4 15 147.69 43.70 -3 -4 15 161.18 38.30 -3 -4 15 142.69 48.00 -3 -4 15 216.38 53.29 -3 -4 15 251.27 44.50 2 4 -15 92.29 39.00 2 4 -15 36.10 39.80 2 4 -15 53.99 46.60 2 4 -15 119.39 46.30 -2 -4 15 74.79 42.50 -2 -4 15 96.59 45.70 -2 -4 15 160.68 40.10 -2 -4 15 78.79 45.60 1 4 -15 232.98 47.80 1 4 -15 188.68 47.30 1 4 -15 202.98 47.90 1 4 -15 129.09 37.70 -1 -4 15 190.88 43.10 -1 -4 15 154.98 49.80 -1 -4 15 227.08 47.10 -1 -4 15 178.78 45.50 0 4 -15 140.69 45.70 0 4 -15 87.79 38.80 0 4 -15 75.49 44.90 0 -4 15 43.80 44.00 0 -4 15 166.18 39.40 0 -4 15 140.29 42.00 0 -4 15 138.59 49.60 -1 4 -15 59.89 40.30 -1 4 -15 70.19 46.60 -1 4 -15 90.19 45.70 1 -4 15 207.38 39.20 1 -4 15 81.09 40.60 1 -4 15 120.99 49.99 1 -4 15 180.08 49.20 1 -4 15 224.08 50.89 -2 4 -15 201.38 50.89 -2 4 -15 272.77 55.49 -2 4 -15 257.37 48.10 2 -4 15 245.08 59.29 2 -4 15 258.57 52.49 2 -4 15 195.08 48.10 2 -4 15 207.58 53.29 2 -4 15 233.98 54.39 3 3 -15 121.59 41.30 3 3 -15 87.39 40.20 3 3 -15 11.10 41.90 3 3 -15 85.09 50.49 3 3 -15 2.70 50.99 -3 -3 15 -31.00 34.50 -3 -3 15 7.10 44.10 -3 -3 15 -4.70 44.10 -3 -3 15 40.20 39.90 2 3 -15 11.00 41.50 2 3 -15 30.90 40.40 2 3 -15 154.68 38.70 2 3 -15 85.69 48.00 -2 -3 15 24.90 40.00 -2 -3 15 46.20 47.10 -2 -3 15 75.79 40.60 -2 -3 15 65.79 38.70 1 3 -15 465.75 59.99 1 3 -15 486.05 58.89 1 3 -15 597.64 61.29 1 3 -15 476.75 47.10 -1 -3 15 475.05 47.00 -1 -3 15 428.76 57.19 -1 -3 15 477.35 53.59 -1 -3 15 526.15 61.99 0 3 -15 712.63 63.49 0 3 -15 653.63 64.69 0 3 -15 614.44 65.49 0 -3 15 662.93 67.79 0 -3 15 767.62 70.19 0 -3 15 646.44 69.59 0 -3 15 682.23 58.89 -1 3 -15 136.09 42.10 -1 3 -15 194.18 49.00 -1 3 -15 99.59 44.90 1 -3 15 119.49 43.90 1 -3 15 140.99 49.99 1 -3 15 192.58 53.19 1 -3 15 287.27 45.50 1 -3 15 135.79 48.30 -2 3 -15 28.60 44.20 -2 3 -15 126.79 47.20 -2 3 -15 84.99 40.60 2 -3 15 170.18 54.49 2 -3 15 23.30 46.60 2 -3 15 94.39 45.60 2 -3 15 49.90 46.00 2 -3 15 41.50 51.59 3 2 -15 82.99 44.60 3 2 -15 118.79 46.80 3 2 -15 249.28 54.99 3 2 -15 121.99 49.99 3 2 -15 121.59 41.40 -3 -2 15 145.49 41.60 -3 -2 15 159.78 43.00 -3 -2 15 51.19 41.50 -3 -2 15 123.39 49.10 2 2 -15 153.38 37.70 2 2 -15 204.08 51.99 2 2 -15 159.48 46.80 2 2 -15 176.78 42.50 -2 -2 15 200.68 45.60 -2 -2 15 225.18 44.00 -2 -2 15 160.18 44.80 -2 -2 15 290.57 54.39 1 2 -15 120.69 36.10 1 2 -15 165.88 45.50 1 2 -15 141.09 46.40 -1 -2 15 143.09 45.90 -1 -2 15 221.88 43.70 -1 -2 15 216.48 36.00 -1 -2 15 154.58 51.49 0 2 -15 249.28 50.39 0 2 -15 167.78 37.90 0 2 -15 203.38 47.40 0 -2 15 217.98 52.59 0 -2 15 178.08 48.20 0 -2 15 237.28 44.70 -1 2 -15 -29.90 39.80 -1 2 -15 -20.70 35.70 -1 2 -15 50.89 45.30 1 -2 15 -61.69 42.60 1 -2 15 92.59 51.69 1 -2 15 81.59 41.40 1 -2 15 82.89 46.10 4 1 -15 86.39 44.00 4 1 -15 96.19 51.89 4 1 -15 25.10 49.99 4 1 -15 74.69 41.50 -4 -1 15 103.39 41.50 -4 -1 15 88.79 50.39 -4 -1 15 54.89 42.30 -4 -1 15 35.30 42.10 3 1 -15 291.37 48.50 3 1 -15 271.67 51.99 3 1 -15 33.90 58.09 3 1 -15 371.66 60.39 3 1 -15 307.87 57.49 -3 -1 15 323.17 54.39 -3 -1 15 313.87 47.60 -3 -1 15 386.06 59.29 -3 -1 15 236.28 39.80 2 1 -15 79.29 36.00 2 1 -15 2.30 47.60 2 1 -15 59.09 41.30 2 1 -15 108.19 41.50 -2 -1 15 68.49 41.90 -2 -1 15 138.89 51.29 -2 -1 15 79.79 35.00 -2 -1 15 31.90 38.70 1 1 -15 213.58 49.40 1 1 -15 164.58 45.50 1 1 -15 285.77 40.60 -1 -1 15 221.28 50.69 -1 -1 15 212.98 46.30 -1 -1 15 212.88 53.29 0 1 -15 83.09 41.40 0 1 -15 180.18 48.30 0 1 -15 164.68 38.60 0 -1 15 203.78 52.99 0 -1 15 224.58 54.49 0 -1 15 275.27 52.39 0 -1 15 68.19 44.20 -1 1 -15 37.60 45.60 -1 1 -15 66.59 44.70 -1 1 -15 24.00 37.20 1 -1 15 30.50 48.20 1 -1 15 160.08 53.49 1 -1 15 51.39 52.19 1 -1 15 80.79 43.20 3 0 -15 20.30 50.19 3 0 -15 -11.20 37.20 3 0 -15 -0.90 49.80 3 0 -15 86.09 43.80 3 0 -15 66.09 61.99 -3 0 15 10.80 49.70 -3 0 15 -3.40 41.10 -3 0 15 27.10 35.90 -3 0 15 2.20 38.40 2 0 -15 105.89 44.10 2 0 -15 -59.59 35.60 2 0 -15 9.20 37.50 -2 0 15 -13.40 37.70 -2 0 15 26.50 49.00 -2 0 15 -27.20 41.70 1 0 -15 110.59 45.40 1 0 -15 67.69 35.60 1 0 -15 109.99 44.20 -1 0 15 -34.70 40.70 -1 0 15 -11.10 48.30 -1 0 15 61.59 40.40 0 0 -15 340.87 44.20 0 0 -15 305.87 55.59 0 0 -15 303.07 54.59 0 0 15 230.38 59.69 0 0 15 307.87 57.49 0 0 15 228.98 54.09 0 0 15 241.18 49.90 3 -1 -15 153.78 45.80 3 -1 -15 152.98 47.00 3 -1 -15 100.29 54.39 -3 1 15 163.38 46.20 -3 1 15 83.89 53.49 -3 1 15 124.29 47.90 2 -1 -15 201.48 41.90 2 -1 -15 162.38 46.50 2 -1 -15 163.88 46.90 -2 1 15 289.47 57.29 -2 1 15 193.08 49.00 -2 1 15 174.38 49.40 1 -1 -15 170.18 48.20 1 -1 -15 238.48 43.70 1 -1 -15 252.67 53.19 -1 1 15 223.28 56.29 -1 1 15 187.88 47.60 -1 1 15 209.88 50.99 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 60475 _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 Sb00 Sb 1.000000 1.000000 0.500000 0.01302(7) Uani 1 2 d S . P . . Cl02 Cl 0.86779(8) 0.75096(6) 0.44652(5) 0.02083(12) Uani 1 1 d . . . . . Cl03 Cl 1.07770(8) 0.99593(6) 0.29933(5) 0.02254(13) Uani 1 1 d . . . . . Cl04 Cl 0.72790(8) 1.03326(7) 0.43403(6) 0.02605(14) Uani 1 1 d . . . . . O005 O 0.7082(2) 0.5277(2) 1.06461(15) 0.0237(4) Uani 1 1 d . . . . . N006 N 0.9423(2) 0.5075(2) 0.61308(16) 0.0139(4) Uani 1 1 d . . . . . C007 C 0.7685(3) 0.5324(3) 0.9560(2) 0.0179(5) Uani 1 1 d . . . . . C008 C 0.7996(3) 0.6499(3) 0.9019(2) 0.0187(5) Uani 1 1 d . . . . . H008 H 0.781937 0.735807 0.942252 0.022 Uiso 1 1 calc R U . . . C009 C 0.8567(3) 0.6404(3) 0.7882(2) 0.0180(5) Uani 1 1 d . . . . . H009 H 0.877986 0.719843 0.750473 0.022 Uiso 1 1 calc R U . . . C00A C 0.7976(3) 0.4076(3) 0.8974(2) 0.0194(5) Uani 1 1 d . . . . . H00A H 0.778399 0.328395 0.935445 0.023 Uiso 1 1 calc R U . . . C00B C 0.8802(3) 0.4319(2) 0.3925(2) 0.0145(4) Uani 1 1 d . . . . . C00C C 0.8212(3) 0.4387(2) 0.5077(2) 0.0150(4) Uani 1 1 d . . . . . C00D C 0.6420(3) 0.3788(3) 0.5130(2) 0.0178(5) Uani 1 1 d . . . . . H00D H 0.600953 0.382044 0.589851 0.021 Uiso 1 1 calc R U . . . C00E C 0.7586(3) 0.3679(3) 0.2855(2) 0.0178(5) Uani 1 1 d . . . . . H00E H 0.797229 0.364224 0.207833 0.021 Uiso 1 1 calc R U . . . C00F C 0.5832(3) 0.3105(3) 0.2928(2) 0.0210(5) Uani 1 1 d . . . . . H00F H 0.500732 0.267444 0.219919 0.025 Uiso 1 1 calc R U . . . C00G C 0.8824(3) 0.5155(2) 0.73048(19) 0.0143(4) Uani 1 1 d . . . . . C00H C 0.5250(3) 0.3148(3) 0.4060(2) 0.0205(5) Uani 1 1 d . . . . . H00H H 0.403407 0.273203 0.409672 0.025 Uiso 1 1 calc R U . . . C00I C 0.6763(4) 0.6533(3) 1.1284(2) 0.0280(6) Uani 1 1 d . . . . . H00B H 0.588899 0.678274 1.076481 0.042 Uiso 1 1 calc R U . . . H00C H 0.786972 0.731804 1.148164 0.042 Uiso 1 1 calc R U . . . H00G H 0.631331 0.635838 1.204157 0.042 Uiso 1 1 calc R U . . . C00J C 0.8544(3) 0.3981(3) 0.7840(2) 0.0186(5) Uani 1 1 d . . . . . H00J H 0.873785 0.312888 0.743704 0.022 Uiso 1 1 calc R U . . . C00K C 0.3635(4) -0.0062(3) -0.0880(3) 0.0352(7) Uani 1 1 d . . . . . H00K H 0.269338 -0.010526 -0.148573 0.042 Uiso 1 1 calc R U . . . C00L C 0.4640(4) -0.0291(3) 0.1132(3) 0.0367(7) Uani 1 1 d . . . . . H00L H 0.439711 -0.048967 0.190436 0.044 Uiso 1 1 calc R U . . . C00M C 0.3280(4) -0.0350(3) 0.0242(3) 0.0347(7) Uani 1 1 d . . . . . H00M H 0.209589 -0.058886 0.040384 0.042 Uiso 1 1 calc R U . . . 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 Sb00 0.01593(11) 0.01086(11) 0.01379(11) 0.00465(8) 0.00370(8) 0.00475(8) Cl02 0.0270(3) 0.0128(3) 0.0221(3) 0.0038(2) 0.0065(2) 0.0040(2) Cl03 0.0308(3) 0.0195(3) 0.0166(3) 0.0049(2) 0.0088(2) 0.0040(2) Cl04 0.0207(3) 0.0277(3) 0.0325(3) 0.0081(3) -0.0006(2) 0.0122(3) O005 0.0266(9) 0.0308(10) 0.0155(8) 0.0070(7) 0.0068(7) 0.0089(8) N006 0.0135(9) 0.0134(9) 0.0152(9) 0.0045(7) 0.0032(7) 0.0035(7) C007 0.0161(11) 0.0235(12) 0.0140(10) 0.0053(9) 0.0025(8) 0.0051(9) C008 0.0204(11) 0.0194(12) 0.0170(11) 0.0033(9) 0.0024(9) 0.0077(9) C009 0.0194(11) 0.0157(11) 0.0194(11) 0.0069(9) 0.0020(9) 0.0043(9) C00A 0.0215(12) 0.0197(12) 0.0199(11) 0.0107(9) 0.0052(9) 0.0062(9) C00B 0.0164(10) 0.0107(10) 0.0177(10) 0.0053(8) 0.0036(8) 0.0042(8) C00C 0.0160(11) 0.0116(10) 0.0188(11) 0.0054(8) 0.0032(8) 0.0048(8) C00D 0.0153(11) 0.0179(11) 0.0212(11) 0.0054(9) 0.0056(9) 0.0052(9) C00E 0.0182(11) 0.0169(11) 0.0181(11) 0.0058(9) 0.0013(9) 0.0041(9) C00F 0.0192(12) 0.0213(12) 0.0203(11) 0.0020(9) -0.0018(9) 0.0059(10) C00G 0.0136(10) 0.0169(11) 0.0132(10) 0.0041(8) 0.0031(8) 0.0051(8) C00H 0.0130(11) 0.0203(12) 0.0268(12) 0.0040(10) 0.0020(9) 0.0037(9) C00I 0.0262(13) 0.0338(15) 0.0181(12) -0.0016(11) 0.0062(10) 0.0034(11) C00J 0.0197(11) 0.0168(11) 0.0212(11) 0.0050(9) 0.0039(9) 0.0076(9) C00K 0.0443(18) 0.0248(14) 0.0331(15) 0.0018(12) -0.0065(13) 0.0117(13) C00L 0.0501(19) 0.0279(15) 0.0279(15) 0.0051(12) 0.0001(13) 0.0074(14) C00M 0.0391(17) 0.0228(14) 0.0387(16) 0.0007(12) 0.0040(13) 0.0082(12) 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' 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 Cl02 Sb00 Cl02 180.0 2_776 . ? Cl02 Sb00 Cl03 90.11(2) 2_776 . ? Cl02 Sb00 Cl03 89.89(2) . . ? Cl02 Sb00 Cl03 90.11(2) . 2_776 ? Cl02 Sb00 Cl03 89.89(2) 2_776 2_776 ? Cl03 Sb00 Cl03 180.0 2_776 . ? Cl04 Sb00 Cl02 89.96(2) . . ? Cl04 Sb00 Cl02 90.04(2) . 2_776 ? Cl04 Sb00 Cl02 89.96(2) 2_776 2_776 ? Cl04 Sb00 Cl02 90.04(2) 2_776 . ? Cl04 Sb00 Cl03 89.49(2) . 2_776 ? Cl04 Sb00 Cl03 89.49(2) 2_776 . ? Cl04 Sb00 Cl03 90.51(2) 2_776 2_776 ? Cl04 Sb00 Cl03 90.51(2) . . ? Cl04 Sb00 Cl04 180.0 . 2_776 ? C007 O005 C00I 117.3(2) . . ? C00B N006 C00C 121.34(18) 2_766 . ? C00B N006 C00G 119.39(18) 2_766 . ? C00C N006 C00G 119.27(18) . . ? O005 C007 C008 124.7(2) . . ? O005 C007 C00A 115.2(2) . . ? C00A C007 C008 120.1(2) . . ? C007 C008 H008 120.3 . . ? C009 C008 C007 119.4(2) . . ? C009 C008 H008 120.3 . . ? C008 C009 H009 120.1 . . ? C00G C009 C008 119.9(2) . . ? C00G C009 H009 120.1 . . ? C007 C00A H00A 119.7 . . ? C00J C00A C007 120.5(2) . . ? C00J C00A H00A 119.7 . . ? N006 C00B C00C 119.5(2) 2_766 . ? N006 C00B C00E 120.7(2) 2_766 . ? C00E C00B C00C 119.7(2) . . ? N006 C00C C00B 119.15(19) . . ? N006 C00C C00D 121.5(2) . . ? C00D C00C C00B 119.4(2) . . ? C00C C00D H00D 120.1 . . ? C00H C00D C00C 119.7(2) . . ? C00H C00D H00D 120.1 . . ? C00B C00E H00E 120.1 . . ? C00F C00E C00B 119.9(2) . . ? C00F C00E H00E 120.1 . . ? C00E C00F H00F 119.7 . . ? C00E C00F C00H 120.6(2) . . ? C00H C00F H00F 119.7 . . ? C009 C00G N006 119.2(2) . . ? C009 C00G C00J 121.4(2) . . ? C00J C00G N006 119.4(2) . . ? C00D C00H C00F 120.7(2) . . ? C00D C00H H00H 119.7 . . ? C00F C00H H00H 119.7 . . ? O005 C00I H00B 109.5 . . ? O005 C00I H00C 109.5 . . ? O005 C00I H00G 109.5 . . ? H00B C00I H00C 109.5 . . ? H00B C00I H00G 109.5 . . ? H00C C00I H00G 109.5 . . ? C00A C00J C00G 118.7(2) . . ? C00A C00J H00J 120.6 . . ? C00G C00J H00J 120.6 . . ? C00L C00K H00K 119.7 2_655 . ? C00M C00K H00K 119.7 . . ? C00M C00K C00L 120.5(3) . 2_655 ? C00K C00L H00L 120.4 2_655 . ? C00M C00L C00K 119.1(3) . 2_655 ? C00M C00L H00L 120.4 . . ? C00K C00M C00L 120.3(3) . . ? C00K C00M H00M 119.8 . . ? C00L C00M H00M 119.8 . . ? 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 Sb00 Cl02 2.3611(6) 2_776 ? Sb00 Cl02 2.3612(6) . ? Sb00 Cl03 2.3894(6) . ? Sb00 Cl03 2.3894(6) 2_776 ? Sb00 Cl04 2.3542(6) . ? Sb00 Cl04 2.3542(6) 2_776 ? O005 C007 1.356(3) . ? O005 C00I 1.429(3) . ? N006 C00B 1.387(3) 2_766 ? N006 C00C 1.389(3) . ? N006 C00G 1.440(3) . ? C007 C008 1.394(3) . ? C007 C00A 1.393(3) . ? C008 H008 0.9500 . ? C008 C009 1.391(3) . ? C009 H009 0.9500 . ? C009 C00G 1.379(3) . ? C00A H00A 0.9500 . ? C00A C00J 1.388(3) . ? C00B C00C 1.415(3) . ? C00B C00E 1.397(3) . ? C00C C00D 1.398(3) . ? C00D H00D 0.9500 . ? C00D C00H 1.380(3) . ? C00E H00E 0.9500 . ? C00E C00F 1.372(3) . ? C00F H00F 0.9500 . ? C00F C00H 1.391(3) . ? C00G C00J 1.389(3) . ? C00H H00H 0.9500 . ? C00I H00B 0.9800 . ? C00I H00C 0.9800 . ? C00I H00G 0.9800 . ? C00J H00J 0.9500 . ? C00K H00K 0.9500 . ? C00K C00L 1.390(4) 2_655 ? C00K C00M 1.380(4) . ? C00L H00L 0.9500 . ? C00L C00M 1.385(4) . ? C00M H00M 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 O005 C007 C008 C009 -178.1(2) . . . . ? O005 C007 C00A C00J 178.1(2) . . . . ? N006 C00B C00C N006 0.6(3) 2_766 . . . ? N006 C00B C00C C00D 179.4(2) 2_766 . . . ? N006 C00B C00E C00F -179.0(2) 2_766 . . . ? N006 C00C C00D C00H 178.2(2) . . . . ? N006 C00G C00J C00A 179.7(2) . . . . ? C007 C008 C009 C00G -0.2(4) . . . . ? C007 C00A C00J C00G 0.3(4) . . . . ? C008 C007 C00A C00J -1.2(4) . . . . ? C008 C009 C00G N006 -179.7(2) . . . . ? C008 C009 C00G C00J -0.7(4) . . . . ? C009 C00G C00J C00A 0.7(3) . . . . ? C00A C007 C008 C009 1.1(4) . . . . ? C00B N006 C00C C00B -0.7(3) 2_766 . . . ? C00B N006 C00C C00D -179.4(2) 2_766 . . . ? C00B N006 C00G C009 78.6(3) 2_766 . . . ? C00B N006 C00G C00J -100.5(3) 2_766 . . . ? C00B C00C C00D C00H -0.5(3) . . . . ? C00B C00E C00F C00H -0.3(4) . . . . ? C00C N006 C00G C009 -101.7(3) . . . . ? C00C N006 C00G C00J 79.3(3) . . . . ? C00C C00B C00E C00F -0.9(3) . . . . ? C00C C00D C00H C00F -0.6(4) . . . . ? C00E C00B C00C N006 -177.5(2) . . . . ? C00E C00B C00C C00D 1.2(3) . . . . ? C00E C00F C00H C00D 1.0(4) . . . . ? C00G N006 C00C C00B 179.57(19) . . . . ? C00G N006 C00C C00D 0.9(3) . . . . ? C00I O005 C007 C008 -0.7(3) . . . . ? C00I O005 C007 C00A 180.0(2) . . . . ? C00K C00L C00M C00K 0.1(5) 2_655 . . . ? C00L C00K C00M C00L -0.1(5) 2_655 . . . ?