#------------------------------------------------------------------------------ #$Date: 2024-01-20 04:46:00 +0200 (Sat, 20 Jan 2024) $ #$Revision: 289170 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/30/07/2300728.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2300728 loop_ _publ_author_name 'Dyk, Konrad' 'Kinzhybalo, Vasyl' 'Horak, Yuriy' 'Butenko, Serhii' 'Siczek, Mi\/losz' 'Kami\'nski, Daniel M.' _publ_section_title ; Bending the bonds: unveiling halogen interactions in the elastic polymorph of 2,5-bis(3-bromophenyl)furan ; _journal_issue 1 _journal_name_full 'Journal of Applied Crystallography' _journal_paper_doi 10.1107/S1600576723010609 _journal_volume 57 _journal_year 2024 _chemical_formula_moiety 'C16 H10 Br2 O' _chemical_formula_sum 'C16 H10 Br2 O' _chemical_formula_weight 378.06 _space_group_crystal_system orthorhombic _space_group_IT_number 62 _space_group_name_Hall '-P 2ac 2n' _space_group_name_H-M_alt 'P n m a' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary dual _audit_creation_date 2023-12-21 _audit_creation_method ; Olex2 1.5 (compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748) ; _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 6.217(3) _cell_length_b 30.110(8) _cell_length_c 7.180(3) _cell_measurement_reflns_used 20762 _cell_measurement_temperature 99.9(4) _cell_measurement_theta_max 29.1570 _cell_measurement_theta_min 2.8930 _cell_volume 1344.1(9) _computing_cell_refinement 'CrysAlisPro 1.171.41.122a (Rigaku OD, 2021)' _computing_data_collection 'CrysAlisPro 1.171.41.122a (Rigaku OD, 2021)' _computing_data_reduction 'CrysAlisPro 1.171.41.122a (Rigaku OD, 2021)' _computing_molecular_graphics 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_structure_refinement 'SHELXL 2018/3 (Sheldrick, 2015)' _computing_structure_solution 'SHELXD (Sheldrick, 2008)' _diffrn_ambient_environment N~2~ _diffrn_ambient_temperature 99.9(4) _diffrn_detector 'CCD plate' _diffrn_detector_area_resol_mean 10.6249 _diffrn_detector_type Atlas _diffrn_measured_fraction_theta_full 0.998 _diffrn_measured_fraction_theta_max 0.961 _diffrn_measurement_details ; List of Runs (angles in degrees, time in seconds): # Type Start End Width t~exp~ \w \q \k \f Frames -------------------------------------------------------------------------- 1 \w -19.00 91.00 1.00 13.50 -- 13.31 57.00 0.00 110 2 \w -23.00 97.00 1.00 13.50 -- 13.31 77.00 120.00 120 3 \w -18.00 93.00 1.00 13.50 -- 13.31 37.00 -90.00 111 4 \w -78.00 -32.00 1.00 13.50 -- 13.31 178.00 120.00 46 5 \w -65.00 46.00 1.00 13.50 -- 13.31 -57.00-150.00 111 6 \w -97.00 -19.00 1.00 13.50 -- -14.40 160.00 37.75 78 7 \w -77.00 -1.00 1.00 13.50 -- -14.40 130.00-130.21 76 8 \w 35.00 106.00 1.00 13.50 -- 13.31 178.00-150.00 71 9 \w -25.00 57.00 1.00 13.50 -- 13.31 -99.00 60.00 82 10 \w -18.00 93.00 1.00 13.50 -- 13.31 37.00-180.00 111 11 \w 35.00 106.00 1.00 13.50 -- 13.31 178.00-120.00 71 12 \w -79.00 105.00 1.00 13.50 -- 13.31 0.00-180.00 184 13 \w 35.00 106.00 1.00 13.50 -- 13.31 178.00 90.00 71 14 \w -79.00 105.00 1.00 13.50 -- 13.31 0.00-120.00 184 15 \w -79.00 23.00 1.00 13.50 -- 13.31 0.00 -90.00 102 16 \w -79.00 105.00 1.00 13.50 -- 13.31 0.00-150.00 184 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'Xcalibur, Atlas' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 -0.0141276000 _diffrn_orient_matrix_UB_12 0.0013198000 _diffrn_orient_matrix_UB_13 -0.0978864000 _diffrn_orient_matrix_UB_21 0.0782695000 _diffrn_orient_matrix_UB_22 0.0171105000 _diffrn_orient_matrix_UB_23 -0.0044724000 _diffrn_orient_matrix_UB_31 0.0817714000 _diffrn_orient_matrix_UB_32 -0.0161360000 _diffrn_orient_matrix_UB_33 -0.0126845000 _diffrn_radiation_monochromator graphite _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0643 _diffrn_reflns_av_unetI/netI 0.0206 _diffrn_reflns_Laue_measured_fraction_full 0.998 _diffrn_reflns_Laue_measured_fraction_max 0.961 _diffrn_reflns_limit_h_max 8 _diffrn_reflns_limit_h_min -8 _diffrn_reflns_limit_k_max 41 _diffrn_reflns_limit_k_min -40 _diffrn_reflns_limit_l_max 9 _diffrn_reflns_limit_l_min -9 _diffrn_reflns_number 53049 _diffrn_reflns_point_group_measured_fraction_full 0.998 _diffrn_reflns_point_group_measured_fraction_max 0.961 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 29.513 _diffrn_reflns_theta_min 2.706 _diffrn_source 'fine-focus sealed X-ray tube' _diffrn_source_type 'Enhance (Mo) X-ray Source' _exptl_absorpt_coefficient_mu 6.018 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.40354 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro 1.171.41.122a (Rigaku Oxford Diffraction, 2021) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour 'clear yellow' _exptl_crystal_colour_lustre clear _exptl_crystal_colour_primary yellow _exptl_crystal_density_diffrn 1.868 _exptl_crystal_description plate _exptl_crystal_F_000 736 _exptl_crystal_size_max 0.42 _exptl_crystal_size_mid 0.22 _exptl_crystal_size_min 0.06 _refine_diff_density_max 0.730 _refine_diff_density_min -0.371 _refine_diff_density_rms 0.121 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.190 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 88 _refine_ls_number_reflns 1831 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.190 _refine_ls_R_factor_all 0.0477 _refine_ls_R_factor_gt 0.0355 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0362P)^2^+3.5330P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0880 _refine_ls_wR_factor_ref 0.0941 _reflns_Friedel_coverage 0.000 _reflns_number_gt 1505 _reflns_number_total 1831 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file ei5098sup1.cif _cod_data_source_block beta _cod_database_code 2300728 _shelx_shelxl_version_number 2018/3 _chemical_oxdiff_formula C16H10Br2O _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 0.714 _shelx_estimated_absorpt_t_min 0.187 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups 2.a Aromatic/amide H refined with riding coordinates: C6(H6), C8(H8), C4(H4), C5(H5), C2(H2) ; _shelx_res_file ; TITL mbromofuranacn100k_a.res in Pnma mbromofuranacn100k.res created by SHELXL-2018/3 at 12:18:09 on 21-Dec-2023 REM Old TITL Mbromofuran ACN 100K in Pnma REM SHELXT solution in Pnma: R1 0.072, Rweak 0.010, Alpha 0.038 REM 0.898 for 259 systematic absences, Orientation as input REM Formula found by SHELXT: C16 O Br2 CELL 0.71073 6.217 30.11 7.18 90 90 90 ZERR 4 0.003 0.008 0.003 0 0 0 LATT 1 SYMM 0.5-X,-Y,0.5+Z SYMM -X,0.5+Y,-Z SYMM 0.5+X,0.5-Y,0.5-Z SFAC C H Br O UNIT 64 40 8 4 L.S. 4 0 0 PLAN 5 SIZE 0.06 0.22 0.42 TEMP -173 CONF BOND LIST 6 MORE -1 BOND $H fmap 2 53 acta OMIT 5 1 1 OMIT 4 3 3 REM REM REM WGHT 0.036200 3.533000 FVAR 0.25500 BR1 3 0.188121 0.460909 0.583548 11.00000 0.02405 0.01690 = 0.02654 0.00014 0.00224 0.00374 O1 4 0.397307 0.250000 0.491399 10.50000 0.01593 0.01694 = 0.01727 0.00000 0.00169 0.00000 C6 1 0.559919 0.414147 0.458078 11.00000 0.01810 0.02056 = 0.01691 0.00154 -0.00277 -0.00345 AFIX 43 H6 2 0.621712 0.442743 0.441875 11.00000 -1.20000 AFIX 0 C7 1 0.353246 0.409368 0.529236 11.00000 0.02138 0.01828 = 0.01397 -0.00141 -0.00166 0.00451 C8 1 0.259462 0.368160 0.557978 11.00000 0.01875 0.02106 = 0.01247 0.00117 -0.00243 0.00048 AFIX 43 H8 2 0.120765 0.365798 0.612619 11.00000 -1.20000 AFIX 0 C3 1 0.373467 0.330047 0.504767 11.00000 0.01808 0.01969 = 0.01112 0.00105 -0.00290 0.00138 C4 1 0.581686 0.334478 0.431673 11.00000 0.01791 0.02139 = 0.01312 -0.00097 -0.00190 0.00111 AFIX 43 H4 2 0.660187 0.308788 0.395891 11.00000 -1.20000 AFIX 0 C5 1 0.673422 0.376186 0.411420 11.00000 0.01711 0.02531 = 0.01467 0.00072 0.00058 -0.00092 AFIX 43 H5 2 0.815955 0.378738 0.364941 11.00000 -1.20000 AFIX 0 C1 1 0.272921 0.286673 0.526973 11.00000 0.02010 0.01886 = 0.01330 -0.00052 -0.00232 0.00281 C2 1 0.071731 0.273596 0.581473 11.00000 0.01913 0.02061 = 0.01575 -0.00101 0.00012 0.00229 AFIX 43 H2 2 -0.045290 0.292425 0.613173 11.00000 -1.20000 AFIX 0 HKLF 4 REM mbromofuranacn100k_a.res in Pnma REM wR2 = 0.0941, GooF = S = 1.190, Restrained GooF = 1.190 for all data REM R1 = 0.0355 for 1505 Fo > 4sig(Fo) and 0.0477 for all 1831 data REM 88 parameters refined using 0 restraints END WGHT 0.0362 3.5329 REM Highest difference peak 0.730, deepest hole -0.371, 1-sigma level 0.121 Q1 1 0.5882 0.3608 0.4212 11.00000 0.05 0.73 Q2 1 0.6856 0.4600 0.2571 11.00000 0.05 0.66 Q3 1 0.1867 0.4364 0.5830 11.00000 0.05 0.63 Q4 1 0.1889 0.4977 0.5870 11.00000 0.05 0.52 Q5 1 0.1867 0.4864 0.5751 11.00000 0.05 0.52 ; _shelx_res_checksum 79004 _shelx_hkl_file ; 0 0 -1 3.54 1.28 0 0 -1 2.94 1.12 0 0 -1 2.38 1.06 0 0 -1 1.13 0.81 0 0 -1 3.58 1.26 0 0 1 3.10 1.06 0 0 2 9642.91 179.94 0 0 -2 9999.00 179.55 0 0 -2 9494.02 179.14 0 0 2 9634.53 179.02 0 0 -2 9542.66 179.21 0 0 2 9652.42 179.02 0 0 2 9590.92 178.91 0 0 -2 9400.65 179.33 0 0 2 9528.07 178.85 0 0 -2 9169.29 179.13 0 0 2 9192.38 179.08 0 0 -2 9589.98 180.25 0 0 2 9759.17 186.51 0 0 -2 9119.26 177.36 0 0 3 5.88 4.01 0 0 3 1.80 2.73 0 0 -3 3.21 2.06 0 0 3 6.27 2.84 0 0 -3 4.72 3.53 0 0 -3 3.15 2.51 0 0 -3 3.56 3.00 0 0 3 3.22 2.41 0 0 3 7.41 2.67 0 0 -3 2.41 2.55 0 0 3 0.22 1.67 0 0 -3 10.21 3.68 0 0 3 4.47 2.24 0 0 -3 3.05 1.73 0 0 4 90.81 8.70 0 0 -4 95.15 8.91 0 0 -4 99.76 9.48 0 0 4 110.06 9.49 0 0 -4 93.59 9.30 0 0 4 90.34 8.62 0 0 4 107.92 9.54 0 0 -4 102.41 9.46 0 0 4 91.47 4.63 0 0 4 93.95 9.03 0 0 -4 108.95 10.32 0 0 4 101.20 9.29 0 0 4 89.75 8.73 0 0 4 109.59 12.20 0 0 -4 89.92 8.34 0 0 -5 2.98 2.99 0 0 -5 -1.84 2.92 0 0 -5 0.49 2.66 0 0 5 4.64 3.31 0 0 5 0.53 0.84 0 0 -5 1.28 3.28 0 0 5 2.98 2.44 0 0 -5 4.48 3.22 0 0 -6 1064.40 41.18 0 0 -6 1037.15 40.64 0 0 6 973.33 37.70 0 0 -6 1061.79 40.91 0 0 6 1058.92 40.10 0 0 -6 1127.44 45.73 0 0 -6 1017.03 36.82 0 0 -7 9.82 5.63 0 0 -7 2.62 4.55 0 0 7 -4.17 4.26 0 0 7 -0.48 4.02 0 0 -7 -1.46 3.48 0 0 7 -0.40 3.13 0 0 -8 141.11 16.66 0 0 -8 130.04 16.01 0 0 8 127.74 14.34 0 0 8 124.04 15.01 0 0 8 132.14 15.37 0 0 -8 120.29 13.20 0 0 -9 -7.21 6.04 0 0 -9 1.26 4.15 0 0 -9 -2.06 4.41 0 0 -9 -0.13 3.67 0 1 -1 74.67 4.22 0 -1 -1 97.81 4.56 0 1 -1 78.41 4.35 0 -1 -1 101.57 4.66 0 -1 -1 95.94 4.60 0 1 -1 73.49 4.20 0 -1 1 92.61 4.46 0 1 1 87.59 4.35 0 -1 -1 98.21 4.61 0 -1 1 89.83 4.54 0 1 -1 80.98 4.58 0 -1 -1 108.31 4.89 0 -1 1 100.76 5.70 0 1 -1 93.90 4.49 0 1 -2 10.99 3.65 0 -1 2 37.05 7.65 0 1 -2 14.52 3.61 0 -1 -2 73.92 6.02 0 -1 2 24.63 4.64 0 1 2 33.42 5.43 0 -1 2 34.32 4.34 0 1 2 86.26 7.02 0 -1 -2 90.20 8.12 0 1 -2 11.82 4.04 0 -1 2 32.10 4.39 0 -1 -2 80.67 8.29 0 1 2 78.38 6.71 0 1 2 83.11 6.86 0 1 -2 11.99 4.03 0 -1 2 36.97 4.46 0 1 -2 12.50 4.13 0 -1 -2 85.68 8.10 0 -1 2 36.35 4.32 0 -1 -2 87.30 8.16 0 1 2 76.84 6.75 0 1 -2 26.19 5.01 0 -1 2 23.34 4.71 0 -1 2 24.07 4.97 0 1 -3 261.57 12.18 0 -1 -3 265.61 11.98 0 -1 3 307.98 16.93 0 1 3 284.13 17.60 0 1 -3 262.70 13.22 0 -1 -3 246.10 13.00 0 1 3 266.84 13.07 0 -1 3 266.72 13.13 0 1 3 254.09 12.91 0 1 3 255.27 12.96 0 -1 3 242.83 12.94 0 -1 -3 260.93 13.17 0 1 -3 252.69 13.18 0 1 -3 253.33 13.14 0 -1 3 243.53 12.88 0 -1 -3 267.55 13.39 0 -1 3 242.88 12.91 0 1 -3 256.32 13.20 0 1 3 266.37 13.19 0 -1 -3 268.01 13.34 0 -1 3 219.54 7.11 0 -1 -3 258.47 13.23 0 1 3 256.42 13.00 0 -1 3 242.21 12.92 0 1 -3 255.85 13.95 0 -1 3 255.24 13.07 0 1 3 265.44 13.13 0 -1 -3 252.92 13.80 0 -1 3 254.78 13.52 0 -1 -3 254.17 7.75 0 -1 4 7.58 3.38 0 -1 -4 7.83 3.48 0 -1 4 10.50 5.02 0 1 4 -0.02 3.50 0 1 4 7.84 3.82 0 1 -4 5.39 3.33 0 -1 -4 8.44 3.70 0 1 -4 3.24 3.69 0 1 4 5.07 2.85 0 -1 4 8.18 3.12 0 -1 -4 6.51 3.48 0 1 -4 1.25 3.52 0 1 4 8.13 2.88 0 -1 -4 4.75 2.93 0 1 4 2.50 2.58 0 -1 4 3.01 2.57 0 1 -4 3.95 3.34 0 -1 4 9.11 4.23 0 -1 4 4.86 1.25 0 -1 -4 6.08 3.39 0 1 4 4.70 3.25 0 -1 4 5.27 3.40 0 -1 4 3.74 2.74 0 -1 -4 7.20 4.06 0 1 -4 9.90 4.93 0 -1 4 6.81 3.48 0 1 4 3.80 2.94 0 1 4 10.00 3.97 0 -1 -4 7.25 3.17 0 1 -4 5.27 3.40 0 1 -5 71.42 9.10 0 -1 -5 67.32 8.76 0 1 -5 65.32 8.58 0 -1 -5 61.00 8.24 0 1 -5 59.82 8.10 0 -1 -5 64.39 8.42 0 1 5 59.91 7.80 0 -1 5 57.72 7.67 0 1 5 57.09 4.03 0 -1 5 66.71 8.49 0 1 -5 70.46 9.62 0 -1 -5 73.48 9.98 0 1 5 62.51 8.23 0 -1 -5 63.42 7.46 0 1 -5 59.00 7.22 0 1 -6 23.08 7.99 0 -1 -6 32.28 9.11 0 -1 -6 42.08 9.65 0 1 -6 31.93 8.27 0 1 -6 23.65 8.09 0 -1 -6 32.77 8.97 0 -1 6 21.07 9.51 0 1 6 46.92 8.80 0 1 6 16.66 2.47 0 -1 -6 50.30 11.84 0 1 6 26.29 9.02 0 1 -6 31.61 9.25 0 -1 6 38.95 9.30 0 -1 -6 48.74 8.23 0 -1 6 31.78 7.21 0 1 -6 18.08 7.61 0 -1 -7 0.46 3.20 0 -1 -7 -3.50 4.41 0 1 -7 -3.69 5.41 0 1 -7 -2.31 3.76 0 -1 -7 -0.68 4.07 0 -1 7 -3.33 4.99 0 1 7 -1.20 3.72 0 -1 7 0.60 3.51 0 1 7 -4.18 4.33 0 1 -7 -5.54 3.11 0 -1 7 -1.92 2.84 0 1 7 -0.87 3.12 0 -1 -7 -1.05 2.66 0 1 -8 3.91 3.70 0 -1 -8 7.78 6.10 0 1 -8 6.34 4.78 0 -1 -8 5.87 5.31 0 1 8 10.01 7.22 0 -1 8 2.88 4.22 0 -1 8 2.01 3.76 0 1 8 12.89 7.05 0 -1 8 14.34 7.70 0 -1 -8 5.07 4.88 0 1 8 9.22 5.35 0 1 -8 7.93 5.52 0 -1 -9 -1.04 4.22 0 1 -9 -7.94 5.71 0 -1 -9 4.69 4.67 0 -1 -9 -4.94 5.40 0 1 9 0.24 4.54 0 -1 -9 3.92 4.08 0 2 1 0.80 0.82 0 -2 -1 -3.32 2.18 0 -2 1 -0.58 0.88 0 -2 1 1.71 1.11 0 -2 1 0.30 0.84 0 -2 -1 1.22 1.03 0 2 -1 1.11 0.96 0 2 -1 0.71 0.91 0 -2 1 1.91 1.16 0 -2 -1 0.41 0.82 0 -2 1 0.52 1.02 0 -2 -1 -1.01 0.75 0 -2 -1 1.08 1.24 0 -2 -1 0.74 0.81 0 2 -1 0.72 1.02 0 -2 -1 0.33 0.86 0 -2 1 -0.12 0.92 0 -2 1 -0.32 0.77 0 2 -1 -0.96 0.96 0 -2 1 0.72 0.86 0 2 -2 44.17 4.16 0 -2 2 61.78 5.98 0 2 -2 45.52 4.46 0 -2 2 49.54 4.72 0 2 2 42.88 5.99 0 2 2 46.74 4.61 0 -2 -2 53.76 5.12 0 -2 2 45.66 4.49 0 -2 -2 66.33 5.83 0 2 2 46.11 4.47 0 2 2 41.93 4.23 0 2 -2 44.45 4.59 0 2 -2 46.31 4.69 0 -2 2 45.11 4.68 0 -2 -2 66.28 5.82 0 -2 -2 63.47 5.81 0 2 2 47.41 4.52 0 -2 2 44.21 4.50 0 2 -2 49.23 4.75 0 -2 2 47.46 5.02 0 -2 2 47.55 4.55 0 2 2 46.40 4.40 0 -2 -2 70.15 5.85 0 -2 2 48.27 4.84 0 -2 2 46.11 4.63 0 -2 -2 69.01 6.13 0 2 -2 45.85 4.82 0 2 2 46.89 4.53 0 -2 -2 59.08 5.20 0 -2 3 3.92 3.06 0 2 -3 0.19 1.58 0 -2 3 4.59 2.79 0 -2 -3 5.70 2.70 0 2 3 -2.53 3.10 0 2 3 1.27 2.37 0 -2 -3 3.16 2.25 0 -2 3 -0.16 1.49 0 2 3 4.50 2.40 0 2 -3 0.96 2.40 0 -2 3 2.28 2.44 0 2 3 4.88 2.71 0 2 -3 -1.84 1.72 0 -2 -3 9.38 2.95 0 -2 -3 3.61 2.31 0 -2 3 3.17 2.41 0 2 3 2.27 2.13 0 2 -3 4.27 2.82 0 -2 -3 4.24 1.77 0 -2 3 3.45 2.36 0 2 3 1.07 1.63 0 -2 -3 6.34 3.19 0 -2 3 -0.58 2.25 0 2 -3 -1.08 1.97 0 -2 -3 7.73 3.19 0 2 3 -1.63 1.55 0 -2 3 4.89 2.66 0 2 -3 2.34 2.66 0 -2 3 5.43 2.62 0 -2 4 641.29 28.10 0 2 4 604.70 30.48 0 -2 -4 548.99 21.04 0 2 -4 540.04 21.41 0 -2 -4 542.62 22.83 0 2 4 520.17 22.36 0 -2 4 563.54 22.76 0 2 -4 572.91 22.94 0 2 -4 557.85 23.40 0 -2 -4 538.01 23.05 0 -2 4 533.00 22.73 0 2 4 552.00 22.73 0 -2 4 552.14 22.95 0 2 4 573.73 23.14 0 2 -4 555.14 23.32 0 -2 -4 537.30 23.15 0 -2 -4 535.63 22.94 0 2 -4 537.41 22.95 0 -2 4 553.28 23.00 0 2 4 567.33 22.98 0 -2 4 544.24 23.40 0 -2 -4 522.14 22.66 0 2 4 555.38 22.73 0 -2 4 581.26 23.42 0 -2 4 538.22 22.53 0 -2 4 551.79 23.95 0 2 4 520.66 22.52 0 2 -4 561.21 24.53 0 -2 -4 564.96 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1445.53 38.67 -1 12 -1 1386.47 37.10 -1 12 1 1446.26 40.25 -1 -12 1 1477.94 39.42 -1 12 1 1428.58 39.38 -1 -12 1 1306.72 39.21 1 12 1 1262.95 32.79 1 -12 -1 1390.71 30.52 1 12 1 1408.18 38.62 -1 -12 -1 1344.05 33.22 1 -12 1 1336.88 31.93 -1 12 1 1334.95 40.79 1 -12 -1 1387.29 40.57 -1 -12 1 1255.74 38.67 -1 -12 -1 1413.79 39.53 -1 12 1 1333.98 31.13 1 -12 1 1293.95 34.29 -1 12 -1 1329.11 34.89 1 12 1 1319.34 33.78 -1 12 -1 1333.84 32.20 -1 12 -1 1296.55 31.11 1 -12 1 1235.20 32.34 -1 12 1 1392.66 39.99 1 -12 -1 1392.78 34.60 -1 12 1 1401.98 36.17 -1 12 -1 1360.27 35.00 1 -12 -1 1432.98 39.44 -1 12 -1 1392.35 37.78 1 -12 2 1908.95 51.58 1 12 -2 1588.98 52.05 1 12 2 1593.05 50.87 -1 -12 2 1694.47 51.58 -1 12 -2 1906.06 48.56 1 -12 2 1885.93 48.52 -1 -12 -2 1871.33 46.71 -1 -12 -2 1847.85 50.18 -1 -12 2 1841.01 37.61 1 12 2 1843.11 47.12 1 -12 -2 1962.79 48.08 -1 12 2 1927.04 47.78 -1 -12 -2 1919.36 48.10 1 -12 2 1762.22 38.49 -1 -12 -2 1908.37 48.34 1 -12 2 1795.73 44.61 1 -12 -2 1902.40 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2231.21 53.87 -2 0 0 2381.21 48.43 -2 0 0 2351.75 48.33 -2 0 0 2374.22 48.42 2 0 0 2248.85 53.85 -2 0 0 2274.43 49.99 2 0 0 2214.07 49.83 -2 0 0 2338.72 48.24 2 0 0 2274.92 53.92 2 0 0 2129.10 49.15 -2 0 0 2275.16 49.67 -2 0 0 2428.72 53.09 -2 0 0 2175.03 50.04 2 0 0 2183.36 49.44 -2 0 0 2223.05 49.04 2 0 0 2216.11 50.56 -2 0 1 160.59 7.37 -2 0 -1 200.39 9.83 2 0 -1 161.39 7.27 2 0 -1 160.79 6.73 -2 0 -1 161.30 9.20 -2 0 -1 148.11 5.10 2 0 1 146.57 5.10 -2 0 1 160.56 9.20 -2 0 1 148.79 6.34 2 0 1 158.56 8.85 -2 0 -1 158.45 8.12 -2 0 1 172.51 9.80 -2 0 -1 152.04 8.02 2 0 1 148.58 7.84 2 0 1 153.84 7.96 2 0 -1 154.57 7.65 -2 0 -1 151.82 8.00 -2 0 1 162.78 7.96 2 0 1 151.47 7.93 -2 0 1 147.62 5.82 -2 0 1 170.14 8.42 2 0 1 142.65 9.01 2 0 -1 140.91 7.59 -2 0 1 178.98 10.18 -2 0 1 178.36 9.98 -2 0 -1 158.86 8.21 2 0 -1 183.63 8.93 -2 0 1 158.11 7.23 2 0 1 158.00 8.06 2 0 1 147.58 8.89 2 0 -1 157.04 7.71 -2 0 1 152.19 8.13 -2 0 -1 159.36 9.38 2 0 1 167.85 10.03 2 0 -1 161.90 8.72 2 0 1 157.25 9.01 -2 0 1 175.16 8.97 -2 0 -1 165.31 9.24 2 0 -1 177.32 9.32 -2 0 1 171.09 9.22 2 0 -1 151.01 8.84 2 0 -2 532.92 16.08 -2 0 -2 516.29 20.22 2 0 2 559.46 18.54 -2 0 2 576.58 17.03 -2 0 2 544.30 17.51 -2 0 -2 425.12 14.56 2 0 2 473.46 18.70 2 0 2 493.34 15.51 2 0 -2 548.88 17.83 -2 0 -2 492.44 18.75 -2 0 2 535.80 17.95 -2 0 -2 488.00 18.92 2 0 2 491.08 18.08 2 0 2 482.48 17.82 -2 0 2 521.73 17.88 2 0 2 499.95 18.12 2 0 -2 523.82 18.20 -2 0 -2 485.27 18.85 -2 0 2 540.22 17.99 -2 0 2 512.85 16.94 -2 0 2 539.66 16.27 2 0 -2 512.17 15.80 2 0 2 467.44 18.28 -2 0 -2 519.02 19.00 2 0 -2 498.57 16.82 2 0 2 484.52 18.12 2 0 2 496.84 19.82 -2 0 -2 509.60 19.81 -2 0 2 507.02 17.63 2 0 2 500.23 19.79 2 0 -2 524.15 17.55 -2 0 2 537.96 18.76 2 0 2 487.49 18.08 -2 0 2 508.42 19.28 -2 0 2 520.72 17.53 2 0 -2 537.56 19.47 2 0 -2 538.21 18.34 2 0 -3 270.33 15.34 -2 0 -3 410.72 20.47 2 0 3 319.80 13.61 -2 0 3 374.06 13.49 -2 0 3 388.68 16.93 2 0 3 377.28 15.61 -2 0 -3 345.82 14.97 2 0 -3 429.35 17.38 2 0 3 368.98 17.77 -2 0 3 384.74 16.72 -2 0 3 408.35 17.27 2 0 3 355.68 17.02 -2 0 -3 380.54 17.91 -2 0 -3 369.36 17.77 2 0 3 376.43 17.40 -2 0 3 394.02 16.68 2 0 3 373.39 17.46 -2 0 3 413.34 17.25 -2 0 -3 388.39 18.31 2 0 -3 368.73 16.50 -2 0 3 406.33 12.82 -2 0 3 386.13 14.19 2 0 3 362.45 15.86 2 0 -3 395.73 12.60 -2 0 -3 379.77 17.74 2 0 3 388.99 17.76 2 0 -3 383.30 16.42 2 0 -3 398.89 16.80 -2 0 3 391.21 16.59 -2 0 -3 356.95 18.14 2 0 3 401.34 18.92 2 0 -3 381.57 15.22 -2 0 3 389.67 15.49 2 0 -3 371.23 17.70 2 0 4 138.76 11.72 2 0 -4 183.30 12.30 -2 0 4 143.09 9.05 -2 0 -4 173.64 15.73 -2 0 -4 140.77 10.31 2 0 -4 153.63 11.49 -2 0 4 166.55 11.92 2 0 4 126.69 10.39 -2 0 -4 135.37 12.03 2 0 -4 148.92 11.11 -2 0 -4 135.74 12.22 -2 0 4 161.30 11.86 -2 0 4 156.60 11.66 -2 0 -4 135.78 12.24 -2 0 4 157.88 11.58 2 0 -4 154.23 11.34 -2 0 4 150.96 8.25 -2 0 4 137.39 6.24 2 0 4 140.65 9.90 -2 0 4 150.70 11.40 -2 0 -4 137.33 11.99 2 0 -4 151.67 11.37 -2 0 4 172.76 13.93 -2 0 4 165.28 11.58 -2 0 -4 150.98 12.68 -2 0 4 151.70 9.47 2 0 -4 147.51 11.75 2 0 -5 8.30 2.89 -2 0 5 14.82 4.50 2 0 5 12.15 4.02 -2 0 -5 -0.76 5.25 -2 0 5 4.02 2.38 2 0 -5 9.63 3.53 -2 0 -5 17.02 5.87 -2 0 -5 16.05 5.70 -2 0 -5 8.66 3.66 2 0 -5 16.15 4.59 2 0 5 14.76 3.86 -2 0 5 10.48 2.49 2 0 -5 14.55 4.85 -2 0 -5 14.84 6.25 -2 0 5 12.29 4.37 -2 0 -5 13.86 5.09 2 0 -5 16.74 5.17 -2 0 5 12.63 2.99 -2 0 -6 244.35 26.00 2 0 -6 391.28 21.27 2 0 6 296.94 19.92 -2 0 6 352.93 21.08 -2 0 -6 350.19 23.00 -2 0 -6 340.34 22.82 2 0 -6 327.75 21.35 -2 0 -6 354.62 23.11 2 0 -6 329.68 21.39 -2 0 6 334.53 21.38 2 0 6 299.09 15.61 2 0 6 308.03 20.35 -2 0 -6 356.36 23.18 2 0 -6 321.21 21.41 -2 0 -6 298.78 22.16 -2 0 6 339.88 21.09 -2 0 6 305.02 15.51 2 0 -6 331.17 21.44 -2 0 -7 138.87 15.11 2 0 -7 156.36 14.63 2 0 7 117.52 13.49 -2 0 7 136.37 14.49 -2 0 -7 64.19 14.68 -2 0 -7 148.12 16.37 -2 0 -7 166.16 17.16 2 0 -7 135.80 14.77 -2 0 -7 132.94 15.01 2 0 -7 129.95 14.37 2 0 7 128.78 9.79 -2 0 7 143.71 14.61 2 0 7 129.02 14.55 2 0 -7 147.08 15.24 -2 0 -7 145.27 15.83 -2 0 7 145.85 14.65 -2 0 -7 134.88 16.22 2 0 7 122.49 14.22 2 0 -7 135.02 14.65 2 0 -8 34.71 8.61 -2 0 -8 30.85 9.06 2 0 8 36.46 9.58 -2 0 8 28.53 7.45 -2 0 -8 19.48 7.71 2 0 -8 35.21 9.44 2 0 -8 29.90 8.69 -2 0 -8 44.58 10.52 -2 0 -8 23.45 7.89 2 0 -8 24.02 8.01 2 0 8 28.91 8.63 -2 0 8 24.24 7.91 -2 0 -8 39.22 10.60 2 0 -8 22.82 7.19 -2 0 8 19.14 7.14 2 0 8 42.52 9.09 -2 0 -9 124.46 16.37 2 0 9 121.01 16.19 -2 -1 0 146.34 7.70 -2 1 0 128.99 8.44 -2 -1 0 136.63 8.27 2 1 0 127.51 8.06 2 -1 0 138.84 8.51 2 1 0 145.59 10.71 2 -1 0 145.14 10.02 -2 -1 0 154.32 8.64 -2 1 0 131.81 6.57 -2 -1 0 153.92 8.57 -2 1 0 131.67 6.64 -2 -1 0 154.20 8.77 -2 1 0 133.00 6.73 2 1 0 136.56 10.35 2 -1 0 140.50 9.69 2 -1 0 126.85 7.79 -2 1 0 120.08 7.76 2 1 0 128.01 8.18 2 1 0 150.27 10.79 -2 1 0 129.11 6.48 -2 -1 0 117.24 8.52 -2 -1 0 152.84 8.57 2 -1 0 145.77 9.91 -2 1 0 109.47 9.48 2 1 0 133.83 7.60 -2 1 0 137.35 8.16 -2 -1 0 133.65 7.69 -2 -1 0 171.19 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256.67 12.07 2 -3 1 247.98 11.67 2 -3 -1 275.98 12.52 -2 3 -1 254.41 11.80 -2 3 -1 285.72 14.10 -2 -3 1 249.85 11.76 2 3 -1 250.13 11.40 2 3 -1 274.67 11.62 -2 -3 -1 245.30 10.14 2 3 -2 312.89 14.56 -2 -3 2 293.24 14.43 -2 3 -2 286.62 14.36 -2 3 2 263.78 8.07 -2 -3 -2 283.48 14.63 2 3 2 283.79 9.81 2 -3 2 295.67 15.14 2 -3 -2 265.70 7.87 -2 3 -2 266.24 10.80 2 -3 2 244.83 12.16 -2 -3 -2 260.23 10.62 -2 -3 2 281.90 11.77 2 -3 -2 277.33 11.52 2 3 2 252.27 10.56 -2 3 2 290.37 12.10 -2 -3 2 285.65 13.14 2 -3 2 247.94 10.31 2 3 2 269.72 14.14 2 3 -2 278.05 11.90 -2 3 2 282.91 11.44 -2 3 2 282.42 11.48 -2 -3 2 279.92 12.94 -2 3 -2 264.80 12.49 2 3 2 268.01 13.12 -2 -3 -2 264.48 13.54 2 -3 2 273.43 12.27 -2 -3 2 292.15 13.60 2 -3 2 276.81 12.23 2 3 2 257.15 12.98 -2 -3 -2 270.67 13.40 -2 3 -2 264.34 12.50 -2 3 2 277.85 11.36 2 -3 2 272.47 12.17 -2 3 2 286.02 11.52 2 3 2 255.80 12.96 -2 3 -2 270.41 12.55 2 -3 -2 278.60 11.54 2 3 -2 291.23 13.89 -2 -3 2 273.98 12.84 -2 -3 -2 262.22 13.40 -2 3 2 300.24 12.62 2 3 -2 282.11 10.44 -2 -3 2 291.57 11.53 -2 3 2 277.95 11.31 2 -3 2 236.21 10.80 -2 3 -2 254.85 12.54 2 -3 2 267.80 13.03 2 -3 -2 287.41 11.76 2 3 -2 254.79 10.69 2 -3 -2 267.66 12.46 2 -3 2 257.93 12.06 -2 -3 -2 263.58 13.57 -2 3 2 293.47 13.09 -2 3 -2 268.82 12.55 2 3 2 269.81 13.20 2 -3 2 271.44 13.59 2 3 -2 261.57 12.52 -2 -3 2 272.00 13.22 -2 3 -2 269.20 13.40 -2 3 2 277.81 11.28 2 -3 2 280.93 14.14 -2 -3 -2 286.18 14.53 2 -3 -2 284.57 11.26 2 3 2 257.17 13.52 -2 3 2 291.78 14.90 -2 -3 2 268.19 10.98 2 3 -2 268.67 13.07 2 3 -2 297.42 12.06 2 -3 -2 280.94 13.88 -2 3 2 281.78 13.30 2 -3 -2 287.84 13.17 2 -3 2 259.26 11.87 -2 3 2 271.71 13.49 -2 -3 2 276.09 11.39 2 -3 -3 681.60 21.90 2 3 -3 598.75 26.91 2 -3 3 672.19 23.29 -2 3 -3 775.59 29.46 -2 -3 3 692.54 22.56 -2 -3 -3 788.88 29.88 2 3 3 706.57 23.19 -2 3 3 774.53 25.05 2 -3 3 662.43 22.10 -2 -3 -3 672.53 22.54 2 3 -3 767.98 25.36 2 -3 -3 761.41 24.64 2 3 3 731.14 28.21 -2 -3 3 706.96 24.05 -2 3 -3 685.71 22.93 2 -3 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13.51 8.04 -7 -14 3 11.81 6.61 -7 -14 -3 3.19 4.78 -7 -14 3 6.22 7.65 -7 -14 -3 4.85 6.09 -7 -14 3 -6.31 7.10 -7 -14 -3 4.25 5.42 -7 -14 3 5.66 6.86 -7 -14 -3 -4.48 6.15 -7 -14 3 6.14 5.54 7 14 3 2.12 4.57 7 14 -3 8.58 7.34 -7 14 -3 -0.42 4.41 7 -14 3 15.43 7.54 7 14 -3 9.12 5.33 7 14 -3 2.58 4.29 7 -14 -3 1.58 4.50 7 14 -4 128.69 19.09 -7 14 -4 117.70 15.76 7 -14 4 132.46 17.00 7 -14 -4 157.08 17.97 -7 14 -4 115.45 16.04 -7 -14 4 124.34 15.87 -7 14 -4 76.83 16.30 -7 15 0 9.73 7.40 -7 -15 0 -6.26 4.05 -7 15 0 -1.40 5.66 -7 -15 0 -2.75 5.57 -7 -15 0 -7.20 5.41 7 15 0 0.07 4.10 7 -15 0 6.25 5.59 -7 -15 0 2.09 4.81 -7 -15 0 -5.13 5.54 7 -15 0 -1.45 4.56 7 15 0 8.51 5.40 7 -15 0 -1.83 4.49 7 15 0 -5.35 4.73 -7 15 0 3.12 3.07 -7 -15 0 7.00 7.66 -7 15 -1 38.95 10.38 -7 15 1 24.55 8.16 -7 -15 -1 19.94 6.80 -7 -15 1 28.90 8.38 -7 15 -1 12.00 6.87 -7 15 1 27.25 8.42 -7 -15 -1 25.00 7.37 -7 -15 1 29.02 8.90 -7 -15 -1 29.54 8.75 -7 -15 -1 31.87 8.75 -7 -15 1 17.24 6.49 7 15 1 24.68 8.74 7 15 -1 27.37 8.67 7 -15 1 32.39 9.18 7 -15 -1 36.62 9.16 -7 -15 1 18.92 8.70 -7 -15 -1 21.45 7.66 -7 -15 1 23.91 7.25 7 -15 1 35.85 9.22 7 15 1 24.59 8.31 7 15 -1 44.52 9.51 7 -15 -1 35.72 8.22 -7 15 -1 25.91 6.82 7 -15 1 30.48 8.62 -7 -15 -1 6.37 5.91 -7 -15 1 26.02 9.72 7 15 1 39.01 9.88 -7 15 -2 4.27 5.54 -7 15 2 -1.39 5.78 -7 -15 -2 -2.58 5.98 -7 15 -2 -2.69 5.44 -7 -15 2 0.27 4.38 -7 15 2 -16.73 9.90 -7 -15 -2 1.85 4.43 -7 -15 2 -10.82 7.86 -7 -15 -2 -1.62 4.22 -7 -15 -2 -1.15 5.57 -7 -15 2 8.12 6.44 7 15 -2 3.88 5.88 7 -15 -2 -5.60 5.73 -7 -15 -2 -6.51 5.15 -7 -15 2 -6.77 7.38 -7 -15 2 -3.68 7.14 7 15 2 -1.09 4.43 -7 15 -2 9.56 5.98 7 -15 2 7.77 5.32 7 15 -2 5.95 5.62 7 15 -2 -1.49 5.83 -7 15 -3 11.23 6.32 -7 15 -3 8.97 7.20 -7 -15 3 -3.88 4.35 -7 -15 3 -14.51 7.50 -7 -15 3 -4.98 7.34 -7 -15 3 -8.15 7.22 -7 -15 3 1.30 7.12 7 15 3 -3.96 6.46 7 15 -3 6.80 6.29 -7 15 -3 -6.19 5.73 7 -15 3 -1.32 3.92 7 15 -3 -1.21 4.79 7 15 -3 -8.45 4.66 7 -15 -3 3.06 4.39 7 15 -4 9.24 8.31 -7 15 -4 6.81 5.58 7 -15 -4 -3.99 5.08 -7 15 -4 -2.15 4.50 -7 15 -4 12.91 8.95 -7 -15 4 -5.34 5.54 -7 16 0 2.07 5.23 -7 -16 0 2.20 5.57 -7 16 0 11.85 7.14 -7 -16 0 -1.28 4.94 -7 -16 0 0.13 5.03 7 16 0 2.01 5.14 7 -16 0 0.55 5.24 -7 -16 0 1.82 4.48 -7 -16 0 1.62 4.64 7 -16 0 3.30 4.62 7 -16 0 -5.40 4.25 7 16 0 -4.57 5.32 -7 -16 0 2.16 6.06 -7 16 -1 24.50 8.87 -7 16 1 13.11 6.29 -7 -16 -1 20.00 7.73 -7 -16 1 17.01 6.86 -7 16 -1 5.05 5.62 -7 16 1 10.32 7.44 -7 -16 -1 29.84 8.93 -7 -16 1 12.10 6.37 -7 -16 -1 16.76 6.94 -7 -16 -1 14.81 7.59 -7 -16 1 8.62 5.36 7 16 1 29.14 10.40 7 16 -1 27.78 8.33 7 -16 1 24.21 8.33 7 -16 -1 30.78 9.06 -7 -16 1 14.59 7.29 -7 -16 -1 21.80 7.14 -7 -16 1 13.67 5.46 7 16 1 32.88 8.81 7 16 -1 26.65 7.35 7 -16 1 19.54 7.16 -7 -16 -1 8.14 7.02 7 16 1 17.03 6.69 -7 16 -2 40.70 9.75 -7 16 2 60.69 12.15 -7 -16 -2 47.93 11.18 -7 16 -2 36.02 10.63 -7 -16 2 50.60 10.43 -7 -16 -2 44.71 10.99 -7 -16 2 54.80 13.22 -7 -16 -2 45.65 10.35 -7 -16 2 44.16 11.63 -7 -16 -2 39.02 10.11 -7 -16 -2 31.77 9.34 -7 -16 2 45.21 11.73 -7 -16 2 34.43 11.00 7 16 2 56.67 12.45 7 16 -2 42.68 9.91 7 -16 -2 50.57 10.61 -7 16 -2 46.95 9.32 7 -16 2 45.73 9.93 7 16 -2 49.10 10.22 -7 16 -3 10.13 7.31 -7 -16 3 4.18 4.86 7 -16 -3 3.85 3.97 7 16 3 1.64 4.85 7 16 -3 17.49 9.05 -7 16 -3 2.29 5.61 7 -16 3 8.84 5.52 7 16 -3 3.20 5.36 -7 16 -3 -7.55 5.42 -7 16 -3 3.19 4.78 7 16 -4 43.03 11.85 -7 16 -4 38.59 10.27 -7 16 -4 31.76 8.56 -7 16 -4 23.28 11.10 -7 -16 4 35.23 8.07 -7 -17 0 -3.81 5.58 -7 17 0 6.08 6.68 -7 -17 0 -1.24 5.18 -7 -17 0 -4.59 4.14 7 17 0 6.35 5.06 -7 -17 0 -13.89 8.70 -7 -17 0 -8.42 8.25 7 17 0 -4.29 5.98 -7 17 0 4.72 7.26 -7 17 -1 193.09 22.59 -7 17 1 177.29 21.63 -7 -17 -1 169.69 19.38 -7 -17 1 172.81 18.43 -7 17 1 162.54 21.44 -7 17 -1 154.06 20.02 -7 -17 -1 191.08 21.70 -7 -17 1 142.20 19.62 -7 -17 -1 166.38 20.16 -7 -17 -1 209.05 23.04 -7 -17 1 124.54 18.03 7 17 1 210.94 21.28 7 17 -1 202.09 20.19 7 -17 -1 212.56 20.80 -7 -17 1 144.73 19.16 -7 -17 1 152.37 20.34 -7 -17 -1 184.35 21.05 7 17 1 203.57 21.22 7 -17 1 195.01 20.43 7 17 -1 189.48 19.55 -7 17 -2 34.17 10.20 -7 17 2 54.72 12.26 -7 -17 -2 42.94 10.48 -7 17 -2 31.83 8.74 -7 -17 2 39.50 8.79 -7 -17 2 35.69 9.97 -7 -17 2 33.70 9.39 -7 -17 2 40.61 10.66 -7 -17 2 44.63 11.15 7 17 2 45.31 11.17 7 17 -2 56.97 11.63 7 -17 -2 57.62 11.69 7 17 -2 37.86 8.81 7 -17 2 44.27 10.13 -7 17 -3 -0.64 6.54 -7 -17 3 0.69 4.34 7 17 -3 7.47 5.61 7 -17 -3 9.17 6.09 7 17 3 -10.15 8.18 -7 17 -3 1.26 4.49 -7 17 -3 1.83 5.27 -7 -18 0 -10.52 7.61 -7 18 0 6.68 5.76 -7 -18 0 12.68 7.55 -7 -18 0 -12.47 7.49 7 18 0 -3.37 6.05 -7 -18 0 -0.41 6.29 -7 -18 0 3.14 4.58 7 18 0 -0.53 3.71 -7 18 0 -1.23 7.44 -7 18 -1 -10.81 7.59 -7 18 1 0.21 5.66 -7 -18 -1 2.29 5.43 -7 -18 1 3.64 4.58 -7 18 -1 15.78 8.30 -7 18 1 -5.10 5.38 -7 -18 -1 -1.81 5.22 -7 -18 1 -8.37 6.83 -7 -18 -1 -0.10 5.59 -7 -18 -1 -19.27 8.58 -7 -18 1 -7.62 7.00 -7 -18 1 -0.40 5.05 -7 -18 -1 0.50 5.72 -7 -18 1 -9.48 8.20 7 18 1 3.20 4.59 7 18 -1 2.29 4.52 7 18 -1 4.77 6.27 -7 -18 2 4.86 4.40 -7 18 -2 7.22 6.30 7 18 -2 27.05 8.15 7 18 2 -1.44 5.82 -7 18 -2 8.75 7.02 7 18 -2 8.03 7.08 -7 18 -3 3.86 5.20 -7 -18 3 5.53 4.42 7 18 -3 9.28 4.18 7 18 3 -8.09 6.88 -7 18 -3 12.78 6.43 -7 -19 0 -5.26 4.68 -7 19 0 -10.91 8.48 7 19 0 -3.86 6.09 -7 19 0 -15.00 7.89 7 19 -1 177.48 19.01 7 19 -1 158.21 18.24 -7 19 -1 164.91 21.06 -7 19 1 110.37 17.95 -7 -19 1 152.50 17.54 -7 -19 -1 149.40 18.26 -7 19 -1 133.83 18.78 -7 19 1 109.64 17.53 -7 -19 2 19.46 6.93 -7 19 -2 18.62 9.23 7 19 -2 6.88 5.95 7 19 2 17.44 7.40 -7 19 -2 12.06 6.49 7 19 -2 19.62 7.19 -7 19 -3 -18.77 9.96 7 19 3 -11.43 9.27 -7 19 -3 1.41 4.99 7 19 -3 -7.97 6.56 -7 -20 0 -7.16 6.84 -7 20 0 5.46 7.73 -7 20 0 -2.39 5.43 7 20 -1 0.49 5.43 7 20 -1 1.31 5.45 -7 -20 -1 0.35 4.66 -7 -20 1 -7.61 5.56 -7 20 -1 -4.16 6.06 -7 20 -1 5.61 6.18 7 20 -2 -0.77 4.46 -7 -20 2 14.25 7.19 -7 20 -2 5.76 5.58 -7 20 -2 -7.37 7.80 7 20 -2 2.30 4.14 -7 20 -3 -2.47 6.24 7 20 3 -2.61 7.10 -7 -21 0 0.67 5.34 -7 21 0 -7.57 8.37 -7 -21 -1 59.12 12.23 -7 -21 1 59.20 11.06 -7 21 -1 49.64 12.62 7 21 -1 61.27 11.65 -7 21 -1 74.95 14.54 7 21 -2 46.14 10.58 7 21 -2 42.47 10.57 -7 21 -2 43.26 10.09 -7 21 -2 27.70 8.93 -7 -22 0 -3.38 4.82 -7 22 0 -8.08 5.93 -7 -22 -1 26.65 8.53 -7 -22 1 21.69 7.01 -7 22 -1 13.24 6.95 7 22 -2 49.58 10.85 7 22 -2 45.50 10.42 -7 -23 0 -1.06 4.22 -7 23 -1 5.77 5.92 8 0 0 222.09 22.27 8 0 -1 -1.92 5.36 8 0 -1 16.99 8.75 8 0 -1 4.59 5.65 8 0 -2 35.74 9.76 8 0 -3 -10.37 7.31 -8 1 0 -9.87 6.71 8 -1 0 2.15 6.05 8 1 0 8.54 7.04 8 1 -1 -8.70 7.37 8 -1 -1 3.22 5.93 -8 1 1 -1.95 4.74 8 -1 -1 -1.31 5.22 8 1 -1 2.52 7.10 8 -1 -1 -2.34 4.43 8 1 -1 6.47 5.40 8 1 1 -5.24 3.96 8 1 -2 1.33 7.50 8 -1 -2 1.56 5.63 8 1 -2 -7.76 6.44 8 1 -3 10.49 4.53 8 -1 -3 -2.76 5.91 -8 2 0 118.98 15.79 8 -2 0 164.19 19.16 8 2 0 173.48 19.61 8 2 -1 -0.33 5.62 8 -2 -1 7.31 6.47 -8 2 1 -7.94 5.78 8 2 -1 8.75 6.90 8 -2 -1 -7.19 6.98 8 2 -1 2.03 5.23 8 2 1 1.35 4.41 8 2 -2 63.95 12.29 8 -2 -2 58.12 11.29 8 2 -2 61.81 13.50 8 2 -3 -8.16 5.79 8 -2 -3 -3.31 4.43 -8 3 0 -7.39 7.26 8 3 0 3.90 4.63 8 3 -1 12.59 7.52 8 -3 -1 4.73 6.50 -8 3 -1 -0.48 4.01 -8 3 1 -1.32 4.63 8 3 -1 6.61 6.10 8 -3 -1 -1.04 5.25 8 3 -1 15.25 6.72 8 3 1 1.42 5.09 8 3 -2 5.58 5.97 8 -3 -2 -6.30 5.58 -8 3 2 11.32 5.95 8 3 -2 -6.05 6.65 8 3 -3 24.02 7.51 8 -3 -3 27.28 8.96 -8 4 0 46.18 10.17 8 4 0 60.86 12.06 8 4 -1 8.12 6.80 -8 4 -1 4.25 5.37 -8 4 1 -2.06 5.98 8 4 -1 -6.47 8.46 8 4 -1 14.22 8.40 8 4 1 0.04 4.02 8 4 -2 19.69 8.21 8 -4 -2 28.50 8.54 -8 4 2 21.12 7.93 8 4 -2 26.50 8.87 8 4 -2 17.64 10.00 8 4 -3 1.56 5.55 8 -4 -3 17.62 10.13 -8 5 0 0.55 4.96 8 5 0 9.31 7.13 8 5 -1 71.36 13.33 8 5 -1 66.08 13.23 8 5 1 61.46 11.84 -8 5 -1 73.79 12.61 -8 5 1 49.47 9.93 8 5 -1 66.53 13.56 -8 -5 -2 -5.77 5.17 -8 -5 -2 1.98 3.79 -8 -5 -2 -1.49 3.39 8 5 -2 4.03 5.05 8 -5 -2 -0.31 6.04 -8 -5 -2 -7.04 4.75 8 5 -2 -4.70 7.39 -8 5 2 0.01 5.23 8 5 -2 -5.97 6.88 -8 -5 -3 219.03 21.01 8 5 -3 248.22 22.12 8 -5 -3 257.87 23.09 -8 -5 -3 216.25 20.67 -8 -5 -3 198.75 19.83 -8 -5 -3 226.45 21.15 -8 -6 0 1.78 3.59 -8 -6 0 -7.28 5.46 -8 -6 0 -0.67 3.20 -8 -6 0 3.43 4.07 8 6 0 1.17 5.22 -8 6 0 -2.38 4.52 8 6 0 7.58 7.97 -8 -6 -1 -8.02 6.11 -8 -6 -1 4.42 4.24 -8 -6 -1 -1.63 4.32 8 6 -1 1.04 4.49 -8 -6 -1 -5.49 5.28 8 6 -1 -8.54 7.38 8 6 1 5.55 5.89 -8 6 -1 7.22 5.90 -8 6 1 5.68 5.00 8 6 -1 15.50 9.95 -8 -6 -2 6.36 5.47 -8 -6 -2 -1.65 4.24 8 6 -2 -5.32 6.74 -8 -6 -2 0.54 3.48 -8 -6 -2 2.72 4.13 -8 6 2 2.75 4.52 8 6 -2 4.82 5.78 -8 -6 -3 1.57 5.24 8 6 -3 36.11 11.00 8 -6 -3 24.77 11.42 -8 -6 -3 -8.74 7.24 -8 -6 -3 -2.69 5.48 -8 -6 -3 7.10 4.38 -8 -7 0 4.75 4.39 -8 -7 0 3.55 4.64 -8 -7 0 0.46 3.97 -8 -7 0 7.74 4.64 8 7 0 8.30 7.57 -8 7 0 5.64 3.83 8 7 0 10.11 8.23 -8 -7 -1 45.08 9.24 -8 -7 -1 44.76 9.10 -8 -7 -1 35.10 8.06 -8 -7 1 36.47 8.57 8 7 -1 48.82 10.46 -8 -7 1 40.26 8.80 -8 -7 -1 24.50 6.73 8 7 -1 50.88 12.41 8 7 1 49.98 11.48 -8 7 -1 24.65 6.70 -8 7 1 39.78 9.20 8 7 -1 45.50 11.36 -8 -7 -2 8.60 6.14 -8 -7 -2 3.62 3.93 -8 -7 -2 -5.35 3.95 8 7 -2 -3.52 4.13 -8 -7 -2 -1.13 4.09 -8 7 2 1.16 4.97 -8 7 2 -10.72 6.51 8 7 -2 8.82 7.06 -8 -7 -3 135.36 16.81 -8 -7 -3 136.48 16.19 -8 -7 -3 136.05 16.60 -8 -7 -3 150.64 17.42 -8 -8 0 25.94 6.83 -8 -8 0 20.07 5.70 -8 -8 0 13.03 4.89 -8 -8 0 19.84 5.98 8 8 0 32.30 9.53 -8 8 0 18.49 5.38 -8 -8 -1 -1.30 4.48 -8 -8 1 -1.66 6.24 -8 -8 -1 0.61 4.15 -8 -8 -1 -4.71 5.84 -8 -8 1 -0.53 5.00 -8 -8 1 -0.15 3.75 -8 -8 1 -0.98 3.90 -8 -8 -1 -12.66 5.75 8 8 -1 -1.06 4.98 8 8 1 -4.48 4.13 -8 8 -1 -12.70 7.78 -8 8 1 6.68 5.41 8 8 -1 -12.13 6.77 -8 -8 -2 7.26 4.90 -8 -8 -2 3.77 4.57 -8 -8 -2 4.96 3.93 8 8 -2 7.02 5.36 -8 -8 -2 6.20 4.90 -8 8 2 9.23 5.42 8 8 -2 6.21 5.80 -8 8 2 0.41 4.81 -8 -9 0 4.62 4.34 -8 -9 0 0.88 4.49 -8 -9 0 5.41 4.46 -8 -9 0 4.98 4.31 8 9 0 2.30 5.44 -8 9 0 0.01 4.81 -8 -9 -1 15.44 6.47 -8 -9 1 24.49 7.78 -8 -9 -1 10.33 4.78 -8 -9 -1 21.59 5.23 -8 -9 1 19.72 6.63 -8 -9 1 32.37 8.55 -8 -9 1 28.77 7.88 -8 -9 -1 24.22 6.02 8 9 1 5.48 5.10 -8 9 -1 16.57 6.38 -8 9 1 34.14 8.78 8 9 -1 23.71 9.24 -8 -9 -2 10.49 6.22 -8 -9 2 5.71 4.45 -8 -9 -2 1.91 4.80 -8 -9 2 7.65 6.16 -8 -9 -2 10.53 5.80 8 9 -2 6.51 6.28 -8 -9 2 2.03 4.26 -8 -9 2 4.63 6.26 -8 -9 -2 -7.10 5.81 -8 9 2 2.04 5.97 8 9 -2 1.25 5.76 -8 9 2 2.82 3.89 -8 -10 0 77.95 12.62 -8 -10 0 70.44 11.95 -8 -10 0 64.73 11.13 -8 -10 0 78.71 12.47 8 10 0 90.97 15.47 -8 10 0 61.21 10.74 -8 -10 -1 4.17 4.44 -8 -10 1 1.00 4.18 -8 -10 -1 3.14 4.96 -8 -10 1 6.11 6.38 -8 -10 -1 -7.02 5.57 -8 -10 -1 -3.88 4.91 -8 -10 1 8.22 4.85 -8 -10 1 11.12 6.52 8 10 1 5.60 4.31 -8 10 -1 -4.62 6.03 -8 10 1 5.26 5.33 8 10 -1 2.04 6.80 -8 -10 -2 23.42 8.46 -8 -10 2 -5.72 6.66 -8 -10 -2 8.34 3.92 -8 -10 2 -4.75 5.01 -8 -10 -2 27.81 8.20 8 10 -2 22.34 7.53 -8 -10 2 8.82 5.76 -8 -10 2 13.31 7.00 -8 -10 -2 13.13 5.84 -8 10 2 14.07 5.94 8 10 -2 -2.20 5.96 -8 10 2 23.12 8.46 -8 -11 0 -3.02 4.62 -8 -11 0 -3.05 5.34 -8 -11 0 2.46 4.39 -8 -11 0 2.11 4.69 8 11 0 -12.72 7.82 -8 11 0 -3.48 4.87 -8 11 1 -15.73 9.24 -8 -11 -1 11.05 7.13 -8 -11 1 17.85 7.70 -8 -11 -1 2.29 4.46 -8 -11 1 16.63 7.15 -8 -11 -1 8.53 5.63 -8 -11 -1 13.28 6.90 -8 -11 1 6.79 5.32 -8 -11 1 15.87 7.09 8 11 1 10.73 5.79 -8 11 -1 18.20 7.07 -8 11 1 3.24 3.95 -8 -11 2 -0.95 4.89 -8 -11 2 -4.76 7.06 8 11 -2 2.03 5.88 -8 -11 2 -0.20 4.92 -8 -11 2 -12.08 8.45 8 11 -2 -0.43 5.61 -8 11 2 14.03 7.09 -8 -12 0 150.62 18.67 -8 -12 0 138.37 17.52 -8 12 0 149.33 16.60 -8 -12 0 149.56 18.12 -8 -12 0 119.25 16.35 -8 12 1 6.56 5.77 -8 -12 1 1.82 5.90 -8 -12 1 -2.99 5.09 -8 -12 1 7.58 4.57 8 12 1 -2.23 4.71 -8 12 -1 4.70 5.76 -8 -12 1 -0.13 4.19 -8 12 -2 29.47 8.86 8 13 1 -3.94 6.40 -8 13 1 -13.57 10.21 -8 14 1 -10.04 8.04 0 0 0 0.00 0.00 TITL Mbromofuran ACN 100K in Pnma REM Pnma (#62, found as Pnam in a-cb setting) CELL 0.71073 6.217 30.110 7.180 90.0000 90.0000 90.0000 ZERR 4.00 0.003 0.008 0.003 0.0000 0.0000 0.0000 LATT 1 SYMM -x+1/2,-y, z+1/2 SYMM -x, y+1/2,-z SYMM x+1/2,-y+1/2,-z+1/2 SFAC C H O Br UNIT 64.00 40.00 4.00 8.00 REM CrysAlisPro recorded range (K): Min=99.6; max=100.2; aver:99.9 TEMP -173 SIZE 0.06 0.22 0.42 TREF HKLF 4 END _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' ; _shelx_hkl_checksum 88851 _olex2_date_sample_data_collection 2021-12-15 _olex2_submission_special_instructions 'No special instructions were received' _oxdiff_exptl_absorpt_empirical_details ; Empirical correction (ABSPACK) includes: - Absorption correction using spherical harmonics - Frame scaling ; _oxdiff_exptl_absorpt_empirical_full_max 2.027 _oxdiff_exptl_absorpt_empirical_full_min 0.775 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, -y, z+1/2' '-x, y+1/2, -z' 'x+1/2, -y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, y, -z-1/2' 'x, -y-1/2, z' '-x-1/2, y-1/2, z-1/2' 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 Br1 Br 0.18812(5) 0.46091(2) 0.58355(5) 0.02249(13) Uani 1 1 d . . . . . O1 O 0.3973(5) 0.250000 0.4914(4) 0.0167(6) Uani 1 2 d S T P . . C6 C 0.5599(5) 0.41415(10) 0.4581(4) 0.0185(6) Uani 1 1 d . . . . . H6 H 0.621712 0.442743 0.441875 0.022 Uiso 1 1 calc R U . . . C7 C 0.3532(5) 0.40937(10) 0.5292(4) 0.0179(6) Uani 1 1 d . . . . . C8 C 0.2595(5) 0.36816(10) 0.5580(4) 0.0174(6) Uani 1 1 d . . . . . H8 H 0.120765 0.365798 0.612619 0.021 Uiso 1 1 calc R U . . . C3 C 0.3735(5) 0.33005(10) 0.5048(4) 0.0163(6) Uani 1 1 d . . . . . C4 C 0.5817(5) 0.33448(10) 0.4317(4) 0.0175(6) Uani 1 1 d . . . . . H4 H 0.660187 0.308788 0.395891 0.021 Uiso 1 1 calc R U . . . C5 C 0.6734(5) 0.37619(11) 0.4114(4) 0.0190(6) Uani 1 1 d . . . . . H5 H 0.815955 0.378738 0.364941 0.023 Uiso 1 1 calc R U . . . C1 C 0.2729(5) 0.28667(10) 0.5270(4) 0.0174(6) Uani 1 1 d . . . . . C2 C 0.0717(5) 0.27360(10) 0.5815(4) 0.0185(6) Uani 1 1 d . . . . . H2 H -0.045290 0.292425 0.613173 0.022 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 Br1 0.02405(19) 0.01690(18) 0.0265(2) 0.00014(12) 0.00224(13) 0.00374(11) O1 0.0159(14) 0.0169(14) 0.0173(15) 0.000 0.0017(12) 0.000 C6 0.0181(14) 0.0206(14) 0.0169(14) 0.0015(11) -0.0028(12) -0.0034(12) C7 0.0214(15) 0.0183(14) 0.0140(13) -0.0014(11) -0.0017(11) 0.0045(12) C8 0.0187(14) 0.0211(15) 0.0125(14) 0.0012(11) -0.0024(11) 0.0005(12) C3 0.0181(14) 0.0197(14) 0.0111(13) 0.0010(11) -0.0029(11) 0.0014(11) C4 0.0179(15) 0.0214(14) 0.0131(13) -0.0010(11) -0.0019(12) 0.0011(12) C5 0.0171(14) 0.0253(16) 0.0147(14) 0.0007(11) 0.0006(11) -0.0009(12) C1 0.0201(14) 0.0189(15) 0.0133(13) -0.0005(11) -0.0023(11) 0.0028(12) C2 0.0191(15) 0.0206(15) 0.0158(14) -0.0010(11) 0.0001(12) 0.0023(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' Br Br -0.2901 2.4595 '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' loop_ _exptl_crystal_face_index_h _exptl_crystal_face_index_k _exptl_crystal_face_index_l _exptl_crystal_face_perp_dist 6 -11 6 0.1024 -6 11 -6 0.0694 -4 30 5 0.1321 4 -30 -5 0.1525 -2 41 -1 0.0200 1 -42 2 0.0335 8 5 -4 0.2004 0 42 -2 0.0244 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 C1 O1 C1 107.2(3) 7_565 . ? C7 C6 H6 120.8 . . ? C5 C6 H6 120.8 . . ? C5 C6 C7 118.3(3) . . ? C6 C7 Br1 119.3(2) . . ? C8 C7 Br1 118.2(2) . . ? C8 C7 C6 122.4(3) . . ? C7 C8 H8 120.7 . . ? C7 C8 C3 118.6(3) . . ? C3 C8 H8 120.7 . . ? C8 C3 C4 119.4(3) . . ? C8 C3 C1 119.2(3) . . ? C4 C3 C1 121.5(3) . . ? C3 C4 H4 119.8 . . ? C5 C4 C3 120.3(3) . . ? C5 C4 H4 119.8 . . ? C6 C5 C4 120.8(3) . . ? C6 C5 H5 119.6 . . ? C4 C5 H5 119.6 . . ? O1 C1 C3 117.3(3) . . ? C2 C1 O1 109.7(3) . . ? C2 C1 C3 133.0(3) . . ? C1 C2 C2 106.72(18) . 7_565 ? C1 C2 H2 126.6 . . ? C2 C2 H2 126.6 7_565 . ? 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 Br1 C7 1.901(3) . ? O1 C1 1.372(3) 7_565 ? O1 C1 1.372(3) . ? C6 H6 0.9500 . ? C6 C7 1.390(5) . ? C6 C5 1.384(4) . ? C7 C8 1.386(4) . ? C8 H8 0.9500 . ? C8 C3 1.402(4) . ? C3 C4 1.403(4) . ? C3 C1 1.457(4) . ? C4 H4 0.9500 . ? C4 C5 1.387(4) . ? C5 H5 0.9500 . ? C1 C2 1.368(5) . ? C2 C2 1.421(6) 7_565 ? C2 H2 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 Br1 C7 C8 C3 175.1(2) . . . . ? O1 C1 C2 C2 0.6(3) . . . 7_565 ? C6 C7 C8 C3 -3.2(4) . . . . ? C7 C6 C5 C4 1.3(5) . . . . ? C7 C8 C3 C4 2.7(4) . . . . ? C7 C8 C3 C1 -177.4(3) . . . . ? C8 C3 C4 C5 -0.3(4) . . . . ? C8 C3 C1 O1 -173.5(3) . . . . ? C8 C3 C1 C2 5.2(5) . . . . ? C3 C4 C5 C6 -1.7(5) . . . . ? C3 C1 C2 C2 -178.1(3) . . . 7_565 ? C4 C3 C1 O1 6.4(4) . . . . ? C4 C3 C1 C2 -174.9(3) . . . . ? C5 C6 C7 Br1 -177.0(2) . . . . ? C5 C6 C7 C8 1.2(5) . . . . ? C1 O1 C1 C3 178.02(18) 7_565 . . . ? C1 O1 C1 C2 -0.9(4) 7_565 . . . ? C1 C3 C4 C5 179.8(3) . . . . ? loop_ _exptl_oxdiff_crystal_face_indexfrac_h _exptl_oxdiff_crystal_face_indexfrac_k _exptl_oxdiff_crystal_face_indexfrac_l _exptl_oxdiff_crystal_face_x _exptl_oxdiff_crystal_face_y _exptl_oxdiff_crystal_face_z 6.4893 -11.3591 6.2457 -0.7180 0.2856 0.6347 -6.4893 11.3591 -6.2457 0.7180 -0.2856 -0.6347 -4.3457 30.1311 5.0696 -0.3951 0.1527 -0.9059 4.3457 -30.1311 -5.0696 0.3951 -0.1527 0.9059 -1.9999 41.0000 -1.0000 0.1803 0.5495 -0.8124 0.9999 -42.0000 2.0000 -0.2653 -0.6493 0.7341 8.0000 5.0001 -3.9998 0.2851 0.7296 0.6242 0.0001 42.0001 -2.0000 0.2512 0.7276 -0.6523 _cod_database_fobs_code 2300728