#------------------------------------------------------------------------------ #$Date: 2021-06-05 21:35:27 +0300 (Sat, 05 Jun 2021) $ #$Revision: 266019 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/70/71/7707168.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_7707168 loop_ _publ_author_name 'Pappuru, Sreenath' 'Idrees, Karam B.' 'Chen, Zhijie' 'Shpasser, Dina' 'Gazit, Oz M.' _publ_section_title ; A rare 4-fold interpenetrated metal-organic framework constructed from an anionic indium-based node and a cationic dicopper linker. ; _journal_issue 19 _journal_name_full 'Dalton transactions (Cambridge, England : 2003)' _journal_page_first 6631 _journal_page_last 6636 _journal_paper_doi 10.1039/d1dt00764e _journal_volume 50 _journal_year 2021 _chemical_absolute_configuration unk _chemical_formula_moiety 'C30 H37 Cu2 N4 O8, 2(Cl O4)' _chemical_formula_sum 'C30 H37 Cl2 Cu2 N4 O16' _chemical_formula_weight 907.61 _chemical_name_common 'Oz4b (Sreenath)' _space_group_crystal_system orthorhombic _space_group_IT_number 19 _space_group_name_Hall 'P 2ac 2ab' _space_group_name_H-M_alt 'P 21 21 21' _atom_sites_solution_hydrogens mixed _audit_creation_method SHELXL-2018/3 _audit_update_record ; 2020-10-20 deposited with the CCDC. 2021-04-21 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 11.982(3) _cell_length_b 16.944(4) _cell_length_c 19.081(5) _cell_measurement_reflns_used 6873 _cell_measurement_temperature 200(2) _cell_measurement_theta_max 25.090 _cell_measurement_theta_min 2.082 _cell_volume 3873.9(17) _computing_cell_refinement 'APEX2 v2010.7-0 (Bruker AXS)' _computing_data_collection 'Bruker Instrument Service v2010.7.0.0' _computing_data_reduction 'SAINT V7.68A (Bruker AXS, 2009)' _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'SHELXL-2018/3 (Sheldrick, 2018)' _computing_structure_solution 'SHELXT 2014/4 (Sheldrick, 2014)' _diffrn_ambient_temperature 200(2) _diffrn_detector_area_resol_mean 95 _diffrn_measured_fraction_theta_full 0.995 _diffrn_measured_fraction_theta_max 0.995 _diffrn_measurement_device_type 'APEX2 (Bruker AXS)' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.1163 _diffrn_reflns_av_unetI/netI 0.1139 _diffrn_reflns_Laue_measured_fraction_full 0.995 _diffrn_reflns_Laue_measured_fraction_max 0.995 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_k_max 20 _diffrn_reflns_limit_k_min -20 _diffrn_reflns_limit_l_max 22 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_number 33181 _diffrn_reflns_point_group_measured_fraction_full 0.994 _diffrn_reflns_point_group_measured_fraction_max 0.994 _diffrn_reflns_theta_full 25.090 _diffrn_reflns_theta_max 25.090 _diffrn_reflns_theta_min 2.082 _exptl_absorpt_coefficient_mu 1.310 _exptl_absorpt_correction_T_max 0.871 _exptl_absorpt_correction_T_min 0.6955 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'SADABS V2008/1 (Bruker AXS)' _exptl_crystal_colour 'dark green' _exptl_crystal_density_diffrn 1.556 _exptl_crystal_description plate _exptl_crystal_F_000 1860 _exptl_crystal_size_max 0.270 _exptl_crystal_size_mid 0.210 _exptl_crystal_size_min 0.090 _refine_diff_density_max 2.086 _refine_diff_density_min -0.523 _refine_diff_density_rms 0.156 _refine_ls_abs_structure_details ; Flack x determined using 1548 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). ; _refine_ls_abs_structure_Flack 0.0 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.037 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 403 _refine_ls_number_reflns 6873 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.037 _refine_ls_R_factor_all 0.1014 _refine_ls_R_factor_gt 0.0707 _refine_ls_shift/su_max 0.004 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1825 _refine_ls_wR_factor_ref 0.1952 _reflns_Friedel_coverage 0.787 _reflns_Friedel_fraction_full 0.992 _reflns_Friedel_fraction_max 0.992 _reflns_number_gt 4574 _reflns_number_total 6873 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d1dt00764e2.cif _cod_data_source_block Oz4b _cod_depositor_comments 'Adding full bibliography for 7707167--7707168.cif.' _cod_original_cell_volume 3873.8(18) _cod_database_code 7707168 _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_min 0.719 _shelx_estimated_absorpt_t_max 0.891 _shelx_res_file ; TITL oz4b.res created by SHELXL-2018/3 at 07:51:19 on 31-Jan-2019 CELL 0.71073 11.9817 16.9443 19.0807 90 90 90 ZERR 4 0.0031 0.0044 0.0051 0 0 0 LATT -1 SYMM 0.5-X,-Y,0.5+Z SYMM 0.5+X,0.5-Y,-Z SYMM -X,0.5+Y,0.5-Z SFAC C H Cl Cu N O UNIT 120 148 8 8 16 64 L.S. 4 PLAN 20 SIZE 0.09 0.21 0.27 TEMP -73 fmap 2 acta OMIT 1 2 0 OMIT 0 2 1 OMIT 0 1 1 OMIT -1 4 1 OMIT 1 4 1 OMIT 0 3 2 OMIT 0 0 2 OMIT 2 1 3 OMIT -2 1 3 OMIT 1 0 1 OMIT -2 1 1 OMIT -3 4 1 REM REM REM WGHT 0.100000 FVAR 0.19881 CU1 4 0.763475 0.725978 0.181286 11.00000 0.03840 0.02108 = 0.03059 0.00004 -0.00221 -0.00107 CU2 4 0.783080 0.726127 0.342793 11.00000 0.03822 0.02151 = 0.02989 -0.00080 0.00130 -0.00024 O1 6 0.777573 0.798703 0.261229 11.00000 0.03995 0.01908 = 0.03116 0.00160 0.00802 -0.00080 O2 6 0.800325 0.655387 0.261160 11.00000 0.03578 0.01931 = 0.03331 -0.00014 -0.00095 0.00551 O3 6 0.906341 1.152501 0.195198 11.00000 0.07672 0.02607 = 0.05755 0.01042 0.00904 -0.00485 O4 6 0.925551 1.152490 0.312582 11.00000 0.07379 0.02662 = 0.05890 -0.00648 0.00010 -0.00788 AFIX 83 H4 2 0.982688 1.180169 0.305752 11.00000 -1.50000 AFIX 0 O5 6 0.957095 0.302777 0.308563 11.00000 0.06047 0.03635 = 0.02879 0.00411 -0.00364 -0.00592 O6 6 0.937624 0.301802 0.193026 11.00000 0.07911 0.01446 = 0.03943 0.00163 0.00322 0.00343 AFIX 83 H6 2 0.937724 0.252653 0.198783 11.00000 -1.50000 AFIX 0 O7 6 0.573230 0.717008 0.199975 11.00000 0.03247 0.04620 = 0.06008 -0.00417 0.00292 -0.01134 O8 6 0.598272 0.712188 0.344821 11.00000 0.04058 0.07454 = 0.05249 -0.00740 0.00853 -0.00671 AFIX 7 H8A 2 0.569979 0.672082 0.377544 11.00000 -1.50000 H8B 2 0.565597 0.691585 0.301312 11.00000 -1.50000 AFIX 0 N1 5 0.770080 0.639820 0.112540 11.00000 0.04361 0.02314 = 0.03653 0.00182 -0.01397 -0.00642 N2 5 0.757104 0.812878 0.114710 11.00000 0.04188 0.03142 = 0.02656 -0.00242 -0.00179 0.00728 N3 5 0.792173 0.813302 0.410113 11.00000 0.03919 0.02460 = 0.03352 0.00204 0.00480 0.00574 N4 5 0.810335 0.639305 0.408606 11.00000 0.03353 0.01830 = 0.02653 -0.00280 -0.00267 0.00090 C1 1 0.733536 0.651423 0.038290 11.00000 0.05441 0.03699 = 0.02743 0.00030 -0.00890 -0.00874 AFIX 23 H1A 2 0.759821 0.606348 0.009701 11.00000 -1.20000 H1B 2 0.650966 0.652031 0.036457 11.00000 -1.20000 AFIX 0 C2 1 0.777046 0.726060 0.007595 11.00000 0.04563 0.03567 = 0.02662 -0.00978 -0.00496 -0.00299 C3 1 0.740723 0.725007 -0.070696 11.00000 0.07842 0.06812 = 0.02674 0.00532 -0.01696 0.01845 AFIX 137 H3A 2 0.744408 0.670873 -0.088629 11.00000 -1.50000 H3B 2 0.790808 0.758800 -0.098051 11.00000 -1.50000 H3C 2 0.664078 0.744685 -0.074717 11.00000 -1.50000 AFIX 0 C4 1 0.904738 0.731271 0.012198 11.00000 0.03427 0.07296 = 0.04368 -0.00593 0.00296 -0.02007 AFIX 137 H4A 2 0.928504 0.721132 0.060511 11.00000 -1.50000 H4B 2 0.929074 0.784132 -0.001974 11.00000 -1.50000 H4C 2 0.938160 0.691876 -0.019005 11.00000 -1.50000 AFIX 0 C5 1 0.720027 0.797572 0.040653 11.00000 0.05986 0.02701 = 0.03795 0.00441 -0.01662 0.00063 AFIX 23 H5A 2 0.736137 0.844806 0.011839 11.00000 -1.20000 H5B 2 0.638268 0.789144 0.040232 11.00000 -1.20000 AFIX 0 C6 1 0.780407 0.883912 0.129662 11.00000 0.04241 0.02238 = 0.04227 0.00298 0.00572 -0.00400 AFIX 43 H6A 2 0.779975 0.920426 0.091881 11.00000 -1.20000 AFIX 0 C7 1 0.807086 0.914753 0.196828 11.00000 0.03231 0.02738 = 0.04526 0.00808 -0.00182 0.00813 C8 1 0.840812 0.996373 0.194862 11.00000 0.03287 0.02610 = 0.05406 0.00472 0.00783 0.00763 AFIX 43 H8 2 0.846758 1.023039 0.151225 11.00000 -1.20000 AFIX 0 C9 1 0.864981 1.036634 0.257743 11.00000 0.03053 0.02527 = 0.05484 -0.00200 0.00446 0.00078 C10 1 0.853469 0.997197 0.321003 11.00000 0.03920 0.03299 = 0.03401 -0.00733 -0.00093 0.00771 AFIX 43 H10 2 0.867315 1.024942 0.363385 11.00000 -1.20000 AFIX 0 C11 1 0.822001 0.917589 0.324276 11.00000 0.03502 0.01235 = 0.05034 -0.00197 0.00032 0.00540 C12 1 0.800802 0.875531 0.260232 11.00000 0.03769 0.02703 = 0.03667 -0.00430 0.00452 0.00339 C13 1 0.898580 1.118725 0.256714 11.00000 0.04401 0.01793 = 0.06010 -0.00296 -0.00069 0.00108 C14 1 0.810710 0.884542 0.393264 11.00000 0.03058 0.03215 = 0.03621 -0.01021 0.00493 0.00669 AFIX 43 H14 2 0.818062 0.920636 0.431082 11.00000 -1.20000 AFIX 0 C15 1 0.775088 0.799242 0.485245 11.00000 0.04347 0.03679 = 0.03334 -0.00108 0.00902 -0.00545 AFIX 23 H15A 2 0.694416 0.791438 0.494062 11.00000 -1.20000 H15B 2 0.798986 0.846657 0.511588 11.00000 -1.20000 AFIX 0 C16 1 0.838652 0.727955 0.512818 11.00000 0.04380 0.03141 = 0.02866 -0.00790 0.00410 -0.00328 C17 1 0.959833 0.736032 0.497268 11.00000 0.05092 0.05131 = 0.04851 -0.00684 -0.00593 0.01163 AFIX 137 H17A 2 0.970135 0.745828 0.447064 11.00000 -1.50000 H17B 2 0.998554 0.687285 0.510415 11.00000 -1.50000 H17C 2 0.990605 0.780299 0.524085 11.00000 -1.50000 AFIX 0 C18 1 0.818192 0.724405 0.592508 11.00000 0.07115 0.03855 = 0.03757 -0.00088 0.00358 -0.00992 AFIX 137 H18A 2 0.861198 0.766111 0.615682 11.00000 -1.50000 H18B 2 0.841819 0.672849 0.610444 11.00000 -1.50000 H18C 2 0.738550 0.731999 0.602066 11.00000 -1.50000 AFIX 0 C19 1 0.790902 0.652026 0.483667 11.00000 0.05916 0.04124 = 0.03372 0.00963 0.00964 -0.00410 AFIX 23 H19A 2 0.823552 0.607186 0.509860 11.00000 -1.20000 H19B 2 0.709421 0.651640 0.492267 11.00000 -1.20000 AFIX 0 C20 1 0.841165 0.571707 0.390507 11.00000 0.04059 0.03185 = 0.03477 0.00773 -0.00044 -0.00748 AFIX 43 H20 2 0.855621 0.536296 0.428026 11.00000 -1.20000 AFIX 0 C21 1 0.858312 0.538951 0.320434 11.00000 0.03395 0.02236 = 0.02479 0.00009 0.00257 -0.00534 C22 1 0.892113 0.462432 0.316424 11.00000 0.03205 0.03187 = 0.02939 -0.00517 0.00442 0.00023 AFIX 43 H22 2 0.910330 0.435579 0.358607 11.00000 -1.20000 AFIX 0 C23 1 0.901350 0.421118 0.252445 11.00000 0.03759 0.02262 = 0.02816 -0.01470 -0.00008 0.00371 C24 1 0.875568 0.459769 0.193440 11.00000 0.04820 0.01818 = 0.03234 -0.00229 -0.00212 -0.00413 AFIX 43 H24 2 0.884103 0.433451 0.149805 11.00000 -1.20000 AFIX 0 C25 1 0.835601 0.539342 0.193804 11.00000 0.03857 0.03062 = 0.03452 0.00222 0.00459 0.00631 C26 1 0.831057 0.580644 0.258765 11.00000 0.03776 0.01493 = 0.03232 -0.00740 -0.00271 -0.00218 C27 1 0.934205 0.335729 0.252173 11.00000 0.03693 0.02656 = 0.02718 0.00582 0.00662 -0.00594 C28 1 0.806412 0.571584 0.124956 11.00000 0.04133 0.03102 = 0.02651 -0.00799 -0.00396 -0.00722 AFIX 43 H28 2 0.815860 0.537590 0.085810 11.00000 -1.20000 AFIX 0 C29 1 0.503841 0.659752 0.173501 11.00000 0.05242 0.13751 = 0.04897 -0.00720 0.00809 -0.03201 AFIX 23 H29A 2 0.543664 0.608568 0.172658 11.00000 -1.20000 H29B 2 0.483101 0.673357 0.124752 11.00000 -1.20000 AFIX 0 C30 1 0.397700 0.651980 0.218124 11.00000 0.08016 0.10970 = 0.07085 -0.00147 0.01902 -0.05067 AFIX 137 H30A 2 0.350603 0.609853 0.199052 11.00000 -1.50000 H30B 2 0.356538 0.701949 0.217268 11.00000 -1.50000 H30C 2 0.418243 0.639180 0.266522 11.00000 -1.50000 AFIX 0 CL1 3 0.514445 0.515873 0.452112 11.00000 0.06286 0.03598 = 0.05664 0.00117 -0.00086 -0.00228 O9 6 0.494937 0.577129 0.407715 11.00000 0.29723 0.06798 = 0.07776 0.03534 -0.04340 -0.03142 O10 6 0.619094 0.488140 0.433328 11.00000 0.09052 0.14730 = 0.15603 -0.01295 0.02865 0.04305 O11 6 0.518675 0.542914 0.521277 11.00000 0.12191 0.20544 = 0.05574 0.00068 0.00160 0.04630 O12 6 0.442516 0.457074 0.443614 11.00000 0.12771 0.10990 = 0.21046 -0.01282 -0.00953 -0.07516 CL2 3 1.057740 0.490096 0.524367 11.00000 0.07120 0.05019 = 0.06893 0.00877 0.00145 0.01189 O13 6 1.097539 0.549141 0.477635 11.00000 0.13421 0.08072 = 0.10448 0.02162 0.00348 -0.00956 O14 6 0.963781 0.512314 0.561608 11.00000 0.16417 0.16106 = 0.10291 0.02015 0.05448 0.07017 O15 6 1.013110 0.430482 0.477067 11.00000 0.11578 0.12344 = 0.14274 0.00980 -0.02821 -0.03453 O16 6 1.144983 0.452031 0.561715 11.00000 0.10516 0.10267 = 0.10494 0.01407 -0.05931 0.00207 HKLF 4 REM REM wR2 = 0.1952, GooF = S = 1.037, Restrained GooF = 1.037 for all data REM R1 = 0.0707 for 4574 Fo > 4sig(Fo) and 0.1014 for all 6873 data REM 493 parameters refined using 0 restraints END WGHT 0.1132 0.0000 REM Highest difference peak 2.086, deepest hole -0.523, 1-sigma level 0.156 Q1 1 0.4830 0.8570 0.1765 11.00000 0.05 2.09 Q2 1 0.5143 0.9194 0.2551 11.00000 0.05 1.62 Q3 1 0.9095 0.5629 0.7419 11.00000 0.05 1.21 Q4 1 1.0053 0.6362 0.6706 11.00000 0.05 0.82 Q5 1 0.7804 0.7777 0.3453 11.00000 0.05 0.74 Q6 1 1.0324 0.6270 0.6811 11.00000 0.05 0.72 Q7 1 0.7809 0.7229 0.1340 11.00000 0.05 0.70 Q8 1 0.7496 0.7270 0.3048 11.00000 0.05 0.66 Q9 1 1.0059 0.4670 0.5528 11.00000 0.05 0.64 Q10 1 0.5149 0.6289 0.2500 11.00000 0.05 0.61 Q11 1 0.7662 0.7793 0.1826 11.00000 0.05 0.60 Q12 1 1.0710 0.4732 0.5208 11.00000 0.05 0.58 Q13 1 0.4195 0.6173 0.2632 11.00000 0.05 0.57 Q14 1 0.9561 0.3620 0.3152 11.00000 0.05 0.54 Q15 1 0.3873 0.5340 0.4380 11.00000 0.05 0.53 Q16 1 1.0701 0.5582 0.5791 11.00000 0.05 0.51 Q17 1 0.5152 0.5216 0.2599 11.00000 0.05 0.50 Q18 1 0.4648 0.5826 0.2476 11.00000 0.05 0.50 Q19 1 0.9791 0.7215 0.5007 11.00000 0.05 0.49 Q20 1 0.7611 0.7989 0.4420 11.00000 0.05 0.48 ; _shelx_res_checksum 15799 _shelx_hkl_file ; 0 0 -1 0.09 0.55 0 0 -1 -0.09 0.18 0 0 -1 0.18 0.37 0 0 1 0.09 0.09 0 0 1 0.00 0.55 0 0 1 -0.09 0.18 0 0 -2 388.01 7.58 0 0 -2 639.13 9.90 0 0 -2 398.37 6.38 0 0 2 382.18 7.49 0 0 2 632.19 9.90 0 0 2 426.49 6.57 0 0 -3 0.18 1.85 0 0 -3 0.46 2.03 0 0 -3 0.00 1.66 0 0 3 1.48 2.03 0 0 3 -0.46 2.13 0 0 3 -0.92 1.57 0 0 -4 1622.70 22.11 0 0 -4 1568.69 17.94 0 0 4 1508.10 21.27 0 0 4 2614.42 28.30 0 0 4 1826.10 19.24 0 0 -5 -1.29 3.70 0 0 -5 -1.11 3.24 0 0 5 2.22 5.18 0 0 5 -2.96 3.24 0 0 -6 1152.65 23.12 0 0 -6 1032.41 18.13 0 0 6 1817.96 29.60 0 0 -7 0.00 4.35 0 0 -7 0.46 3.33 0 0 7 -0.37 4.72 0 0 -8 380.70 16.00 0 0 -8 336.12 12.58 0 0 8 640.42 21.55 0 0 -9 -4.81 4.99 0 0 -9 -0.83 3.88 0 0 9 1.76 6.20 0 0 -10 50.69 9.16 0 0 -10 49.76 7.68 0 0 10 72.88 11.38 0 0 -11 4.90 6.57 0 0 -11 1.11 4.53 0 0 11 6.47 8.05 0 0 -12 458.03 22.57 0 0 -12 417.05 17.48 0 0 12 644.96 26.82 0 0 -13 1.94 8.05 0 0 -13 6.01 6.38 0 0 13 3.05 10.08 0 0 -14 572.07 27.66 0 0 -14 583.08 22.66 0 0 14 878.04 34.87 0 0 -15 3.51 9.34 0 0 -15 2.31 6.84 0 0 15 2.59 10.54 0 0 -16 98.60 16.74 0 0 -16 115.89 14.15 0 0 16 149.28 21.46 0 0 -17 -1.94 9.06 0 0 17 1.94 10.36 0 0 -18 25.53 11.19 0 0 18 39.49 15.45 0 0 -19 4.35 10.27 0 0 19 -4.35 10.45 0 0 -20 6.38 11.38 0 0 20 22.57 14.89 0 0 -21 -3.61 10.27 0 0 21 11.75 13.50 0 0 -22 -1.20 11.75 0 0 22 8.32 13.87 0 -1 0 0.46 0.46 0 -1 0 0.00 0.74 0 -1 0 0.09 0.28 0 1 0 0.09 0.18 0 1 0 0.46 0.65 0 1 0 0.00 0.18 0 1 0 0.00 0.55 0 -1 -1 2.22 1.02 0 -1 -1 -0.18 0.18 0 -1 1 4.62 1.29 0 -1 1 -0.09 0.18 0 1 -1 0.92 0.74 0 1 -1 2.87 1.11 0 1 1 -0.18 0.46 0 1 1 4.44 1.29 0 -1 -2 20.35 2.87 0 -1 -2 26.92 2.77 0 -1 2 24.51 2.13 0 -1 2 28.67 3.05 0 -1 2 28.40 2.96 0 1 -2 23.31 2.22 0 1 -2 34.96 3.14 0 1 -2 27.66 3.05 0 1 2 0.28 0.37 0 1 2 32.93 3.24 0 -1 -3 52.72 5.18 0 -1 -3 83.71 5.92 0 -1 -3 56.33 2.77 0 -1 3 53.00 3.98 0 -1 3 56.42 4.72 0 -1 3 55.77 4.62 0 1 -3 50.69 3.98 0 1 -3 74.18 5.46 0 1 -3 54.02 4.62 0 1 3 50.22 4.53 0 1 3 78.99 5.92 0 1 3 56.05 2.77 0 -1 -4 77.23 6.84 0 -1 -4 76.86 4.25 0 -1 4 72.79 5.73 0 -1 4 107.57 7.95 0 -1 4 85.56 6.47 0 1 -4 76.77 6.01 0 1 -4 77.32 6.38 0 1 4 108.77 7.68 0 1 4 91.38 4.53 0 -1 -5 276.00 12.30 0 -1 -5 255.28 7.68 0 -1 5 396.61 14.15 0 1 -5 268.60 10.64 0 1 -5 256.39 10.45 0 1 5 419.09 14.80 0 1 5 304.86 8.32 0 -1 -6 4.16 4.25 0 -1 -6 6.38 3.05 0 -1 6 9.80 5.55 0 1 -6 7.49 4.16 0 1 -6 4.62 3.98 0 1 6 5.36 4.90 0 1 6 9.71 3.24 0 -1 -7 289.23 13.78 0 -1 -7 269.99 9.53 0 -1 7 436.20 16.93 0 1 -7 301.34 13.13 0 1 -7 277.57 12.12 0 1 7 437.22 16.83 0 1 7 338.90 10.82 0 -1 -8 0.74 4.35 0 -1 -8 1.11 3.14 0 -1 8 4.99 5.92 0 1 -8 1.39 4.44 0 1 -8 2.40 3.98 0 1 8 -1.48 5.64 0 -1 -9 36.35 8.42 0 -1 -9 44.86 6.20 0 -1 9 66.60 9.99 0 1 -9 43.29 8.14 0 1 -9 46.62 7.40 0 1 9 69.74 10.82 0 -1 -10 16.74 7.49 0 -1 -10 16.65 5.18 0 -1 10 14.89 8.23 0 1 -10 11.38 6.66 0 1 -10 11.65 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7.77 0 9 -4 10.64 6.94 0 9 4 19.05 8.23 0 9 4 16.19 5.36 0 -9 -5 2.40 5.92 0 -9 5 6.75 6.47 0 9 -5 1.57 6.57 0 9 5 7.21 7.03 0 9 5 1.48 3.98 0 -9 -6 135.32 13.50 0 -9 6 205.98 15.54 0 9 -6 183.69 16.28 0 9 6 239.65 18.68 0 9 6 165.66 8.97 0 -9 -7 1.48 6.66 0 -9 -7 0.65 3.05 0 -9 7 6.75 7.68 0 9 -7 0.46 7.03 0 9 7 2.40 8.23 0 9 7 4.62 3.33 0 -9 -8 70.11 12.76 0 -9 8 94.25 5.64 0 -9 8 89.72 13.50 0 9 -8 89.72 14.80 0 9 8 131.62 16.00 0 -9 -9 1.39 7.12 0 -9 9 9.06 3.70 0 -9 9 4.81 7.95 0 9 -9 7.95 8.69 0 9 9 12.58 9.43 0 -9 -10 0.65 8.32 0 -9 10 4.62 8.05 0 9 -10 -6.01 7.77 0 9 10 4.25 9.25 0 -9 -11 23.03 10.17 0 -9 11 53.74 13.60 0 9 -11 41.25 13.04 0 9 11 46.89 13.32 0 -9 -12 406.32 27.47 0 -9 12 588.72 30.06 0 9 -12 501.68 30.15 0 9 12 630.62 33.02 0 -9 -13 3.61 8.69 0 -9 13 -2.13 9.80 0 9 -13 -7.49 9.53 0 9 13 -1.29 10.17 0 -9 -14 7.68 10.36 0 -9 14 -3.51 9.16 0 9 -14 -0.92 8.32 0 9 14 -3.61 11.28 0 -9 -15 -3.14 7.68 0 -9 15 7.12 10.73 0 9 -15 -8.51 9.25 0 9 15 14.24 13.13 0 -9 -16 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13.04 12 5 -10 3.70 12.58 12 5 10 1.85 11.01 -12 -5 -11 7.77 11.93 -12 6 0 3.33 11.47 12 -6 0 -6.57 10.36 12 6 0 0.00 10.54 12 6 0 3.70 11.10 -12 6 -1 2.68 10.36 -12 6 1 4.35 11.28 12 -6 -1 -6.57 10.91 12 -6 1 -5.09 10.17 12 6 -1 0.65 10.36 12 6 -1 8.23 11.56 12 6 1 -4.16 8.97 12 6 1 -1.66 9.43 -12 6 -2 -3.51 11.01 -12 6 2 -2.77 9.53 12 -6 -2 -1.02 11.93 12 -6 2 4.16 12.49 12 6 -2 0.65 10.73 12 6 -2 7.86 11.93 12 6 2 -4.62 8.79 12 6 2 -1.29 9.99 -12 6 -3 11.28 13.04 -12 6 3 -2.22 11.38 12 -6 -3 13.04 13.41 12 -6 3 9.06 13.78 12 6 -3 -0.18 10.64 12 6 -3 1.39 11.10 12 6 3 8.14 11.56 12 6 3 14.15 11.28 -12 -6 4 13.23 11.10 -12 6 -4 17.76 13.60 -12 6 4 24.97 14.43 12 -6 -4 1.57 13.23 12 -6 4 0.92 12.30 12 6 -4 10.45 11.84 12 6 -4 2.87 11.38 12 6 4 -2.87 10.17 -12 -6 5 16.00 11.56 -12 6 -5 5.64 11.10 12 -6 -5 2.68 13.60 12 -6 5 2.77 11.38 12 6 -5 5.09 11.75 12 6 -5 -0.18 12.12 12 6 5 -6.84 10.27 -12 -6 -6 8.14 12.21 -12 -6 6 25.25 12.76 -12 6 -6 15.72 13.50 12 -6 -6 6.47 12.95 12 -6 6 18.96 12.76 12 6 -6 24.23 18.68 12 6 -6 18.22 13.78 12 6 6 22.20 12.86 -12 -6 -7 3.51 10.36 -12 -6 7 16.46 12.76 -12 6 -7 8.60 13.13 12 -6 -7 11.56 14.61 12 -6 7 14.15 13.04 12 6 -7 1.48 10.73 12 6 7 3.42 11.19 -12 -6 -8 0.65 11.38 -12 -6 8 3.42 10.27 -12 6 -8 1.76 11.65 12 -6 -8 -15.08 12.12 12 -6 8 -6.01 11.93 12 6 -8 -8.42 10.27 12 6 8 -1.02 11.10 -12 -6 -9 19.33 12.67 -12 -6 9 44.95 15.91 -12 6 -9 12.95 13.50 12 -6 -9 19.15 14.61 12 -6 9 8.32 13.13 12 6 -9 13.50 12.76 12 6 9 30.34 15.26 -12 -6 -10 9.25 11.93 -12 -6 10 10.64 12.76 -12 6 -10 -1.20 11.65 12 -6 -10 4.53 14.71 12 -6 10 -2.59 11.19 12 6 -10 3.61 13.13 12 6 10 2.40 12.02 -12 7 0 -0.55 10.08 12 -7 0 -4.62 12.02 12 7 0 -2.68 10.73 12 7 0 -4.25 10.73 -12 7 -1 34.32 15.63 -12 7 1 17.57 13.87 12 -7 -1 28.58 16.09 12 -7 1 26.64 14.71 12 7 -1 28.21 13.60 12 7 -1 22.20 13.13 12 7 1 27.10 12.76 12 7 1 26.92 12.86 -12 7 -2 38.94 14.52 -12 7 2 31.73 15.35 12 -7 -2 20.16 15.63 12 -7 2 34.41 15.72 12 7 -2 42.92 15.08 12 7 -2 24.05 14.06 12 7 2 34.04 14.06 12 7 2 28.77 13.41 -12 -7 3 -0.55 9.80 -12 7 -3 -1.94 9.43 -12 7 3 14.06 13.41 12 -7 -3 -7.95 12.58 12 -7 3 0.92 12.02 12 7 -3 -1.11 10.82 12 7 -3 0.46 10.82 12 7 3 -6.10 9.71 12 7 3 2.22 10.45 -12 -7 4 29.32 13.04 -12 7 -4 21.37 13.69 -12 7 4 29.78 14.61 12 -7 -4 33.02 17.20 12 -7 4 30.89 16.09 12 7 -4 41.34 22.48 12 7 -4 22.20 12.95 12 7 4 27.38 12.30 12 7 4 19.24 12.86 -12 -7 5 46.52 14.89 -12 7 -5 41.16 16.28 -12 7 5 44.12 16.56 12 -7 -5 32.37 15.72 12 -7 5 37.92 16.93 12 7 -5 40.51 15.26 12 7 5 57.07 15.82 12 7 5 41.34 14.15 -12 -7 -6 -6.10 10.54 -12 -7 6 4.44 11.38 -12 7 -6 8.14 12.86 12 -7 -6 1.76 11.84 12 -7 6 5.46 13.60 12 7 -6 0.28 11.38 12 7 6 7.31 9.62 12 7 6 11.47 11.47 -12 -7 -7 31.54 15.35 -12 -7 7 44.77 15.08 -12 7 -7 26.27 13.60 12 -7 -7 27.10 15.45 12 -7 7 51.80 18.04 12 7 -7 57.99 18.31 12 7 7 27.84 13.13 12 7 7 45.32 14.43 -12 -7 -8 13.50 12.21 -12 -7 8 29.78 14.06 -12 7 -8 13.04 13.60 12 -7 -8 14.06 15.63 12 -7 8 -2.40 11.28 12 7 -8 3.70 13.23 12 7 8 12.12 12.39 -12 -7 -9 21.92 14.80 -12 -7 9 32.00 15.26 -12 7 -9 20.72 14.52 12 -7 -9 1.48 15.45 12 -7 9 35.24 16.46 12 7 -9 24.42 14.15 12 7 9 29.60 13.87 -12 8 0 3.51 12.12 12 -8 0 0.18 13.23 12 8 0 -8.32 9.80 12 8 0 -1.29 10.08 -12 8 -1 1.02 9.90 -12 8 1 3.88 12.49 12 -8 -1 -1.66 13.60 12 -8 1 4.44 11.93 12 8 -1 21.64 12.49 12 8 -1 4.35 11.38 12 8 1 3.42 10.82 12 8 1 12.39 11.84 -12 -8 2 -4.16 9.62 -12 8 -2 -1.85 9.43 -12 8 2 -3.51 10.36 12 -8 -2 -3.70 12.58 12 -8 2 -5.09 12.58 12 8 -2 5.27 11.19 12 8 2 -2.22 9.53 12 8 2 2.68 10.91 -12 -8 3 1.02 10.45 -12 8 -3 3.33 12.02 -12 8 3 4.07 12.21 12 -8 -3 11.56 13.23 12 -8 3 7.77 13.32 12 8 -3 3.98 11.75 12 8 3 3.42 10.73 12 8 3 10.27 11.28 -12 -8 4 7.77 11.01 -12 8 -4 9.25 11.01 -12 8 4 6.84 12.21 12 -8 -4 -1.66 11.56 12 -8 4 -5.46 11.10 12 8 -4 3.51 11.47 12 8 4 0.18 10.17 12 8 4 5.83 11.19 -12 -8 5 14.06 12.30 -12 8 -5 2.03 11.84 -12 8 5 11.19 12.67 12 -8 -5 7.49 13.13 12 -8 5 20.16 15.26 12 8 -5 -0.18 11.01 12 8 5 10.17 11.19 12 8 5 17.11 12.21 -12 -8 -6 46.06 16.19 -12 -8 6 37.55 14.71 -12 8 -6 30.15 15.17 -12 8 6 17.85 13.69 12 -8 -6 44.12 16.65 12 -8 6 35.89 15.45 12 8 -6 11.01 13.69 12 8 6 20.44 13.23 12 8 6 26.64 13.23 -12 -8 -7 -3.79 10.91 -12 -8 7 6.10 11.93 -12 8 -7 9.06 12.49 12 -8 -7 -3.70 12.02 12 -8 7 0.55 12.86 12 8 -7 8.69 13.13 12 8 7 1.20 10.91 -12 -8 -8 0.28 11.47 -12 -8 8 11.84 12.67 -12 8 -8 1.29 12.30 12 -8 -8 12.67 14.15 12 -8 8 11.93 13.87 12 8 -8 0.65 13.04 12 8 8 4.99 10.91 -12 9 0 1.85 12.58 12 -9 0 -1.02 11.56 12 9 0 6.66 11.19 -12 -9 1 23.68 14.80 -12 9 -1 34.69 15.17 -12 9 1 12.49 13.50 12 -9 -1 24.97 15.82 12 -9 1 37.09 17.30 12 9 -1 16.00 12.39 12 9 1 27.29 13.04 12 9 1 17.57 12.95 -12 -9 2 29.78 13.32 -12 9 -2 19.05 13.13 -12 9 2 8.60 12.95 12 -9 -2 8.23 13.60 12 -9 2 11.47 13.23 12 9 -2 26.36 14.24 12 9 2 22.94 12.58 12 9 2 25.81 13.69 -12 -9 3 0.37 10.54 -12 9 -3 20.16 13.41 -12 9 3 8.51 13.04 12 -9 -3 5.18 12.95 12 -9 3 6.01 13.78 12 9 -3 -1.66 11.65 12 9 3 16.74 12.21 12 9 3 6.20 11.47 -12 -9 4 12.76 12.58 -12 9 -4 9.16 13.78 -12 9 4 18.96 13.60 12 -9 -4 -0.65 13.97 12 -9 4 14.61 14.98 12 9 -4 7.03 11.28 12 9 4 9.06 11.38 12 9 4 21.74 13.13 -12 -9 5 14.24 12.02 -12 9 -5 9.62 13.60 -12 9 5 2.03 11.65 12 -9 -5 1.02 14.98 12 -9 5 -1.11 13.50 12 9 -5 19.52 14.15 12 9 5 24.79 13.04 12 9 5 13.78 12.21 -12 -9 -6 22.20 13.32 -12 -9 6 19.70 13.32 -12 9 -6 21.55 15.26 -12 9 6 4.07 12.39 12 -9 -6 6.94 15.45 12 -9 6 18.78 15.26 12 9 -6 22.11 15.63 12 9 6 18.50 12.86 -12 -9 -7 8.05 12.21 12 9 -7 7.58 13.23 -12 -10 0 6.94 17.39 -12 10 0 9.80 11.65 12 -10 0 1.02 12.12 12 10 0 6.57 11.75 -12 -10 1 4.99 11.65 -12 10 -1 -6.75 11.28 -12 10 1 4.72 12.86 12 -10 -1 -3.61 13.69 12 -10 1 2.50 14.15 12 10 -1 1.29 11.19 12 10 -1 7.21 12.67 12 10 1 0.18 11.19 -12 -10 2 -4.53 10.54 -12 10 -2 -0.28 12.86 -12 10 2 6.01 12.86 12 -10 -2 3.51 12.39 12 -10 2 2.68 13.97 12 10 -2 4.35 12.30 12 10 2 -4.99 9.99 -12 -10 3 2.68 11.56 -12 10 -3 9.53 13.23 -12 10 3 6.47 13.04 12 -10 -3 -12.58 12.86 12 -10 3 6.01 13.87 12 10 -3 -1.76 11.75 12 10 3 0.65 13.50 12 10 3 17.30 12.95 -12 -10 4 6.01 11.84 -12 10 -4 9.43 13.41 -12 10 4 -1.76 11.38 12 -10 -4 0.74 14.71 12 -10 4 -6.66 12.95 12 10 -4 1.48 11.28 12 10 4 -0.18 10.54 12 10 4 0.00 11.19 12 10 -5 6.47 13.13 13 0 0 0.55 11.10 13 0 -1 10.17 13.50 13 0 1 11.65 13.78 13 0 -2 25.62 14.52 13 0 2 35.79 14.98 13 0 -3 -16.00 11.19 13 0 3 -3.33 10.73 13 0 -4 2.22 12.95 13 0 4 4.90 13.13 -13 0 -5 24.23 14.24 13 0 -5 18.87 14.52 13 0 5 18.59 13.69 -13 0 -6 1.11 12.21 13 0 -6 1.02 12.49 13 0 6 -1.02 12.39 -13 0 -7 13.97 13.32 13 0 -7 4.90 13.87 13 0 -7 6.94 12.21 13 0 7 12.49 13.87 -13 0 -8 7.31 12.76 13 0 -8 18.78 15.91 13 0 -8 22.11 13.13 13 0 8 16.09 13.04 -13 0 -9 6.38 11.93 13 0 -9 -4.62 13.50 13 0 -9 -10.36 10.27 13 0 9 -10.27 10.27 13 -1 0 0.00 12.58 13 1 0 21.92 15.17 13 -1 -1 -6.20 12.30 13 -1 1 6.01 13.13 13 1 -1 6.94 11.75 13 1 1 -2.31 12.02 13 -1 -2 16.46 12.49 13 -1 2 6.38 12.86 13 1 -2 9.62 13.50 13 1 2 -3.42 12.12 -13 1 -3 -0.65 12.49 13 -1 -3 -8.42 11.38 13 -1 3 -0.37 10.54 13 1 -3 -0.65 12.30 13 1 3 -8.69 11.38 -13 1 -4 7.03 12.39 13 -1 -4 -1.20 12.76 13 -1 4 13.41 13.87 13 1 -4 9.16 13.50 13 1 4 4.25 11.10 -13 1 -5 4.72 12.12 13 -1 -5 -0.46 11.93 13 -1 5 6.84 12.21 13 1 -5 4.44 13.41 13 1 5 -3.05 11.93 -13 1 -6 7.68 12.21 13 -1 -6 -2.59 11.28 13 -1 6 -1.94 11.84 13 1 -6 4.07 13.04 13 1 -6 -3.79 11.10 13 1 6 -6.57 11.01 -13 1 -7 3.14 12.49 13 -1 -7 -9.90 12.02 13 -1 7 11.19 14.15 13 1 -7 -3.33 11.47 13 1 -7 -3.14 11.65 13 1 7 -2.22 9.99 -13 -1 -8 12.67 12.95 -13 1 -8 4.07 12.39 13 -1 -8 14.52 14.61 13 -1 -8 -2.68 11.38 13 -1 8 -8.97 10.17 13 1 -8 -7.40 12.30 13 1 -8 -4.62 10.91 13 1 8 2.59 13.23 -13 -1 -9 0.65 12.21 -13 1 -9 9.90 13.32 13 -1 -9 10.64 15.63 13 -1 -9 14.06 12.58 13 -1 9 21.27 13.87 13 1 -9 4.07 14.80 13 1 -9 27.19 14.80 13 1 9 12.86 13.13 13 -2 0 -1.02 11.75 13 2 0 6.38 12.76 -13 2 -1 21.27 14.52 13 -2 -1 11.01 13.69 13 -2 1 40.51 16.65 13 2 -1 17.76 12.76 13 2 1 17.94 12.86 -13 2 -2 27.47 14.80 13 -2 -2 39.03 16.83 13 -2 2 40.60 16.65 13 2 -2 34.04 14.98 13 2 2 20.63 13.78 -13 2 -3 -2.59 11.47 13 -2 -3 -1.76 11.56 13 -2 3 2.13 11.01 13 2 -3 15.63 13.78 13 2 3 -3.61 10.45 -13 2 -4 8.97 12.58 13 -2 -4 8.23 14.15 13 -2 4 14.24 14.15 13 2 -4 15.17 13.04 13 2 4 6.94 12.95 -13 2 -5 12.30 13.04 13 -2 -5 6.84 13.60 13 -2 5 5.46 13.23 13 2 -5 2.59 12.12 13 2 -5 13.87 12.76 13 2 5 5.09 12.21 -13 2 -6 0.83 12.49 13 -2 -6 -1.76 11.65 13 -2 6 8.05 13.32 13 2 -6 -8.42 11.93 13 2 -6 4.81 12.76 13 2 6 10.27 12.12 -13 2 -7 8.32 12.30 13 -2 -7 6.47 14.89 13 -2 7 6.01 13.41 13 2 -7 8.14 13.78 13 2 -7 5.18 11.10 13 2 7 10.54 13.69 -13 2 -8 10.08 13.04 13 -2 -8 11.56 15.72 13 -2 8 5.55 13.32 13 2 -8 15.35 15.35 13 2 -8 12.02 12.02 13 2 8 5.09 13.04 13 -2 -9 -1.39 13.41 13 -2 -9 4.53 10.45 13 -2 9 9.06 12.49 13 2 -9 1.57 13.87 13 2 -9 4.44 11.65 13 2 9 -3.70 12.86 -13 3 0 11.47 11.28 13 -3 0 13.23 13.13 13 3 0 4.81 12.39 -13 3 -1 5.73 11.93 13 -3 -1 -2.87 11.84 13 -3 1 -9.53 11.65 13 3 -1 -9.80 10.54 13 3 1 -4.90 9.62 -13 3 -2 -6.66 11.19 13 -3 -2 -6.01 12.02 13 -3 2 -7.68 11.84 13 3 -2 -7.40 10.54 13 3 2 -10.54 11.38 -13 3 -3 0.83 10.36 13 -3 -3 -13.97 11.56 13 -3 3 2.77 11.56 13 3 -3 11.56 13.04 13 3 -3 7.58 10.64 13 3 3 5.46 10.54 -13 3 -4 -0.65 12.30 13 -3 -4 -1.11 11.56 13 -3 4 -1.20 12.49 13 3 -4 3.79 12.12 13 3 -4 11.10 12.49 13 3 4 -3.51 11.38 -13 3 -5 -4.90 11.01 13 -3 -5 7.49 14.15 13 -3 5 -2.13 12.49 13 3 -5 -2.31 11.75 13 3 -5 5.09 11.65 13 3 5 0.65 10.73 -13 3 -6 -0.37 11.84 13 -3 -6 -10.08 11.10 13 -3 6 -4.25 12.21 13 3 -6 -3.98 12.58 13 3 -6 6.38 11.93 13 3 6 8.60 13.04 -13 3 -7 7.12 12.67 13 -3 -7 -9.80 13.13 13 -3 7 -6.47 10.08 13 3 -7 9.16 13.69 13 3 -7 -0.37 10.36 13 3 7 9.80 12.02 -13 3 -8 11.28 13.23 13 -3 -8 10.91 14.06 13 -3 8 12.58 14.15 13 3 -8 -2.03 13.23 13 3 -8 -0.18 12.12 13 3 8 -2.68 12.67 -13 4 0 3.05 12.49 13 -4 0 -0.83 12.49 13 4 0 -2.96 10.91 -13 4 -1 37.74 15.63 -13 4 1 28.67 14.80 13 -4 -1 27.93 15.82 13 -4 1 35.15 16.83 13 4 -1 25.90 14.52 13 4 -1 18.41 13.87 13 4 1 35.89 15.54 -13 4 -2 19.70 14.61 13 -4 -2 17.67 14.89 13 -4 2 27.01 15.08 13 4 -2 19.98 14.15 13 4 -2 29.32 14.89 13 4 2 18.41 12.58 -13 4 -3 3.14 12.49 13 -4 -3 -4.44 13.13 13 -4 3 1.29 12.95 13 4 -3 -4.62 10.64 13 4 -3 2.68 12.02 13 4 3 2.50 10.08 -13 4 -4 22.01 12.67 13 -4 -4 31.26 16.93 13 -4 4 19.24 14.34 13 4 -4 19.42 13.87 13 4 -4 20.16 14.24 13 4 4 28.30 14.98 -13 4 -5 5.36 13.04 13 -4 -5 -1.39 12.49 13 -4 5 4.62 11.93 13 4 -5 24.60 14.15 13 4 -5 11.28 11.65 13 4 5 -0.92 10.27 -13 4 -6 8.69 13.04 13 -4 -6 17.30 15.17 13 -4 6 10.82 14.15 13 4 -6 12.58 14.34 13 4 -6 2.87 11.56 13 4 6 9.16 13.13 -13 4 -7 2.22 12.49 13 -4 -7 4.81 14.98 13 -4 7 14.34 14.80 13 4 -7 -0.46 13.32 13 4 -7 12.86 13.13 13 4 7 4.35 11.56 -13 4 -8 13.69 14.06 13 -4 -8 13.41 14.43 13 -4 8 5.36 13.23 13 4 -8 4.07 14.34 13 4 -8 8.23 13.04 13 4 8 -3.33 12.49 -13 5 0 2.22 11.84 13 -5 0 -0.92 13.23 13 5 0 -4.07 11.28 13 5 0 6.94 12.76 -13 5 -1 -3.61 11.38 -13 5 1 5.92 12.86 13 -5 -1 -3.70 12.67 13 -5 1 6.75 12.39 13 5 -1 0.55 11.47 13 5 -1 5.73 11.84 13 5 1 -3.33 12.21 13 5 1 11.84 10.82 -13 5 -2 15.35 13.41 -13 5 2 6.10 12.58 13 -5 -2 1.57 13.23 13 -5 2 2.31 13.23 13 5 -2 12.30 13.41 13 5 -2 11.93 11.38 13 5 2 10.45 12.21 -13 5 -3 5.46 13.23 13 -5 -3 -4.25 12.30 13 -5 3 3.42 12.02 13 5 -3 -6.57 11.38 13 5 -3 14.24 11.75 13 5 3 -1.66 11.28 -13 5 -4 6.20 11.47 13 -5 -4 -3.14 13.60 13 -5 4 11.65 13.69 13 5 -4 7.95 13.41 13 5 -4 12.30 12.21 13 5 4 14.80 13.13 -13 5 -5 8.88 13.23 13 -5 -5 6.75 15.26 13 -5 5 5.09 13.32 13 5 -5 10.64 13.23 13 5 -5 9.71 12.58 13 5 5 22.11 13.32 -13 5 -6 1.57 12.58 13 -5 -6 -4.62 14.15 13 -5 6 16.83 13.50 13 5 -6 10.45 13.32 13 5 -6 21.09 14.89 13 5 6 9.16 11.47 -13 5 -7 -3.33 11.47 13 -5 -7 -2.50 13.04 13 -5 7 -0.09 13.41 13 5 -7 -1.76 12.02 13 5 7 -3.33 10.91 -13 6 0 7.31 12.76 13 -6 0 8.42 12.86 13 6 0 0.00 11.28 13 6 0 19.61 13.60 -13 6 -1 1.66 10.82 -13 6 1 -1.66 12.12 13 -6 -1 -4.53 13.23 13 -6 1 -5.27 12.76 13 6 -1 1.57 11.93 13 6 -1 7.40 11.65 13 6 1 3.33 12.86 13 6 1 7.12 11.93 -13 6 -2 1.20 12.39 -13 6 2 0.55 12.02 13 -6 -2 2.40 14.52 13 -6 2 -4.62 11.01 13 6 -2 5.83 12.67 13 6 -2 12.49 12.95 13 6 2 20.81 12.21 13 6 2 0.00 9.16 -13 6 -3 21.00 13.13 -13 6 3 32.84 13.87 13 -6 -3 21.64 16.00 13 -6 3 8.05 14.24 13 6 -3 14.98 12.67 13 6 -3 17.20 13.78 13 6 3 21.37 12.95 13 6 3 29.51 13.60 -13 6 -4 -5.27 11.10 13 -6 -4 -1.85 14.24 13 -6 4 3.33 13.60 13 6 -4 -9.06 11.47 13 6 -4 -5.92 11.75 13 6 4 -2.22 10.73 13 6 4 5.73 11.10 -13 6 -5 16.19 13.78 13 -6 -5 24.05 16.37 13 -6 5 5.83 13.78 13 6 -5 23.77 15.08 13 6 5 17.48 13.41 -13 6 -6 30.25 16.28 13 -6 -6 9.62 15.72 13 -6 6 25.99 14.98 13 6 -6 10.27 13.13 13 6 6 19.61 14.06 -13 7 0 8.14 13.23 13 -7 0 -4.99 13.04 13 7 0 0.18 11.47 13 7 0 -2.40 10.91 -13 7 -1 -2.87 11.65 -13 7 1 7.40 12.76 13 -7 -1 6.29 12.86 13 -7 1 -0.55 12.58 13 7 -1 10.82 12.86 13 7 -1 4.53 12.30 13 7 1 2.59 12.76 13 7 1 8.51 12.30 -13 7 -2 8.97 13.04 -13 7 2 5.73 12.30 13 -7 -2 -5.64 12.86 13 -7 2 -3.70 12.86 13 7 -2 6.66 12.49 13 7 -2 10.45 13.50 13 7 2 1.48 11.47 13 7 2 19.61 13.60 -13 7 -3 -3.42 12.58 -13 7 3 -3.88 11.93 13 -7 -3 1.02 13.87 13 -7 3 -0.28 13.32 13 7 -3 -8.14 11.10 13 7 3 9.06 12.30 13 7 3 -1.85 11.19 -13 7 -4 14.43 12.86 -13 7 4 12.58 14.15 13 -7 -4 -6.29 13.60 13 -7 4 2.31 14.06 13 7 -4 31.36 14.80 13 7 4 13.50 12.67 13 7 4 18.50 12.76 13 -7 -5 20.81 15.82 13 -7 5 16.65 15.72 13 7 -5 23.12 14.43 13 7 5 4.44 12.49 13 7 5 21.37 12.86 -13 8 0 14.71 14.43 13 -8 0 22.75 16.46 13 8 0 18.04 14.15 13 8 0 11.93 13.50 -13 8 -1 14.15 14.43 -13 8 1 10.54 12.86 13 -8 -1 7.21 14.61 13 -8 1 -0.65 12.21 13 8 -1 1.66 12.67 13 8 1 8.97 12.86 13 8 1 4.90 12.02 -13 8 -2 6.10 13.32 13 -8 -2 5.36 15.08 13 -8 2 -1.02 13.50 13 8 -2 3.24 11.84 13 8 2 -1.02 11.01 13 8 2 23.68 14.34 14 0 0 4.90 13.78 14 0 -1 -14.61 11.75 14 0 1 -5.73 11.28 14 0 -2 5.46 12.58 14 0 2 -4.99 12.49 14 0 -3 22.01 15.45 14 0 3 12.58 13.32 14 0 -4 -2.77 13.78 14 0 4 -4.72 13.78 14 -1 0 17.57 14.06 14 1 0 19.79 15.82 14 -1 -1 -7.12 11.28 14 -1 1 -0.46 13.04 14 1 -1 4.53 14.52 14 1 1 -12.39 12.12 14 -1 -2 0.55 12.30 14 -1 2 3.33 13.41 14 1 -2 7.58 12.02 14 1 2 6.66 12.30 14 -1 -3 11.47 14.71 14 -1 3 21.55 15.63 14 1 -3 21.92 15.82 14 1 3 17.67 15.54 14 -1 -4 2.03 14.43 14 -1 4 0.55 13.32 14 1 -4 -1.39 12.21 14 1 4 -6.01 12.76 14 -2 0 11.47 14.98 14 2 0 3.79 13.32 14 -2 -1 -9.99 12.49 14 -2 1 13.60 13.23 14 2 -1 -4.62 12.21 14 2 1 3.61 14.06 14 -2 -2 -3.88 13.60 14 -2 2 -5.55 13.23 14 2 -2 -6.38 12.95 14 2 2 -1.85 11.47 -14 2 -3 6.20 13.04 14 -2 -3 12.49 15.35 14 -2 3 8.60 13.87 14 2 -3 6.84 14.15 14 2 3 8.97 14.89 14 -3 0 25.62 16.09 14 3 0 16.28 13.13 -14 3 -1 11.19 13.60 14 -3 -1 -3.51 11.56 14 -3 1 -14.71 11.93 14 3 -1 -0.09 12.95 14 3 1 0.46 12.39 -14 3 -2 -3.70 10.36 14 -3 -2 -3.42 12.39 14 -3 2 -6.38 12.76 14 3 -2 -8.05 12.12 14 3 -2 -6.10 9.71 14 3 2 -1.11 11.10 _computing_structure_solution 'SHELXT 2014/4 (Sheldrick, 2014)' ; _shelx_hkl_checksum 15664 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, -y, z+1/2' 'x+1/2, -y+1/2, -z' '-x, 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 Cu1 Cu 0.76347(12) 0.72598(8) 0.18129(7) 0.0300(4) Uani 1 1 d . . . . . Cu2 Cu 0.78308(12) 0.72613(8) 0.34279(7) 0.0299(4) Uani 1 1 d . . . . . O1 O 0.7776(7) 0.7987(4) 0.2612(4) 0.0301(18) Uani 1 1 d . . . . . O2 O 0.8003(7) 0.6554(4) 0.2612(5) 0.0295(19) Uani 1 1 d . . . . . O3 O 0.9063(9) 1.1525(5) 0.1952(6) 0.053(3) Uani 1 1 d . . . . . O4 O 0.9256(9) 1.1525(5) 0.3126(6) 0.053(3) Uani 1 1 d . . . . . H4 H 0.982688 1.180169 0.305752 0.080 Uiso 1 1 calc R U . . . O5 O 0.9571(8) 0.3028(5) 0.3086(5) 0.042(2) Uani 1 1 d . . . . . O6 O 0.9376(8) 0.3018(4) 0.1930(5) 0.044(2) Uani 1 1 d . . . . . H6 H 0.937724 0.252653 0.198783 0.067 Uiso 1 1 calc R U . . . O7 O 0.5732(7) 0.7170(5) 0.2000(5) 0.046(2) Uani 1 1 d . . . . . O8 O 0.5983(7) 0.7122(6) 0.3448(5) 0.056(3) Uani 1 1 d . . . . . H8A H 0.569979 0.672082 0.377544 0.084 Uiso 1 1 d R U . . . H8B H 0.565597 0.691585 0.301312 0.084 Uiso 1 1 d R U . . . N1 N 0.7701(10) 0.6398(6) 0.1125(5) 0.034(3) Uani 1 1 d . . . . . N2 N 0.7571(9) 0.8129(6) 0.1147(5) 0.033(3) Uani 1 1 d . . . . . N3 N 0.7922(9) 0.8133(6) 0.4101(5) 0.032(2) Uani 1 1 d . . . . . N4 N 0.8103(8) 0.6393(5) 0.4086(5) 0.026(2) Uani 1 1 d . . . . . C1 C 0.7335(12) 0.6514(7) 0.0383(6) 0.040(3) Uani 1 1 d . . . . . H1A H 0.759821 0.606348 0.009701 0.048 Uiso 1 1 calc R U . . . H1B H 0.650966 0.652031 0.036457 0.048 Uiso 1 1 calc R U . . . C2 C 0.7770(10) 0.7261(8) 0.0076(6) 0.036(3) Uani 1 1 d . . . . . C3 C 0.7407(13) 0.7250(9) -0.0707(6) 0.058(4) Uani 1 1 d . . . . . H3A H 0.744408 0.670873 -0.088629 0.087 Uiso 1 1 calc R U . . . H3B H 0.790808 0.758800 -0.098051 0.087 Uiso 1 1 calc R U . . . H3C H 0.664078 0.744685 -0.074717 0.087 Uiso 1 1 calc R U . . . C4 C 0.9047(9) 0.7313(10) 0.0122(7) 0.050(4) Uani 1 1 d . . . . . H4A H 0.928504 0.721132 0.060511 0.075 Uiso 1 1 calc R U . . . H4B H 0.929074 0.784132 -0.001974 0.075 Uiso 1 1 calc R U . . . H4C H 0.938160 0.691876 -0.019005 0.075 Uiso 1 1 calc R U . . . C5 C 0.7200(13) 0.7976(7) 0.0407(7) 0.042(3) Uani 1 1 d . . . . . H5A H 0.736137 0.844806 0.011839 0.050 Uiso 1 1 calc R U . . . H5B H 0.638268 0.789144 0.040232 0.050 Uiso 1 1 calc R U . . . C6 C 0.7804(12) 0.8839(7) 0.1297(7) 0.036(3) Uani 1 1 d . . . . . H6A H 0.779975 0.920426 0.091881 0.043 Uiso 1 1 calc R U . . . C7 C 0.8071(10) 0.9148(7) 0.1968(7) 0.035(3) Uani 1 1 d . . . . . C8 C 0.8408(10) 0.9964(7) 0.1949(8) 0.038(3) Uani 1 1 d . . . . . H8 H 0.846758 1.023039 0.151225 0.045 Uiso 1 1 calc R U . . . C9 C 0.8650(10) 1.0366(7) 0.2577(8) 0.037(3) Uani 1 1 d . . . . . C10 C 0.8535(10) 0.9972(7) 0.3210(7) 0.035(3) Uani 1 1 d . . . . . H10 H 0.867315 1.024942 0.363385 0.042 Uiso 1 1 calc R U . . . C11 C 0.8220(10) 0.9176(6) 0.3243(7) 0.033(3) Uani 1 1 d . . . . . C12 C 0.8008(11) 0.8755(7) 0.2602(7) 0.034(3) Uani 1 1 d . . . . . C13 C 0.8986(11) 1.1187(7) 0.2567(9) 0.041(3) Uani 1 1 d . . . . . C14 C 0.8107(10) 0.8845(8) 0.3933(7) 0.033(3) Uani 1 1 d . . . . . H14 H 0.818062 0.920636 0.431082 0.040 Uiso 1 1 calc R U . . . C15 C 0.7751(11) 0.7992(7) 0.4852(6) 0.038(3) Uani 1 1 d . . . . . H15A H 0.694416 0.791438 0.494062 0.045 Uiso 1 1 calc R U . . . H15B H 0.798986 0.846657 0.511588 0.045 Uiso 1 1 calc R U . . . C16 C 0.8387(10) 0.7280(8) 0.5128(6) 0.035(3) Uani 1 1 d . . . . . C17 C 0.9598(10) 0.7360(9) 0.4973(8) 0.050(4) Uani 1 1 d . . . . . H17A H 0.970135 0.745828 0.447064 0.075 Uiso 1 1 calc R U . . . H17B H 0.998554 0.687285 0.510415 0.075 Uiso 1 1 calc R U . . . H17C H 0.990605 0.780299 0.524085 0.075 Uiso 1 1 calc R U . . . C18 C 0.8182(12) 0.7244(9) 0.5925(6) 0.049(3) Uani 1 1 d . . . . . H18A H 0.861198 0.766111 0.615682 0.074 Uiso 1 1 calc R U . . . H18B H 0.841819 0.672849 0.610444 0.074 Uiso 1 1 calc R U . . . H18C H 0.738550 0.731999 0.602066 0.074 Uiso 1 1 calc R U . . . C19 C 0.7909(13) 0.6520(7) 0.4837(7) 0.045(3) Uani 1 1 d . . . . . H19A H 0.823552 0.607186 0.509860 0.054 Uiso 1 1 calc R U . . . H19B H 0.709421 0.651640 0.492267 0.054 Uiso 1 1 calc R U . . . C20 C 0.8412(11) 0.5717(8) 0.3905(7) 0.036(3) Uani 1 1 d . . . . . H20 H 0.855621 0.536296 0.428026 0.043 Uiso 1 1 calc R U . . . C21 C 0.8583(10) 0.5390(6) 0.3204(6) 0.027(3) Uani 1 1 d . . . . . C22 C 0.8921(9) 0.4624(7) 0.3164(7) 0.031(3) Uani 1 1 d . . . . . H22 H 0.910330 0.435579 0.358607 0.037 Uiso 1 1 calc R U . . . C23 C 0.9014(10) 0.4211(6) 0.2524(7) 0.029(3) Uani 1 1 d . . . . . C24 C 0.8756(11) 0.4598(6) 0.1934(7) 0.033(3) Uani 1 1 d . . . . . H24 H 0.884103 0.433451 0.149805 0.039 Uiso 1 1 calc R U . . . C25 C 0.8356(10) 0.5393(7) 0.1938(7) 0.035(3) Uani 1 1 d . . . . . C26 C 0.8311(10) 0.5806(6) 0.2588(7) 0.028(3) Uani 1 1 d . . . . . C27 C 0.9342(10) 0.3357(6) 0.2522(6) 0.030(3) Uani 1 1 d . . . . . C28 C 0.8064(10) 0.5716(7) 0.1250(6) 0.033(3) Uani 1 1 d . . . . . H28 H 0.815860 0.537590 0.085810 0.040 Uiso 1 1 calc R U . . . C29 C 0.5038(13) 0.6598(11) 0.1735(9) 0.080(6) Uani 1 1 d . . . . . H29A H 0.543664 0.608568 0.172658 0.096 Uiso 1 1 calc R U . . . H29B H 0.483101 0.673357 0.124752 0.096 Uiso 1 1 calc R U . . . C30 C 0.3977(15) 0.6520(12) 0.2181(10) 0.087(7) Uani 1 1 d . . . . . H30A H 0.350603 0.609853 0.199052 0.130 Uiso 1 1 calc R U . . . H30B H 0.356538 0.701949 0.217268 0.130 Uiso 1 1 calc R U . . . H30C H 0.418243 0.639180 0.266522 0.130 Uiso 1 1 calc R U . . . Cl1 Cl 0.5144(3) 0.5159(2) 0.4521(2) 0.0518(10) Uani 1 1 d . . . . . O9 O 0.4949(18) 0.5771(7) 0.4077(7) 0.148(8) Uani 1 1 d . . . . . O10 O 0.6191(13) 0.4881(10) 0.4333(9) 0.131(6) Uani 1 1 d . . . . . O11 O 0.5187(13) 0.5429(11) 0.5213(7) 0.128(6) Uani 1 1 d . . . . . O12 O 0.4425(15) 0.4571(10) 0.4436(11) 0.149(7) Uani 1 1 d . . . . . Cl2 Cl 1.0577(4) 0.4901(2) 0.5244(2) 0.0634(12) Uani 1 1 d . . . . . O13 O 1.0975(13) 0.5491(8) 0.4776(8) 0.106(5) Uani 1 1 d . . . . . O14 O 0.9638(16) 0.5123(10) 0.5616(9) 0.143(7) Uani 1 1 d . . . . . O15 O 1.0131(13) 0.4305(9) 0.4771(10) 0.127(6) Uani 1 1 d . . . . . O16 O 1.1450(12) 0.4520(8) 0.5617(7) 0.104(5) Uani 1 1 d . . . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Cu1 0.0384(8) 0.0211(7) 0.0306(7) 0.0000(7) -0.0022(6) -0.0011(7) Cu2 0.0382(8) 0.0215(7) 0.0299(7) -0.0008(7) 0.0013(6) -0.0002(7) O1 0.040(5) 0.019(4) 0.031(4) 0.002(3) 0.008(4) -0.001(3) O2 0.036(5) 0.019(4) 0.033(4) 0.000(4) -0.001(4) 0.006(3) O3 0.077(7) 0.026(5) 0.058(7) 0.010(5) 0.009(6) -0.005(5) O4 0.074(7) 0.027(5) 0.059(7) -0.006(5) 0.000(6) -0.008(5) O5 0.060(6) 0.036(5) 0.029(5) 0.004(4) -0.004(4) -0.006(4) O6 0.079(7) 0.014(4) 0.039(6) 0.002(4) 0.003(5) 0.003(4) O7 0.032(5) 0.046(5) 0.060(6) -0.004(5) 0.003(4) -0.011(4) O8 0.041(5) 0.075(7) 0.052(6) -0.007(6) 0.009(4) -0.007(5) N1 0.044(7) 0.023(5) 0.037(6) 0.002(5) -0.014(5) -0.006(5) N2 0.042(7) 0.031(6) 0.027(5) -0.002(5) -0.002(5) 0.007(5) N3 0.039(6) 0.025(5) 0.034(6) 0.002(5) 0.005(5) 0.006(5) N4 0.034(6) 0.018(5) 0.027(6) -0.003(4) -0.003(5) 0.001(4) C1 0.054(9) 0.037(7) 0.027(7) 0.000(5) -0.009(7) -0.009(7) C2 0.046(7) 0.036(6) 0.027(6) -0.010(6) -0.005(5) -0.003(7) C3 0.078(11) 0.068(9) 0.027(7) 0.005(8) -0.017(6) 0.018(10) C4 0.034(7) 0.073(9) 0.044(8) -0.006(9) 0.003(6) -0.020(8) C5 0.060(9) 0.027(7) 0.038(8) 0.004(5) -0.017(7) 0.001(6) C6 0.042(8) 0.022(7) 0.042(8) 0.003(6) 0.006(7) -0.004(6) C7 0.032(7) 0.027(7) 0.045(9) 0.008(6) -0.002(6) 0.008(5) C8 0.033(7) 0.026(7) 0.054(9) 0.005(7) 0.008(6) 0.008(5) C9 0.031(7) 0.025(6) 0.055(9) -0.002(7) 0.004(6) 0.001(5) C10 0.039(7) 0.033(7) 0.034(8) -0.007(6) -0.001(6) 0.008(6) C11 0.035(7) 0.012(6) 0.050(9) -0.002(6) 0.000(6) 0.005(5) C12 0.038(8) 0.027(6) 0.037(7) -0.004(6) 0.005(6) 0.003(5) C13 0.044(8) 0.018(6) 0.060(10) -0.003(7) -0.001(7) 0.001(5) C14 0.031(8) 0.032(7) 0.036(8) -0.010(6) 0.005(6) 0.007(6) C15 0.043(8) 0.037(7) 0.033(7) -0.001(5) 0.009(7) -0.005(6) C16 0.044(7) 0.031(6) 0.029(6) -0.008(7) 0.004(5) -0.003(7) C17 0.051(8) 0.051(8) 0.049(8) -0.007(8) -0.006(7) 0.012(7) C18 0.071(10) 0.039(7) 0.038(7) -0.001(7) 0.004(7) -0.010(8) C19 0.059(9) 0.041(8) 0.034(7) 0.010(6) 0.010(7) -0.004(7) C20 0.041(8) 0.032(8) 0.035(8) 0.008(6) 0.000(6) -0.007(6) C21 0.034(7) 0.022(6) 0.025(6) 0.000(6) 0.003(6) -0.005(5) C22 0.032(7) 0.032(7) 0.029(7) -0.005(6) 0.004(6) 0.000(5) C23 0.038(7) 0.023(6) 0.028(8) -0.015(6) 0.000(6) 0.004(5) C24 0.048(8) 0.018(6) 0.032(7) -0.002(6) -0.002(6) -0.004(5) C25 0.039(8) 0.031(7) 0.035(8) 0.002(6) 0.005(6) 0.006(6) C26 0.038(7) 0.015(5) 0.032(7) -0.007(6) -0.003(6) -0.002(5) C27 0.037(7) 0.027(6) 0.027(8) 0.006(6) 0.007(6) -0.006(5) C28 0.041(8) 0.031(7) 0.027(7) -0.008(6) -0.004(6) -0.007(6) C29 0.052(10) 0.138(16) 0.049(10) -0.007(11) 0.008(8) -0.032(11) C30 0.080(14) 0.110(15) 0.071(14) -0.001(11) 0.019(10) -0.051(12) Cl1 0.063(2) 0.0360(19) 0.057(2) 0.0012(18) -0.001(2) -0.0023(18) O9 0.30(3) 0.068(9) 0.078(10) 0.035(8) -0.043(13) -0.031(13) O10 0.091(12) 0.147(14) 0.156(16) -0.013(13) 0.029(11) 0.043(10) O11 0.122(13) 0.205(17) 0.056(9) 0.001(11) 0.002(8) 0.046(13) O12 0.128(14) 0.110(12) 0.21(2) -0.013(14) -0.010(14) -0.075(11) Cl2 0.071(3) 0.050(2) 0.069(3) 0.009(2) 0.001(2) 0.012(2) O13 0.134(13) 0.081(9) 0.104(11) 0.022(9) 0.003(10) -0.010(9) O14 0.164(17) 0.161(15) 0.103(12) 0.020(11) 0.054(12) 0.070(13) O15 0.116(12) 0.123(13) 0.143(14) 0.010(12) -0.028(11) -0.035(11) O16 0.105(11) 0.103(10) 0.105(11) 0.014(9) -0.059(9) 0.002(9) 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' Cu Cu 0.3201 1.2651 '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' 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 N2 Cu1 N1 97.4(4) . . ? N2 Cu1 O1 92.0(3) . . ? N1 Cu1 O1 168.4(4) . . ? N2 Cu1 O2 164.7(4) . . ? N1 Cu1 O2 93.2(3) . . ? O1 Cu1 O2 76.3(3) . . ? N2 Cu1 O7 96.4(4) . . ? N1 Cu1 O7 95.4(4) . . ? O1 Cu1 O7 90.4(3) . . ? O2 Cu1 O7 93.5(3) . . ? N3 Cu2 N4 97.8(4) . . ? N3 Cu2 O2 165.4(4) . . ? N4 Cu2 O2 91.9(4) . . ? N3 Cu2 O1 92.8(3) . . ? N4 Cu2 O1 166.5(4) . . ? O2 Cu2 O1 76.2(3) . . ? N3 Cu2 O8 97.1(4) . . ? N4 Cu2 O8 94.3(4) . . ? O2 Cu2 O8 93.1(3) . . ? O1 Cu2 O8 92.7(4) . . ? C12 O1 Cu1 128.2(8) . . ? C12 O1 Cu2 127.6(8) . . ? Cu1 O1 Cu2 102.9(3) . . ? C26 O2 Cu2 129.7(8) . . ? C26 O2 Cu1 127.8(8) . . ? Cu2 O2 Cu1 102.5(3) . . ? C29 O7 Cu1 125.9(9) . . ? C28 N1 C1 113.6(10) . . ? C28 N1 Cu1 124.8(9) . . ? C1 N1 Cu1 121.5(8) . . ? C6 N2 C5 116.1(10) . . ? C6 N2 Cu1 124.2(9) . . ? C5 N2 Cu1 119.6(8) . . ? C14 N3 C15 115.2(11) . . ? C14 N3 Cu2 124.1(9) . . ? C15 N3 Cu2 120.7(8) . . ? C20 N4 C19 116.8(11) . . ? C20 N4 Cu2 124.0(9) . . ? C19 N4 Cu2 119.2(8) . . ? C2 C1 N1 112.5(10) . . ? C1 C2 C5 110.8(10) . . ? C1 C2 C4 112.1(12) . . ? C5 C2 C4 112.1(11) . . ? C1 C2 C3 105.7(11) . . ? C5 C2 C3 106.3(10) . . ? C4 C2 C3 109.5(10) . . ? N2 C5 C2 113.1(10) . . ? N2 C6 C7 127.0(12) . . ? C12 C7 C6 126.9(11) . . ? C12 C7 C8 120.0(13) . . ? C6 C7 C8 113.1(12) . . ? C9 C8 C7 120.0(13) . . ? C10 C9 C8 119.1(10) . . ? C10 C9 C13 120.2(13) . . ? C8 C9 C13 120.7(13) . . ? C9 C10 C11 122.0(12) . . ? C10 C11 C14 116.2(12) . . ? C10 C11 C12 119.1(12) . . ? C14 C11 C12 124.7(11) . . ? O1 C12 C7 119.6(11) . . ? O1 C12 C11 120.6(11) . . ? C7 C12 C11 119.7(10) . . ? O4 C13 O3 123.0(11) . . ? O4 C13 C9 119.9(14) . . ? O3 C13 C9 116.9(13) . . ? N3 C14 C11 128.3(12) . . ? N3 C15 C16 113.4(10) . . ? C17 C16 C19 111.9(11) . . ? C17 C16 C15 110.3(11) . . ? C19 C16 C15 111.0(10) . . ? C17 C16 C18 110.8(11) . . ? C19 C16 C18 105.6(11) . . ? C15 C16 C18 107.0(11) . . ? N4 C19 C16 115.1(10) . . ? N4 C20 C21 129.9(12) . . ? C22 C21 C26 119.9(11) . . ? C22 C21 C20 117.1(11) . . ? C26 C21 C20 122.7(10) . . ? C21 C22 C23 123.0(12) . . ? C24 C23 C22 117.8(10) . . ? C24 C23 C27 122.0(10) . . ? C22 C23 C27 120.1(11) . . ? C23 C24 C25 122.3(12) . . ? C26 C25 C24 118.7(11) . . ? C26 C25 C28 126.0(11) . . ? C24 C25 C28 115.3(12) . . ? O2 C26 C21 121.1(11) . . ? O2 C26 C25 120.8(11) . . ? C21 C26 C25 118.1(9) . . ? O5 C27 O6 124.1(11) . . ? O5 C27 C23 119.2(11) . . ? O6 C27 C23 116.7(10) . . ? N1 C28 C25 126.5(12) . . ? O7 C29 C30 111.0(14) . . ? O12 Cl1 O9 112.7(12) . . ? O12 Cl1 O10 107.5(11) . . ? O9 Cl1 O10 104.7(12) . . ? O12 Cl1 O11 112.6(12) . . ? O9 Cl1 O11 110.1(10) . . ? O10 Cl1 O11 108.8(10) . . ? O14 Cl2 O16 117.7(10) . . ? O14 Cl2 O13 113.8(9) . . ? O16 Cl2 O13 112.8(10) . . ? O14 Cl2 O15 102.0(12) . . ? O16 Cl2 O15 105.4(9) . . ? O13 Cl2 O15 102.9(10) . . ? 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 Cu1 N2 1.946(9) . ? Cu1 N1 1.964(10) . ? Cu1 O1 1.968(8) . ? Cu1 O2 1.987(8) . ? Cu1 O7 2.312(8) . ? Cu2 N3 1.961(10) . ? Cu2 N4 1.962(10) . ? Cu2 O2 1.976(8) . ? Cu2 O1 1.985(7) . ? Cu2 O8 2.227(9) . ? O1 C12 1.331(13) . ? O2 C26 1.320(12) . ? O3 C13 1.309(18) . ? O4 C13 1.252(17) . ? O5 C27 1.243(14) . ? O6 C27 1.267(14) . ? O7 C29 1.374(17) . ? N1 C28 1.258(15) . ? N1 C1 1.496(16) . ? N2 C6 1.268(14) . ? N2 C5 1.504(15) . ? N3 C14 1.269(15) . ? N3 C15 1.468(15) . ? N4 C20 1.252(15) . ? N4 C19 1.467(16) . ? C1 C2 1.488(17) . ? C2 C5 1.527(17) . ? C2 C4 1.535(17) . ? C2 C3 1.556(15) . ? C6 C7 1.420(18) . ? C7 C12 1.382(18) . ? C7 C8 1.441(16) . ? C8 C9 1.410(18) . ? C9 C10 1.387(17) . ? C9 C13 1.448(16) . ? C10 C11 1.402(15) . ? C11 C14 1.437(18) . ? C11 C12 1.437(17) . ? C15 C16 1.522(17) . ? C16 C17 1.488(17) . ? C16 C19 1.514(18) . ? C16 C18 1.541(16) . ? C20 C21 1.462(17) . ? C21 C22 1.360(15) . ? C21 C26 1.411(16) . ? C22 C23 1.412(16) . ? C23 C24 1.339(17) . ? C23 C27 1.499(15) . ? C24 C25 1.431(16) . ? C25 C26 1.424(17) . ? C25 C28 1.465(18) . ? C29 C30 1.54(2) . ? Cl1 O12 1.327(14) . ? Cl1 O9 1.360(13) . ? Cl1 O10 1.386(15) . ? Cl1 O11 1.398(15) . ? Cl2 O14 1.383(15) . ? Cl2 O16 1.420(13) . ? Cl2 O13 1.422(14) . ? Cl2 O15 1.456(16) . ?