#------------------------------------------------------------------------------ #$Date: 2024-11-06 04:16:55 +0200 (Wed, 06 Nov 2024) $ #$Revision: 295790 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/24/95/7249551.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_7249551 loop_ _publ_author_name 'Liu, Ching-Ping' 'Lin, Ting-En' 'Chiang, Jung-Chang' 'Chen, Bo-Jhen' 'Chien, Po-Hsiu' 'Chien, Su-Ying' 'Lee, Gene-Hsiang' 'Liu, Yen-Hsiang' 'Lu, Kuang-Lieh' _publ_section_title ; An exceptional water stable terbium-based metal--organic framework for selective detection of pesticides ; _journal_issue 47 _journal_name_full 'RSC Advances' _journal_page_first 35220 _journal_page_last 35226 _journal_paper_doi 10.1039/D4RA06622G _journal_volume 14 _journal_year 2024 _chemical_formula_sum 'C34 H36 N2 O15 Tb2' _chemical_formula_weight 1030.49 _space_group_crystal_system monoclinic _space_group_IT_number 15 _space_group_name_Hall '-C 2yc' _space_group_name_H-M_alt 'C 1 2/c 1' _atom_sites_solution_hydrogens mixed _audit_creation_method SHELXL-2019/1 _audit_update_record ; 2024-08-20 deposited with the CCDC. 2024-10-25 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 109.0656(12) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 17.9401(7) _cell_length_b 11.5274(5) _cell_length_c 18.6602(7) _cell_measurement_reflns_used 9888 _cell_measurement_temperature 150(2) _cell_measurement_theta_max 29.83 _cell_measurement_theta_min 2.23 _cell_volume 3647.3(3) _computing_cell_refinement 'SAINT V8.40B (Bruker AXS LLC, 2019)' _computing_data_collection 'Bruker Instrument Service vV6.2.16' _computing_data_reduction 'SAINT V8.40B (Bruker AXS LLC, 2019)' _computing_molecular_graphics 'Bruker APEX4' _computing_publication_material 'Bruker APEX4' _computing_structure_refinement 'SHELXL-2019/1 (Sheldrick, 2019)' _computing_structure_solution 'SHELXT (Sheldrick 2015)' _diffrn_ambient_temperature 150(2) _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.999 _diffrn_measurement_device_type 'Bruker D8 VENTURE' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0574 _diffrn_reflns_av_unetI/netI 0.0309 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.999 _diffrn_reflns_limit_h_max 25 _diffrn_reflns_limit_h_min -25 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_k_min -16 _diffrn_reflns_limit_l_max 26 _diffrn_reflns_limit_l_min -26 _diffrn_reflns_number 46223 _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 30.000 _diffrn_reflns_theta_min 2.136 _exptl_absorpt_coefficient_mu 3.920 _exptl_absorpt_correction_T_max 0.6042 _exptl_absorpt_correction_T_min 0.5451 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; Krause, L., Herbst-Irmer, R., Sheldrick, G. M., Stalke, D. (2015). "Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination" J. Appl. Cryst. 48, 3-10. doi:10.1107/S1600576714022985 ; _exptl_crystal_colour colourless _exptl_crystal_density_diffrn 1.877 _exptl_crystal_description prism _exptl_crystal_F_000 2016 _exptl_crystal_size_max 0.153 _exptl_crystal_size_mid 0.127 _exptl_crystal_size_min 0.094 _refine_diff_density_max 2.370 _refine_diff_density_min -2.048 _refine_diff_density_rms 0.348 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.279 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 264 _refine_ls_number_reflns 5309 _refine_ls_number_restraints 83 _refine_ls_restrained_S_all 1.429 _refine_ls_R_factor_all 0.0347 _refine_ls_R_factor_gt 0.0307 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0231P)^2^+16.5478P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0711 _refine_ls_wR_factor_ref 0.0738 _reflns_Friedel_coverage 0.000 _reflns_number_gt 4908 _reflns_number_total 5309 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d4ra06622g2.cif _cod_data_source_block ic22483 _cod_original_sg_symbol_H-M 'C 2/c' _cod_database_code 7249551 _shelx_shelxl_version_number 2019/1 _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 0.585 _shelx_estimated_absorpt_t_max 0.710 _shelx_res_file ; TITL ic22483 in C2/c ic22483.res created by SHELXL-2019/1 at 17:43:06 on 18-Jan-2024 CELL 0.71073 17.94010 11.52740 18.66020 90.0000 109.0656 90.0000 ZERR 4.00 0.00070 0.00050 0.00070 0.0000 0.0012 0.0000 LATT 7 SYMM -X, Y, 1/2-Z SFAC C H N O Tb UNIT 136 144 8 60 8 OMIT 0 0 2 OMIT 2 0 0 OMIT -3 60 L.S. 10 ACTA BOND FMAP 2 PLAN 20 SIZE 0.094 0.127 0.153 EADP C14 C14' EADP C15 C15' EADP C16 C16' EADP C17 C17' DFIX 0.90 0.001 O8 H8A DFIX 0.90 0.001 O8 H8B DFIX 1.45 0.01 H8A H8B DFIX 2.30 0.01 H8B O3_$1 EQIV $1 1.5-x, -0.5+y, 0.5-z DFIX 2.40 0.01 H8A O1 ISOR 0.005 C13 N1 O5 O6 O8 ISOR 0.001 O3 O4 O5 ISOR 0.001 C3 C4 C8 C9 C10 C11 TEMP -123.150 WGHT 0.023100 16.547800 FVAR 0.04914 0.55176 0.50000 TB1 5 0.498234 0.559313 0.397413 11.00000 0.00694 0.00988 = 0.00731 -0.00037 0.00203 0.00017 O1 4 0.586871 0.513603 0.339462 11.00000 0.01151 0.01997 = 0.01069 0.00320 0.00479 0.00143 O2 4 0.589312 0.558372 0.224357 11.00000 0.01231 0.03785 = 0.00873 0.00057 0.00164 -0.00513 O3 4 0.925333 0.890874 0.386208 11.00000 0.04771 0.04221 = 0.03548 0.00244 0.01017 -0.02433 O4 4 0.930904 0.825728 0.500704 11.00000 0.02857 0.02403 = 0.01931 0.00069 0.00450 -0.00786 O5 4 0.578668 0.435002 0.491240 11.00000 0.02413 0.02706 = 0.02978 0.00824 0.01254 0.00747 O6 4 0.605697 0.323014 0.592125 11.00000 0.01970 0.02412 = 0.02083 0.00702 0.01294 0.00896 O7 4 0.526232 0.742318 0.349083 11.00000 0.02805 0.01769 = 0.01746 0.00324 0.00893 -0.00282 C1 1 0.694805 0.622642 0.329157 11.00000 0.01390 0.01365 = 0.01306 -0.00108 0.00265 -0.00018 C2 1 0.729774 0.681021 0.282771 11.00000 0.02661 0.02899 = 0.00654 -0.00168 0.00152 -0.00903 AFIX 43 H2 2 0.706912 0.676723 0.229188 11.00000 -1.20000 AFIX 0 C3 1 0.797907 0.745282 0.314982 11.00000 0.02812 0.02656 = 0.02280 0.00192 0.00754 -0.00647 AFIX 43 H3 2 0.821237 0.785833 0.283387 11.00000 -1.20000 AFIX 0 C4 1 0.832161 0.750541 0.393343 11.00000 0.02629 0.02376 = 0.02167 0.00081 0.00573 -0.00612 C5 1 0.798489 0.689842 0.439504 11.00000 0.03085 0.02340 = 0.00981 0.00047 0.00066 -0.01142 AFIX 43 H5A 2 0.822422 0.692065 0.493031 11.00000 -1.20000 AFIX 0 C6 1 0.730157 0.626184 0.407598 11.00000 0.02202 0.01846 = 0.01101 0.00166 0.00316 -0.00516 AFIX 43 H6 2 0.707352 0.584842 0.439298 11.00000 -1.20000 AFIX 0 C7 1 0.617945 0.561495 0.294031 11.00000 0.00932 0.01814 = 0.01022 0.00015 0.00360 0.00472 C8 1 0.901507 0.828113 0.429474 11.00000 0.03274 0.02907 = 0.02658 0.00157 0.00719 -0.00794 C9 1 0.687305 0.301819 0.515788 11.00000 0.01951 0.02084 = 0.02177 0.00323 0.00952 0.00346 C10 1 0.698033 0.322153 0.446165 11.00000 0.02199 0.02315 = 0.02275 0.00452 0.00928 0.00383 AFIX 43 H10 2 0.662725 0.371179 0.409674 11.00000 -1.20000 AFIX 0 C11 1 0.739179 0.229962 0.569264 11.00000 0.02356 0.02437 = 0.02301 0.00389 0.01040 0.00369 AFIX 43 H11 2 0.731503 0.216569 0.616601 11.00000 -1.20000 AFIX 0 C12 1 0.619388 0.356647 0.533785 11.00000 0.01693 0.02107 = 0.02718 0.00796 0.01356 0.00889 N1 3 0.556132 0.933260 0.367082 11.00000 0.04699 0.01845 = 0.04721 0.00221 0.02717 0.00126 C13 1 0.518343 0.838020 0.372569 11.00000 0.05206 0.02293 = 0.06632 0.00867 0.04180 0.00733 AFIX 43 H13 2 0.480401 0.844830 0.397877 11.00000 -1.20000 AFIX 0 PART 1 C14 1 0.599701 0.938825 0.313050 21.00000 0.03533 0.02488 = 0.04190 0.00379 0.01690 -0.00552 AFIX 23 H14A 2 0.574482 0.997807 0.274114 21.00000 -1.20000 H14B 2 0.594764 0.862969 0.287030 21.00000 -1.20000 AFIX 0 C15 1 0.685243 0.967518 0.346619 21.00000 0.05016 0.06806 = 0.07956 0.02537 0.02525 -0.00574 AFIX 33 H15A 2 0.709330 0.969285 0.306456 21.00000 -1.50000 H15B 2 0.691111 1.043628 0.371246 21.00000 -1.50000 H15C 2 0.711441 0.908476 0.384192 21.00000 -1.50000 AFIX 0 C16 1 0.522290 1.043176 0.382702 21.00000 0.03608 0.01641 = 0.06079 -0.00688 0.01654 -0.00248 AFIX 23 H16A 2 0.465993 1.032438 0.377424 21.00000 -1.20000 H16B 2 0.526165 1.103724 0.346458 21.00000 -1.20000 AFIX 0 C17 1 0.568098 1.078522 0.462015 21.00000 0.05721 0.03900 = 0.09908 -0.03993 0.00131 0.00042 AFIX 33 H17A 2 0.546935 1.151568 0.474135 21.00000 -1.50000 H17B 2 0.563722 1.018079 0.497359 21.00000 -1.50000 H17C 2 0.623651 1.089076 0.466519 21.00000 -1.50000 AFIX 0 PART 2 C14' 1 0.632393 0.924218 0.358572 -21.00000 0.03533 0.02488 = 0.04190 0.00379 0.01690 -0.00552 AFIX 23 H14C 2 0.640502 0.843009 0.345508 -21.00000 -1.20000 H14D 2 0.672862 0.941900 0.407931 -21.00000 -1.20000 AFIX 0 C15' 1 0.644926 1.001559 0.300250 -21.00000 0.05016 0.06806 = 0.07956 0.02537 0.02525 -0.00574 AFIX 33 H15D 2 0.698266 0.989991 0.298085 -21.00000 -1.50000 H15E 2 0.606195 0.983417 0.250751 -21.00000 -1.50000 H15F 2 0.638615 1.082492 0.313290 -21.00000 -1.50000 AFIX 0 C16' 1 0.566734 1.038948 0.420679 -21.00000 0.03608 0.01641 = 0.06079 -0.00688 0.01654 -0.00248 AFIX 23 H16C 2 0.555752 1.016406 0.467442 -21.00000 -1.20000 H16D 2 0.621523 1.068266 0.435034 -21.00000 -1.20000 AFIX 0 C17' 1 0.510001 1.130891 0.379092 -21.00000 0.05721 0.03900 = 0.09908 -0.03993 0.00131 0.00042 AFIX 33 H17D 2 0.515384 1.199113 0.411736 -21.00000 -1.50000 H17E 2 0.521513 1.152673 0.333032 -21.00000 -1.50000 H17F 2 0.456003 1.101019 0.365311 -21.00000 -1.50000 AFIX 0 PART -1 O8 4 0.523445 0.275440 0.246242 10.50000 0.12797 0.10320 = 0.10580 -0.00916 0.03690 0.01205 H8B 2 0.537152 0.297881 0.206055 10.50000 -1.50000 H8A 2 0.544775 0.326876 0.283622 10.50000 -1.50000 PART 0 HKLF 4 REM ic22483 in C2/c REM wR2 = 0.0738, GooF = S = 1.279, Restrained GooF = 1.429 for all data REM R1 = 0.0307 for 4908 Fo > 4sig(Fo) and 0.0347 for all 5309 data REM 264 parameters refined using 83 restraints END WGHT 0.0233 38.9327 REM Highest difference peak 2.370, deepest hole -2.048, 1-sigma level 0.348 Q1 1 0.9025 0.9199 0.3869 11.00000 0.05 2.37 Q2 1 0.9457 0.8647 0.3845 11.00000 0.05 1.94 Q3 1 0.8803 0.8548 0.4279 11.00000 0.05 1.56 Q4 1 0.9226 0.8057 0.4283 11.00000 0.05 1.38 Q5 1 0.8509 0.7222 0.3909 11.00000 0.05 1.36 Q6 1 0.5922 0.4603 0.5114 11.00000 0.05 1.26 Q7 1 0.9036 0.8456 0.4987 11.00000 0.05 1.25 Q8 1 0.8195 0.7165 0.3151 11.00000 0.05 1.22 Q9 1 0.7754 0.7722 0.3120 11.00000 0.05 1.18 Q10 1 0.8115 0.7782 0.3934 11.00000 0.05 1.11 Q11 1 0.9527 0.8043 0.5017 11.00000 0.05 1.05 Q12 1 0.5638 0.4048 0.4701 11.00000 0.05 1.05 Q13 1 0.5930 0.9809 0.4979 11.00000 0.05 1.01 Q14 1 0.6821 0.2909 0.4298 11.00000 0.05 1.00 Q15 1 0.5829 0.9338 0.3999 11.00000 0.05 0.98 Q16 1 0.6091 0.9667 0.2026 11.00000 0.05 0.90 Q17 1 0.6719 0.2820 0.4948 11.00000 0.05 0.87 Q18 1 0.5400 1.0144 0.4402 11.00000 0.05 0.87 Q19 1 0.5429 1.0591 0.2288 11.00000 0.05 0.86 Q20 1 0.6178 1.0419 0.4995 11.00000 0.05 0.86 ; _shelx_res_checksum 89846 _shelx_hkl_file ; -2 0 0 56.98 3.33 4 0 0 203.07 10.59 -6 0 0 129.28 6.45 -6 0 0 126.20 6.29 -6 0 0 132.29 6.52 -6 0 0 127.38 6.41 -6 0 0 130.34 6.08 6 0 0 138.04 6.54 6 0 0 133.23 6.10 6 0 0 126.91 6.38 6 0 0 120.10 6.19 -8 0 0 202.84 9.65 -8 0 0 189.51 9.13 -8 0 0 202.04 9.69 -8 0 0 201.82 9.51 -8 0 0 202.03 9.77 8 0 0 191.36 9.57 8 0 0 198.16 9.35 8 0 0 194.59 9.13 8 0 0 189.05 9.65 -10 0 0 624.18 28.17 -12 0 0 274.82 14.41 -12 0 0 323.96 15.18 -12 0 0 337.10 15.46 -12 0 0 330.69 15.58 12 0 0 306.59 15.40 12 0 0 318.57 14.57 12 0 0 316.54 15.33 12 0 0 314.19 14.82 -14 0 0 191.22 9.48 -14 0 0 193.47 10.52 -14 0 0 191.56 10.37 -14 0 0 188.70 10.13 14 0 0 181.91 9.67 14 0 0 190.16 10.30 14 0 0 192.43 9.46 14 0 0 188.83 10.42 -16 0 0 164.79 9.77 -16 0 0 172.49 10.09 -16 0 0 193.92 10.53 -16 0 0 160.31 8.98 16 0 0 183.74 10.31 16 0 0 179.55 9.10 16 0 0 193.79 10.28 -18 0 0 100.35 6.74 -18 0 0 99.24 7.04 18 0 0 113.64 7.28 18 0 0 93.15 6.68 18 0 0 91.27 5.72 -20 0 0 107.86 7.35 -20 0 0 106.99 7.68 20 0 0 93.28 7.10 -22 0 0 86.71 6.72 -22 0 0 83.70 6.88 22 0 0 80.62 6.57 23 -1 0 80.01 6.58 -23 1 0 69.19 6.36 -23 1 0 72.82 6.30 21 -1 0 91.26 6.97 -21 1 0 85.26 6.93 -21 1 0 97.72 7.05 19 -1 0 91.30 6.43 -19 1 0 78.21 6.02 -19 1 0 79.04 6.22 17 -1 0 119.60 7.43 17 -1 0 104.01 6.25 17 -1 0 115.89 7.54 -17 1 0 102.95 7.18 -17 1 0 107.36 7.04 15 -1 0 137.22 8.43 15 -1 0 130.44 8.13 15 -1 0 151.46 8.42 15 -1 0 135.54 7.41 -15 1 0 138.60 8.08 -15 1 0 138.84 8.37 -15 1 0 144.71 8.41 13 -1 0 227.07 11.82 13 -1 0 236.62 11.13 13 -1 0 225.87 12.02 13 -1 0 221.21 11.32 -13 1 0 229.95 11.12 -13 1 0 222.42 11.62 -13 1 0 227.11 11.89 -13 1 0 236.47 12.00 11 -1 0 377.20 17.58 11 -1 0 383.95 17.35 11 -1 0 384.59 18.02 11 -1 0 389.61 18.22 -11 1 0 403.73 18.17 -11 1 0 378.92 18.03 -11 1 0 373.47 17.77 -11 1 0 329.53 17.19 -11 1 0 405.60 18.22 -9 1 0 435.52 20.38 -9 1 0 472.89 21.13 -9 1 0 465.90 21.01 7 -1 0 134.82 7.04 7 -1 0 135.90 6.95 7 -1 0 136.94 6.58 7 -1 0 134.45 6.74 -7 1 0 134.06 6.94 -7 1 0 142.09 6.99 -7 1 0 137.88 7.04 -7 1 0 135.07 6.58 -7 1 0 136.69 6.81 5 -1 0 129.57 6.26 5 -1 0 123.37 6.22 5 -1 0 125.89 6.32 5 -1 0 128.39 5.98 5 -1 0 123.92 6.08 -5 1 0 126.61 6.32 -5 1 0 126.21 6.23 -5 1 0 124.42 6.11 -5 1 0 133.46 6.25 3 -1 0 250.22 12.13 -3 1 0 231.99 11.98 -1 1 0 356.24 16.16 -1 -1 0 -0.01 0.02 -1 -1 0 -0.02 0.01 -3 -1 0 250.55 12.23 -5 -1 0 130.04 6.12 -5 -1 0 127.54 6.06 -5 -1 0 125.68 6.14 5 1 0 127.48 5.87 5 1 0 124.13 5.97 5 1 0 125.61 6.14 -7 -1 0 127.35 6.30 -7 -1 0 132.66 6.68 -7 -1 0 137.57 6.63 -7 -1 0 123.67 6.65 7 1 0 131.91 6.31 7 1 0 140.71 6.77 7 1 0 139.34 6.73 7 1 0 133.39 6.46 -9 -1 0 440.63 20.17 -11 -1 0 378.75 17.97 -11 -1 0 399.23 18.37 -11 -1 0 376.76 17.82 -11 -1 0 355.48 17.20 11 1 0 383.12 17.50 11 1 0 391.31 17.29 11 1 0 382.43 18.01 11 1 0 388.34 17.97 -13 -1 0 260.73 12.47 -13 -1 0 230.00 11.86 -13 -1 0 231.02 11.91 -13 -1 0 212.63 10.99 -13 -1 0 232.91 11.77 13 1 0 231.67 11.95 13 1 0 241.94 11.38 13 1 0 224.84 11.03 13 1 0 224.17 11.80 -15 -1 0 137.05 7.11 -15 -1 0 119.75 7.64 -15 -1 0 138.07 8.05 -15 -1 0 140.91 8.35 15 1 0 146.02 8.10 15 1 0 132.92 8.00 15 1 0 129.92 7.03 15 1 0 130.41 7.27 -17 -1 0 108.98 7.44 -17 -1 0 99.20 6.87 -17 -1 0 106.70 7.15 -17 -1 0 110.52 6.21 17 1 0 117.12 6.24 17 1 0 114.21 7.33 17 1 0 107.01 7.11 -19 -1 0 85.55 5.12 -19 -1 0 91.84 6.27 -19 -1 0 78.66 6.32 19 1 0 77.45 6.06 19 1 0 73.88 5.21 19 1 0 77.15 5.98 -21 -1 0 85.77 6.63 21 1 0 90.51 6.76 -23 -1 0 72.73 6.16 -23 -1 0 61.86 7.25 23 1 0 69.17 6.00 22 -2 0 53.43 6.10 -22 2 0 67.60 5.75 -22 2 0 65.73 5.83 20 -2 0 51.24 5.70 -20 2 0 56.72 4.92 -20 2 0 47.99 5.49 18 -2 0 69.65 5.37 18 -2 0 64.78 5.42 -18 2 0 54.84 4.94 -18 2 0 63.14 5.05 16 -2 0 77.13 5.42 16 -2 0 69.75 4.53 16 -2 0 68.49 5.39 -16 2 0 69.84 5.24 -16 2 0 62.75 4.95 14 -2 0 139.99 8.71 14 -2 0 142.82 8.10 14 -2 0 152.13 7.93 14 -2 0 169.93 8.86 -14 2 0 149.24 8.59 -14 2 0 150.34 8.47 -14 2 0 138.60 8.56 12 -2 0 188.56 9.63 12 -2 0 187.70 9.86 12 -2 0 205.68 10.61 12 -2 0 206.75 10.40 -12 2 0 190.29 10.19 -12 2 0 197.51 10.40 -12 2 0 187.34 10.06 10 -2 0 159.33 8.46 10 -2 0 171.13 8.54 10 -2 0 156.71 8.13 10 -2 0 156.51 7.92 10 -2 0 146.55 8.47 -10 2 0 154.63 8.31 -10 2 0 150.02 8.46 -10 2 0 163.02 8.31 -10 2 0 168.18 8.57 8 -2 0 174.30 8.76 8 -2 0 181.54 8.40 8 -2 0 186.54 8.86 8 -2 0 161.88 8.81 8 -2 0 171.09 8.52 -8 2 0 178.06 8.65 -8 2 0 170.32 8.86 -8 2 0 170.27 8.76 -8 2 0 163.76 8.61 6 -2 0 65.74 3.88 6 -2 0 66.52 3.77 6 -2 0 70.19 3.86 6 -2 0 62.41 3.62 6 -2 0 63.10 3.51 -6 2 0 61.31 3.62 -6 2 0 65.31 3.71 -6 2 0 65.54 3.88 -6 2 0 66.03 3.83 4 -2 0 46.24 2.62 4 -2 0 45.43 2.72 4 -2 0 49.90 2.81 4 -2 0 45.25 2.63 4 -2 0 46.69 2.57 -4 2 0 42.68 2.58 -4 2 0 42.54 2.58 -4 2 0 47.40 2.74 2 -2 0 674.56 30.36 -2 2 0 656.34 30.29 0 -2 0 254.90 13.30 -2 -2 0 648.64 29.37 -4 -2 0 43.52 2.47 -4 -2 0 42.92 2.29 -4 -2 0 43.82 2.25 -4 -2 0 39.70 2.36 4 2 0 42.52 2.25 4 2 0 38.95 2.40 4 2 0 41.65 2.31 4 2 0 44.63 2.30 -6 -2 0 66.60 3.55 -6 -2 0 64.56 3.58 -6 -2 0 59.32 3.28 -6 -2 0 63.71 3.41 6 2 0 62.11 3.57 6 2 0 61.23 3.27 6 2 0 65.22 3.38 6 2 0 63.20 3.44 -8 -2 0 162.18 8.26 -8 -2 0 185.28 8.51 -8 -2 0 160.41 8.19 -8 -2 0 160.39 7.92 8 2 0 174.73 8.44 8 2 0 164.61 8.24 8 2 0 173.49 7.95 8 2 0 168.67 8.09 -10 -2 0 149.57 7.94 -10 -2 0 154.66 8.07 -10 -2 0 146.96 7.49 -10 -2 0 148.86 7.90 10 2 0 158.49 7.50 10 2 0 156.42 8.10 10 2 0 158.97 7.70 10 2 0 160.41 8.06 -12 -2 0 188.99 9.74 -12 -2 0 177.13 9.10 -12 -2 0 187.28 9.75 -12 -2 0 187.54 9.84 12 2 0 189.08 9.10 12 2 0 197.20 9.87 12 2 0 196.67 9.38 12 2 0 182.42 9.81 -14 -2 0 147.75 8.80 -14 -2 0 149.04 7.56 -14 -2 0 138.78 8.29 -14 -2 0 145.21 8.28 -14 -2 0 145.10 8.71 14 2 0 157.73 8.47 14 2 0 140.77 8.27 14 2 0 148.36 7.78 14 2 0 149.13 7.51 -16 -2 0 81.06 5.58 -16 -2 0 74.14 4.55 -16 -2 0 75.28 5.34 -16 -2 0 77.39 5.81 16 2 0 76.34 4.79 16 2 0 74.39 4.55 16 2 0 75.77 5.39 16 2 0 73.04 5.33 -18 -2 0 63.51 5.29 -18 -2 0 53.03 4.71 -18 -2 0 56.02 3.85 -18 -2 0 60.52 4.81 18 2 0 61.34 4.89 18 2 0 57.64 3.88 18 2 0 55.71 4.70 -20 -2 0 54.39 3.75 -20 -2 0 48.20 5.69 -20 -2 0 50.19 4.61 20 2 0 47.15 5.33 -22 -2 0 45.72 5.90 -22 -2 0 60.12 5.38 22 2 0 66.75 5.57 23 -3 0 29.09 4.52 -23 3 0 32.17 4.61 -23 3 0 20.98 3.76 21 -3 0 15.15 2.95 -21 3 0 15.31 2.99 -21 3 0 14.01 2.85 19 -3 0 20.68 3.42 -19 3 0 17.93 3.06 -19 3 0 20.51 3.24 17 -3 0 9.00 2.04 -17 3 0 9.54 2.03 -17 3 0 9.13 2.01 15 -3 0 29.20 3.05 15 -3 0 25.07 3.34 15 -3 0 25.57 3.46 -15 3 0 28.15 3.36 -15 3 0 22.92 3.11 13 -3 0 65.36 4.76 13 -3 0 72.01 5.09 13 -3 0 53.94 4.52 13 -3 0 62.93 4.19 -13 3 0 68.11 4.69 -13 3 0 64.05 4.77 -13 3 0 70.44 4.69 11 -3 0 71.45 4.79 11 -3 0 68.93 4.85 11 -3 0 65.32 4.38 11 -3 0 76.77 4.40 11 -3 0 65.72 4.66 -11 3 0 80.59 4.77 -11 3 0 76.04 4.91 -11 3 0 62.08 4.68 -11 3 0 68.43 4.58 9 -3 0 63.93 4.17 9 -3 0 55.74 3.57 9 -3 0 55.03 3.66 9 -3 0 58.86 3.90 9 -3 0 59.09 3.97 -9 3 0 59.95 3.83 -9 3 0 59.11 3.81 -9 3 0 56.73 3.94 -9 3 0 57.27 4.02 7 -3 0 150.63 7.39 7 -3 0 156.23 7.77 7 -3 0 143.15 7.46 7 -3 0 143.93 7.58 7 -3 0 147.69 7.78 -7 3 0 145.37 7.76 -7 3 0 156.41 7.60 -7 3 0 157.25 7.60 -7 3 0 137.12 7.65 5 -3 0 77.13 4.17 5 -3 0 80.49 4.45 5 -3 0 77.03 4.26 5 -3 0 76.86 4.39 5 -3 0 77.71 4.28 -5 3 0 79.16 4.27 -5 3 0 83.57 4.49 -5 3 0 71.95 4.18 -5 3 0 79.20 4.41 3 -3 0 247.80 13.29 -3 3 0 238.27 13.13 1 -3 0 14.21 1.18 1 -3 0 12.42 1.05 1 -3 0 11.60 1.05 1 -3 0 14.08 1.13 -1 3 0 13.99 1.09 -1 3 0 14.14 1.16 -1 3 0 12.29 0.97 -1 3 0 12.79 1.09 -1 -3 0 11.24 0.98 -1 -3 0 11.77 1.09 -1 -3 0 12.58 1.07 1 3 0 12.43 1.06 1 3 0 11.55 0.97 1 3 0 13.67 1.16 -3 -3 0 244.76 13.00 -5 -3 0 77.31 4.00 -5 -3 0 80.07 4.19 -5 -3 0 74.99 3.75 -5 -3 0 73.10 4.06 5 3 0 73.74 3.93 5 3 0 81.21 4.20 5 3 0 77.18 3.79 5 3 0 76.61 3.94 -7 -3 0 148.66 7.45 -7 -3 0 146.92 7.21 -7 -3 0 147.88 7.54 -7 -3 0 150.14 7.20 7 3 0 151.72 7.55 7 3 0 147.94 7.23 7 3 0 154.50 7.27 7 3 0 152.18 7.19 -9 -3 0 58.23 3.54 -9 -3 0 58.84 3.42 -9 -3 0 64.27 3.88 -9 -3 0 63.97 3.81 9 3 0 56.52 3.75 9 3 0 62.07 3.51 9 3 0 56.34 3.55 9 3 0 56.10 3.33 -11 -3 0 74.76 4.58 -11 -3 0 75.13 4.41 -11 -3 0 63.25 3.99 -11 -3 0 69.83 4.54 11 3 0 71.67 4.42 11 3 0 68.60 4.00 11 3 0 69.68 4.14 11 3 0 81.16 4.75 -13 -3 0 62.56 4.50 -13 -3 0 68.46 4.02 -13 -3 0 68.96 4.44 -13 -3 0 63.61 4.49 13 3 0 67.88 3.97 13 3 0 62.76 4.38 13 3 0 68.54 4.64 13 3 0 66.48 4.11 -15 -3 0 28.87 2.28 -15 -3 0 24.46 3.16 -15 -3 0 19.64 2.79 -15 -3 0 30.59 3.91 15 3 0 27.27 2.33 15 3 0 27.73 2.23 15 3 0 30.75 3.40 15 3 0 23.41 3.09 -17 -3 0 9.11 1.50 -17 -3 0 9.91 2.10 -17 -3 0 7.58 2.05 -17 -3 0 9.41 2.02 17 3 0 7.16 1.28 17 3 0 5.34 1.51 17 3 0 7.49 1.72 17 3 0 11.42 1.74 -19 -3 0 13.36 2.84 -19 -3 0 14.71 2.73 -19 -3 0 22.14 2.49 19 3 0 18.45 2.28 19 3 0 23.62 3.43 19 3 0 20.06 3.05 -21 -3 0 19.84 2.45 -21 -3 0 18.29 3.56 -21 -3 0 16.42 3.11 21 3 0 19.62 3.31 -23 -3 0 26.56 4.19 -23 -3 0 28.17 4.45 23 3 0 25.13 3.92 22 -4 0 2.61 1.41 -22 4 0 2.47 1.33 -22 4 0 0.26 0.67 20 -4 0 0.23 0.58 -20 4 0 0.37 0.62 -20 4 0 0.54 0.74 18 -4 0 0.74 0.76 -18 4 0 0.38 0.51 -18 4 0 -0.13 0.22 16 -4 0 0.81 0.70 -16 4 0 0.37 0.55 -16 4 0 0.52 0.65 14 -4 0 0.63 0.66 14 -4 0 -0.31 0.21 -14 4 0 0.36 0.53 -14 4 0 -0.40 0.17 12 -4 0 8.66 1.84 12 -4 0 8.19 1.73 12 -4 0 8.55 1.50 -12 4 0 8.50 1.77 -12 4 0 8.06 1.68 -12 4 0 7.87 1.63 10 -4 0 0.79 0.58 10 -4 0 0.44 0.38 10 -4 0 1.14 0.74 10 -4 0 1.63 0.76 10 -4 0 1.57 0.63 -10 4 0 1.69 0.71 -10 4 0 0.89 0.58 -10 4 0 1.58 0.71 -10 4 0 0.60 0.50 8 -4 0 0.74 0.48 8 -4 0 0.06 0.19 8 -4 0 1.64 0.72 8 -4 0 0.91 0.54 8 -4 0 -0.08 0.23 -8 4 0 0.46 0.38 -8 4 0 0.83 0.49 -8 4 0 0.45 0.37 -8 4 0 0.26 0.37 6 -4 0 14.37 1.78 6 -4 0 20.61 2.02 6 -4 0 14.61 1.98 6 -4 0 20.81 2.14 6 -4 0 15.60 2.02 -6 4 0 15.81 1.83 -6 4 0 15.56 1.85 -6 4 0 13.95 1.90 -6 4 0 14.64 1.93 4 -4 0 7.28 1.12 4 -4 0 9.71 1.41 4 -4 0 8.86 1.27 4 -4 0 8.73 1.26 -4 4 0 10.87 1.35 -4 4 0 9.41 1.27 -4 4 0 10.56 1.34 -4 4 0 9.90 1.41 2 -4 0 0.90 0.41 2 -4 0 1.28 0.45 2 -4 0 1.15 0.43 2 -4 0 0.97 0.40 -2 4 0 1.28 0.50 -2 4 0 1.40 0.47 -2 4 0 1.06 0.45 -2 4 0 0.27 0.23 0 -4 0 4.72 0.84 0 -4 0 5.02 0.83 0 -4 0 4.17 0.75 0 4 0 5.36 0.92 0 4 0 6.30 1.00 0 4 0 4.55 0.86 0 4 0 4.41 0.62 -2 -4 0 0.46 0.33 -2 -4 0 1.73 0.53 -2 -4 0 1.16 0.43 2 4 0 1.06 0.22 2 4 0 1.69 0.51 2 4 0 1.42 0.51 2 4 0 1.34 0.39 -4 -4 0 8.42 1.36 -4 -4 0 10.63 1.36 -4 -4 0 10.45 0.71 -4 -4 0 9.80 1.24 -4 -4 0 11.95 1.31 4 4 0 6.90 1.12 4 4 0 9.52 0.69 4 4 0 8.80 1.11 -6 -4 0 16.75 1.89 -6 -4 0 15.71 1.15 -6 -4 0 16.13 1.79 -6 -4 0 14.24 1.56 6 4 0 17.44 1.58 6 4 0 16.23 1.19 6 4 0 17.01 1.38 -8 -4 0 0.05 0.26 -8 -4 0 0.23 0.26 -8 -4 0 0.28 0.26 -8 -4 0 0.43 0.31 8 4 0 0.16 0.20 8 4 0 0.31 0.27 8 4 0 0.13 0.16 8 4 0 0.97 0.52 -10 -4 0 0.81 0.39 -10 -4 0 -0.06 0.18 -10 -4 0 0.60 0.39 -10 -4 0 2.06 0.73 10 4 0 0.89 0.53 10 4 0 0.90 0.45 10 4 0 0.96 0.41 10 4 0 1.49 0.54 -12 -4 0 7.48 1.52 -12 -4 0 7.21 1.47 -12 -4 0 6.18 1.11 -12 -4 0 9.88 1.51 12 4 0 9.12 1.36 12 4 0 6.59 1.44 12 4 0 8.01 1.42 12 4 0 10.35 1.44 -14 -4 0 0.20 0.34 -14 -4 0 0.17 0.36 -14 -4 0 0.11 0.26 -14 -4 0 0.12 0.29 14 4 0 -0.02 0.14 14 4 0 0.33 0.46 14 4 0 -0.13 0.24 14 4 0 0.26 0.30 -16 -4 0 0.67 0.56 -16 -4 0 0.67 0.43 16 4 0 1.29 0.62 16 4 0 0.00 0.29 16 4 0 0.75 0.48 16 4 0 0.93 0.67 -18 -4 0 0.28 0.48 -18 -4 0 0.87 0.83 -18 -4 0 0.12 0.37 -18 -4 0 0.16 0.27 18 4 0 0.21 0.30 18 4 0 0.04 0.27 18 4 0 0.04 0.26 18 4 0 1.41 0.61 -20 -4 0 0.26 0.54 -20 -4 0 1.03 0.53 -20 -4 0 -0.32 0.21 20 4 0 0.17 0.40 -22 -4 0 1.24 0.93 -22 -4 0 1.67 1.14 -22 -4 0 0.77 0.57 22 4 0 1.24 0.94 21 -5 0 3.05 1.40 -21 5 0 6.41 1.95 -21 5 0 5.63 1.84 19 -5 0 9.22 2.32 -19 5 0 7.82 2.11 -19 5 0 8.66 2.13 17 -5 0 11.22 2.47 -17 5 0 7.58 1.90 -17 5 0 11.72 2.37 15 -5 0 21.92 3.19 -15 5 0 19.70 3.02 -15 5 0 15.68 2.58 13 -5 0 21.72 3.14 -13 5 0 20.15 2.82 -13 5 0 24.46 3.00 11 -5 0 13.91 2.00 11 -5 0 11.84 2.10 11 -5 0 5.44 1.53 -11 5 0 10.16 1.82 -11 5 0 10.04 1.97 -11 5 0 12.47 2.10 9 -5 0 17.93 2.53 9 -5 0 22.81 2.68 9 -5 0 20.83 2.59 9 -5 0 20.14 2.69 9 -5 0 21.96 2.42 -9 5 0 23.99 2.86 -9 5 0 20.03 2.40 -9 5 0 23.92 2.98 -9 5 0 23.55 2.72 7 -5 0 28.42 2.46 7 -5 0 34.23 2.54 7 -5 0 26.49 2.37 7 -5 0 31.42 2.68 -7 5 0 28.69 2.40 -7 5 0 33.36 2.58 -7 5 0 31.20 2.69 -7 5 0 33.33 2.70 5 -5 0 56.88 3.67 5 -5 0 58.41 3.88 5 -5 0 62.87 3.79 -5 5 0 59.04 3.69 -5 5 0 61.01 3.71 -5 5 0 60.96 3.78 -5 5 0 53.18 3.80 3 -5 0 20.80 1.76 3 -5 0 21.61 2.22 3 -5 0 18.06 2.09 3 -5 0 19.86 1.73 -3 5 0 19.89 1.71 -3 5 0 20.27 1.85 -3 5 0 18.97 1.70 -3 5 0 18.63 1.62 1 -5 0 10.35 1.40 1 -5 0 8.55 1.25 1 -5 0 8.86 1.26 -1 5 0 7.48 1.22 -1 5 0 8.20 1.04 -1 5 0 9.19 1.42 -1 5 0 9.83 1.39 -1 -5 0 8.40 1.31 -1 -5 0 7.61 1.17 -1 -5 0 7.32 1.16 1 5 0 9.54 0.77 1 5 0 8.39 1.18 1 5 0 9.71 1.34 1 5 0 7.46 1.23 1 5 0 9.54 1.41 -3 -5 0 24.69 1.87 -3 -5 0 21.66 1.93 -3 -5 0 19.17 1.74 3 5 0 19.76 1.61 3 5 0 22.49 1.85 3 5 0 20.85 1.18 -5 -5 0 63.87 3.73 -5 -5 0 58.45 3.54 -5 -5 0 55.85 2.85 -5 -5 0 61.73 3.94 -5 -5 0 56.41 3.57 5 5 0 58.47 3.65 5 5 0 55.08 3.36 5 5 0 59.86 2.89 -7 -5 0 27.47 2.30 -7 -5 0 28.84 1.76 -7 -5 0 27.02 2.26 -7 -5 0 30.10 2.23 -7 -5 0 30.51 2.65 7 5 0 28.67 1.81 7 5 0 26.97 2.30 7 5 0 27.24 2.04 -9 -5 0 24.06 2.64 -9 -5 0 20.61 1.59 -9 -5 0 19.08 2.09 -9 -5 0 16.37 2.13 9 5 0 21.71 2.45 9 5 0 20.32 1.73 9 5 0 20.01 1.61 -11 -5 0 7.06 1.25 -11 -5 0 8.51 1.58 -11 -5 0 7.62 1.20 -11 -5 0 7.36 1.54 11 5 0 8.68 1.35 11 5 0 7.56 1.54 11 5 0 11.18 1.55 -13 -5 0 21.45 2.35 -13 -5 0 25.10 2.99 -13 -5 0 23.39 2.94 -13 -5 0 22.54 2.44 13 5 0 22.26 2.55 13 5 0 20.99 2.32 13 5 0 23.43 2.85 -15 -5 0 21.04 2.36 -15 -5 0 19.59 2.83 -15 -5 0 14.58 2.38 -15 -5 0 19.00 2.40 15 5 0 15.90 2.28 15 5 0 17.75 2.67 15 5 0 17.66 2.14 -17 -5 0 12.00 2.40 -17 -5 0 13.32 2.41 -17 -5 0 10.36 1.73 17 5 0 9.16 1.59 17 5 0 12.06 2.08 17 5 0 9.18 2.03 -19 -5 0 7.52 1.43 -19 -5 0 7.88 2.07 -19 -5 0 6.35 2.01 19 5 0 3.80 1.46 -21 -5 0 5.85 1.74 -21 -5 0 2.99 1.61 -21 -5 0 3.30 1.00 21 5 0 5.47 1.76 22 -6 0 21.05 3.38 22 -6 0 19.32 3.76 -22 6 0 28.36 4.30 -22 6 0 22.14 3.80 20 -6 0 23.41 3.51 20 -6 0 30.88 4.56 -20 6 0 28.10 4.18 -20 6 0 28.11 4.09 18 -6 0 29.35 4.31 -18 6 0 32.36 4.25 -18 6 0 31.14 4.14 16 -6 0 55.61 4.91 -16 6 0 56.42 4.68 -16 6 0 48.10 4.38 14 -6 0 57.48 4.92 -14 6 0 66.07 4.88 -14 6 0 60.38 4.76 12 -6 0 86.63 5.97 -12 6 0 85.11 5.63 -12 6 0 81.51 5.61 10 -6 0 44.94 3.73 -10 6 0 41.40 3.42 -10 6 0 41.87 3.37 -10 6 0 42.06 3.69 8 -6 0 88.76 5.41 8 -6 0 90.13 5.63 8 -6 0 85.23 5.25 8 -6 0 87.52 5.38 -8 6 0 86.02 5.26 -8 6 0 83.10 5.26 -8 6 0 85.10 5.48 -8 6 0 78.94 5.45 6 -6 0 126.95 7.14 6 -6 0 125.51 7.31 6 -6 0 133.05 7.14 6 -6 0 131.88 7.15 -6 6 0 129.99 7.17 -6 6 0 128.19 7.37 -6 6 0 130.32 7.07 -6 6 0 131.75 7.06 4 -6 0 146.33 7.68 4 -6 0 143.74 7.88 4 -6 0 154.96 7.81 4 -6 0 153.76 7.75 -4 6 0 140.84 7.61 -4 6 0 134.06 7.45 -4 6 0 146.80 7.94 -4 6 0 152.34 7.67 2 -6 0 163.10 8.41 2 -6 0 166.58 8.37 2 -6 0 159.71 8.36 -2 6 0 170.74 8.61 -2 6 0 158.57 8.05 -2 6 0 167.28 8.49 -2 6 0 172.52 8.61 0 -6 0 126.29 6.66 0 -6 0 125.66 6.72 0 -6 0 128.90 6.80 0 6 0 130.66 6.89 0 6 0 129.67 6.85 0 6 0 127.02 6.18 0 6 0 125.78 6.88 -2 -6 0 158.52 8.15 -2 -6 0 162.82 8.29 -2 -6 0 156.96 8.30 2 6 0 158.56 8.43 2 6 0 170.44 8.07 2 6 0 158.00 8.24 -4 -6 0 154.04 7.78 -4 -6 0 144.53 7.59 -4 -6 0 143.06 7.92 -4 -6 0 153.74 7.71 4 6 0 146.41 7.41 4 6 0 144.38 7.73 -6 -6 0 123.79 6.72 -6 -6 0 127.52 6.93 -6 -6 0 128.94 7.24 -6 -6 0 127.37 6.88 6 6 0 133.21 5.86 6 6 0 121.76 6.90 6 6 0 122.51 6.52 -8 -6 0 75.58 4.93 -8 -6 0 95.08 5.40 -8 -6 0 88.67 5.31 -8 -6 0 89.97 4.36 -8 -6 0 84.28 6.02 8 6 0 92.49 4.43 8 6 0 83.13 5.24 8 6 0 84.00 4.83 -10 -6 0 43.90 3.40 -10 -6 0 45.63 2.71 -10 -6 0 42.64 3.38 -10 -6 0 41.81 3.10 10 6 0 43.60 2.97 10 6 0 46.59 2.80 10 6 0 37.05 3.24 -12 -6 0 70.13 4.18 -12 -6 0 83.81 4.74 -12 -6 0 67.31 4.88 -12 -6 0 68.10 4.93 12 6 0 71.64 4.34 12 6 0 70.43 4.27 12 6 0 77.10 5.09 -14 -6 0 57.25 4.48 -14 -6 0 57.14 3.79 -14 -6 0 57.95 4.51 -14 -6 0 60.63 3.99 14 6 0 54.89 3.72 14 6 0 60.21 4.52 14 6 0 55.30 3.83 -16 -6 0 43.26 3.96 -16 -6 0 44.29 3.41 -16 -6 0 40.38 3.24 -16 -6 0 46.68 4.11 16 6 0 47.62 4.09 16 6 0 43.86 3.45 16 6 0 44.43 3.21 -18 -6 0 35.15 2.94 -18 -6 0 35.17 4.43 18 6 0 28.72 3.90 18 6 0 38.67 2.88 -20 -6 0 19.10 3.75 -20 -6 0 21.66 2.57 -20 -6 0 24.94 3.93 20 6 0 22.70 3.56 -22 -6 0 23.53 3.99 -22 -6 0 25.07 4.53 21 -7 0 46.85 5.88 21 -7 0 45.60 5.16 -21 7 0 32.02 4.73 -21 7 0 54.92 6.25 19 -7 0 54.03 6.25 19 -7 0 46.86 5.34 -19 7 0 60.65 5.31 -19 7 0 52.96 5.73 17 -7 0 69.32 5.43 17 -7 0 60.81 5.55 -17 7 0 61.91 5.35 -17 7 0 68.21 5.46 15 -7 0 93.44 6.86 -15 7 0 80.68 6.19 -15 7 0 107.50 6.88 13 -7 0 125.61 8.03 -13 7 0 117.12 7.51 -13 7 0 125.28 7.75 11 -7 0 188.61 10.46 -11 7 0 180.18 10.02 -11 7 0 175.34 9.88 9 -7 0 138.41 8.25 9 -7 0 148.59 8.61 -9 7 0 145.53 8.21 -9 7 0 151.54 8.28 7 -7 0 214.88 11.64 7 -7 0 237.29 11.75 7 -7 0 212.52 11.84 -7 7 0 215.26 11.88 -7 7 0 248.30 11.74 -7 7 0 234.97 11.81 -7 7 0 234.73 11.67 5 -7 0 220.04 10.93 5 -7 0 229.42 11.29 5 -7 0 208.52 10.81 5 -7 0 213.03 10.92 -5 7 0 213.96 10.77 -5 7 0 202.88 10.70 -5 7 0 207.10 10.78 -5 7 0 214.90 11.14 3 -7 0 272.62 13.30 3 -7 0 264.26 13.20 3 -7 0 281.91 13.31 -3 7 0 265.23 13.48 -3 7 0 277.43 12.93 -3 7 0 268.61 13.41 -3 7 0 272.59 13.33 1 -7 0 218.93 11.18 1 -7 0 226.84 11.31 1 -7 0 223.95 11.29 -1 7 0 238.37 11.51 -1 7 0 234.60 11.53 -1 7 0 232.55 11.46 -1 7 0 221.24 10.70 -1 -7 0 216.67 11.12 -1 -7 0 229.77 11.29 -1 -7 0 231.04 11.40 1 7 0 244.48 11.52 1 7 0 229.71 10.42 1 7 0 223.52 11.52 1 7 0 219.03 11.32 -3 -7 0 252.19 13.10 -3 -7 0 273.62 13.10 -3 -7 0 284.74 13.07 3 7 0 263.92 13.37 3 7 0 269.51 13.07 3 7 0 255.81 12.63 -5 -7 0 212.15 10.77 -5 -7 0 221.26 10.79 -5 -7 0 204.51 10.99 -5 -7 0 212.69 10.65 5 7 0 203.88 10.75 5 7 0 218.46 10.40 -7 -7 0 213.23 11.42 -7 -7 0 233.84 11.73 -7 -7 0 233.50 11.74 7 7 0 243.08 10.29 7 7 0 224.96 11.16 7 7 0 236.28 11.79 -9 -7 0 146.43 6.52 -9 -7 0 138.06 7.77 -9 -7 0 125.01 7.36 -9 -7 0 133.18 7.72 9 7 0 132.47 7.16 9 7 0 144.10 7.88 9 7 0 136.96 6.53 -11 -7 0 170.99 9.84 -11 -7 0 185.90 8.68 -11 -7 0 178.65 9.52 -11 -7 0 189.14 9.98 11 7 0 181.43 9.19 11 7 0 177.58 8.73 11 7 0 192.48 10.07 -13 -7 0 111.94 7.30 -13 -7 0 113.97 7.27 -13 -7 0 128.94 6.95 -13 -7 0 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2.27 10 2 -25 5.36 1.63 -10 -2 25 7.87 2.00 8 2 -25 5.56 1.51 8 2 -25 6.05 2.16 -8 -2 25 4.77 1.50 6 2 -25 5.79 1.44 6 2 -25 10.03 2.68 -6 -2 25 5.10 1.57 4 2 -25 3.45 1.64 4 2 -25 1.28 0.67 -4 -2 25 2.00 0.96 2 2 -25 1.92 0.90 2 2 -25 2.35 0.71 2 2 -25 2.37 1.30 -2 -2 25 2.34 0.94 15 1 -25 1.99 1.34 13 1 -25 0.00 0.66 13 1 -25 1.03 0.85 -13 -1 25 0.26 0.59 11 1 -25 2.46 1.37 9 1 -25 3.37 1.20 9 1 -25 1.71 1.19 -9 -1 25 1.97 0.99 7 1 -25 5.31 1.93 7 1 -25 5.30 1.34 -7 -1 25 3.56 1.35 5 1 -25 0.86 0.53 5 1 -25 1.85 1.28 -5 -1 25 1.16 0.77 3 1 -25 1.89 1.19 3 1 -25 1.61 0.58 -3 -1 25 0.63 0.53 1 1 -25 3.23 1.62 -1 -1 25 2.31 0.93 14 0 -25 0.32 0.55 14 0 -25 0.38 0.88 -14 0 25 -0.07 0.24 12 0 -25 0.30 0.50 12 0 -25 -0.23 0.49 -12 0 25 0.19 0.47 10 0 -25 -0.18 0.53 10 0 -25 1.23 0.71 -10 0 25 0.24 0.47 8 0 -25 0.24 0.33 8 0 -25 0.03 0.53 -8 0 25 0.31 0.55 6 0 -25 0.53 0.74 6 0 -25 0.16 0.33 -6 0 25 0.36 0.46 4 0 -25 -0.27 0.44 4 0 -25 0.19 0.21 -4 0 25 0.77 0.68 2 0 -25 -0.41 0.30 -2 0 25 0.02 0.28 15 -1 -25 0.86 0.99 13 -1 -25 -0.25 0.50 13 -1 -25 0.13 0.41 -13 1 25 0.99 0.75 11 -1 -25 1.14 1.17 11 -1 -25 1.10 0.71 -11 1 25 1.52 1.03 9 -1 -25 1.45 1.14 9 -1 -25 1.88 0.84 -9 1 25 1.99 1.01 7 -1 -25 2.67 1.48 7 -1 -25 3.88 0.98 -7 1 25 3.25 1.22 5 -1 -25 1.54 1.22 -5 1 25 0.96 0.66 3 -1 -25 1.65 1.20 -3 1 25 0.28 0.37 1 -1 -25 1.09 0.85 14 -2 -25 10.87 2.44 14 -2 -25 5.15 2.03 -14 2 25 7.88 2.14 12 -2 -25 1.02 0.68 12 -2 -25 0.16 0.61 -12 2 25 2.69 1.24 10 -2 -25 7.66 2.35 10 -2 -25 6.35 1.52 -10 2 25 9.08 2.14 8 -2 -25 3.60 1.65 8 -2 -25 4.79 1.12 -8 2 25 4.68 1.46 6 -2 -25 6.13 2.09 -6 2 25 6.28 1.58 4 -2 -25 2.08 1.42 -4 2 25 1.59 0.87 2 -2 -25 2.97 1.44 -2 2 25 2.33 0.88 13 -3 -25 5.03 2.00 13 -3 -25 5.98 1.67 -13 3 25 2.89 1.23 11 -3 -25 11.27 2.08 11 -3 -25 8.27 2.36 -11 3 25 10.38 2.27 9 -3 -25 7.32 2.24 9 -3 -25 6.68 1.37 -9 3 25 7.41 1.89 7 -3 -25 13.57 3.05 -7 3 25 9.06 2.01 5 -3 -25 10.02 2.57 -5 3 25 7.77 1.78 3 -3 -25 2.32 1.26 12 -4 -25 16.53 3.49 12 -4 -25 16.27 2.60 -12 4 25 14.00 2.83 10 -4 -25 2.85 1.48 10 -4 -25 3.04 0.98 -10 4 25 2.89 1.21 8 -4 -25 9.36 2.40 -8 4 25 6.89 1.77 6 -4 -25 2.66 1.40 4 -4 -25 10.76 2.67 8 2 -26 12.97 2.43 -8 -2 26 9.11 2.16 11 1 -26 18.83 3.02 -11 -1 26 18.11 3.13 9 1 -26 18.06 2.65 9 1 -26 12.66 3.13 -9 -1 26 17.01 2.95 7 1 -26 11.90 3.09 7 1 -26 13.32 2.11 -7 -1 26 14.50 2.63 10 0 -26 28.16 3.43 10 0 -26 20.36 3.93 -10 0 26 26.59 3.77 8 0 -26 11.55 2.02 8 0 -26 14.55 3.39 -8 0 26 17.43 2.91 6 0 -26 33.73 2.55 -6 0 26 25.49 3.44 11 -1 -26 14.95 2.45 11 -1 -26 15.19 3.39 -11 1 26 23.64 3.58 9 -1 -26 23.99 2.93 9 -1 -26 20.28 3.87 -9 1 26 21.26 3.31 7 -1 -26 16.17 3.31 7 -1 -26 13.56 1.78 -7 1 26 11.63 2.27 8 -2 -26 7.02 1.30 8 -2 -26 8.13 2.40 -8 2 26 13.90 2.49 0 0 0 0.00 0.00 ; _shelx_hkl_checksum 70339 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -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 Tb1 Tb 0.49823(2) 0.55931(2) 0.39741(2) 0.00812(5) Uani 1 1 d . . . . . O1 O 0.58687(13) 0.5136(2) 0.33946(13) 0.0138(4) Uani 1 1 d D . . . . O2 O 0.58931(15) 0.5584(2) 0.22436(14) 0.0201(5) Uani 1 1 d . . . . . O3 O 0.9253(2) 0.8909(3) 0.38621(19) 0.0426(8) Uani 1 1 d . U . . . O4 O 0.93090(17) 0.8257(2) 0.50070(15) 0.0248(6) Uani 1 1 d . U . . . O5 O 0.57867(17) 0.4350(2) 0.49124(17) 0.0261(6) Uani 1 1 d . U . . . O6 O 0.60570(15) 0.3230(2) 0.59212(14) 0.0200(5) Uani 1 1 d . U . . . O7 O 0.52623(16) 0.7423(2) 0.34908(14) 0.0207(5) Uani 1 1 d . . . . . C1 C 0.69480(19) 0.6226(3) 0.32916(18) 0.0140(6) Uani 1 1 d . . . . . C2 C 0.7298(2) 0.6810(3) 0.28277(18) 0.0217(7) Uani 1 1 d . . . . . H2 H 0.706912 0.676723 0.229188 0.026 Uiso 1 1 calc R U . . . C3 C 0.7979(2) 0.7453(4) 0.3150(2) 0.0260(8) Uani 1 1 d . U . . . H3 H 0.821237 0.785833 0.283387 0.031 Uiso 1 1 calc R U . . . C4 C 0.8322(2) 0.7505(4) 0.3933(2) 0.0244(8) Uani 1 1 d . U . . . C5 C 0.7985(2) 0.6898(3) 0.43950(19) 0.0228(8) Uani 1 1 d . . . . . H5A H 0.822422 0.692065 0.493031 0.027 Uiso 1 1 calc R U . . . C6 C 0.7302(2) 0.6262(3) 0.40760(18) 0.0177(7) Uani 1 1 d . . . . . H6 H 0.707352 0.584842 0.439298 0.021 Uiso 1 1 calc R U . . . C7 C 0.61794(19) 0.5615(3) 0.29403(18) 0.0125(6) Uani 1 1 d . . . . . C8 C 0.9015(3) 0.8281(4) 0.4295(2) 0.0301(9) Uani 1 1 d . U . . . C9 C 0.6873(2) 0.3018(3) 0.5158(2) 0.0200(7) Uani 1 1 d . U . . . C10 C 0.6980(2) 0.3222(3) 0.4462(2) 0.0221(7) Uani 1 1 d . U . . . H10 H 0.662725 0.371179 0.409674 0.027 Uiso 1 1 calc R U . . . C11 C 0.7392(2) 0.2300(4) 0.5693(2) 0.0230(7) Uani 1 1 d . U . . . H11 H 0.731503 0.216569 0.616601 0.028 Uiso 1 1 calc R U . . . C12 C 0.6194(2) 0.3566(3) 0.5338(2) 0.0202(7) Uani 1 1 d . . . . . N1 N 0.5561(3) 0.9333(3) 0.3671(2) 0.0347(9) Uani 1 1 d . U . . . C13 C 0.5183(3) 0.8380(4) 0.3726(3) 0.0416(11) Uani 1 1 d . U . . . H13 H 0.480401 0.844830 0.397877 0.050 Uiso 1 1 calc R U . . . C14 C 0.5997(5) 0.9388(7) 0.3131(5) 0.0330(14) Uani 0.552(5) 1 d . . P A 1 H14A H 0.574482 0.997807 0.274114 0.040 Uiso 0.552(5) 1 calc R U P A 1 H14B H 0.594764 0.862969 0.287030 0.040 Uiso 0.552(5) 1 calc R U P A 1 C15 C 0.6852(7) 0.9675(12) 0.3466(8) 0.065(3) Uani 0.552(5) 1 d . . P A 1 H15A H 0.709330 0.969285 0.306456 0.097 Uiso 0.552(5) 1 calc R U P A 1 H15B H 0.691111 1.043628 0.371246 0.097 Uiso 0.552(5) 1 calc R U P A 1 H15C H 0.711441 0.908476 0.384192 0.097 Uiso 0.552(5) 1 calc R U P A 1 C16 C 0.5223(6) 1.0432(7) 0.3827(6) 0.0376(16) Uani 0.552(5) 1 d . . P A 1 H16A H 0.465993 1.032438 0.377424 0.045 Uiso 0.552(5) 1 calc R U P A 1 H16B H 0.526165 1.103724 0.346458 0.045 Uiso 0.552(5) 1 calc R U P A 1 C17 C 0.5681(7) 1.0785(10) 0.4620(9) 0.071(3) Uani 0.552(5) 1 d . . P A 1 H17A H 0.546935 1.151568 0.474135 0.107 Uiso 0.552(5) 1 calc R U P A 1 H17B H 0.563722 1.018079 0.497359 0.107 Uiso 0.552(5) 1 calc R U P A 1 H17C H 0.623651 1.089076 0.466519 0.107 Uiso 0.552(5) 1 calc R U P A 1 C14' C 0.6324(7) 0.9242(9) 0.3586(7) 0.0330(14) Uani 0.448(5) 1 d . . P A 2 H14C H 0.640502 0.843009 0.345508 0.040 Uiso 0.448(5) 1 calc R U P A 2 H14D H 0.672862 0.941900 0.407931 0.040 Uiso 0.448(5) 1 calc R U P A 2 C15' C 0.6449(9) 1.0016(15) 0.3003(10) 0.065(3) Uani 0.448(5) 1 d . . P A 2 H15D H 0.698266 0.989991 0.298085 0.097 Uiso 0.448(5) 1 calc R U P A 2 H15E H 0.606195 0.983417 0.250751 0.097 Uiso 0.448(5) 1 calc R U P A 2 H15F H 0.638615 1.082492 0.313290 0.097 Uiso 0.448(5) 1 calc R U P A 2 C16' C 0.5667(7) 1.0389(9) 0.4207(8) 0.0376(16) Uani 0.448(5) 1 d . . P A 2 H16C H 0.555752 1.016406 0.467442 0.045 Uiso 0.448(5) 1 calc R U P A 2 H16D H 0.621523 1.068266 0.435034 0.045 Uiso 0.448(5) 1 calc R U P A 2 C17' C 0.5100(9) 1.1309(12) 0.3791(10) 0.071(3) Uani 0.448(5) 1 d . . P A 2 H17D H 0.515384 1.199113 0.411736 0.107 Uiso 0.448(5) 1 calc R U P A 2 H17E H 0.521513 1.152673 0.333032 0.107 Uiso 0.448(5) 1 calc R U P A 2 H17F H 0.456003 1.101019 0.365311 0.107 Uiso 0.448(5) 1 calc R U P A 2 O8 O 0.5234(8) 0.2754(10) 0.2462(7) 0.113(5) Uani 0.5 1 d D U P B -1 H8B H 0.537(3) 0.298(5) 0.2061(16) 0.169 Uiso 0.5 1 d D U P C -1 H8A H 0.545(5) 0.327(2) 0.2836(15) 0.169 Uiso 0.5 1 d D U P D -1 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 Tb1 0.00694(8) 0.00988(8) 0.00731(7) -0.00037(5) 0.00203(5) 0.00017(5) O1 0.0115(10) 0.0200(12) 0.0107(10) 0.0032(9) 0.0048(8) 0.0014(9) O2 0.0123(11) 0.0379(16) 0.0087(10) 0.0006(10) 0.0016(9) -0.0051(10) O3 0.0477(11) 0.0422(11) 0.0355(10) 0.0024(8) 0.0102(8) -0.0243(9) O4 0.0286(9) 0.0240(9) 0.0193(8) 0.0007(7) 0.0045(7) -0.0079(8) O5 0.0241(9) 0.0271(10) 0.0298(9) 0.0082(7) 0.0125(8) 0.0075(7) O6 0.0197(12) 0.0241(13) 0.0208(12) 0.0070(10) 0.0129(10) 0.0090(10) O7 0.0280(14) 0.0177(13) 0.0175(12) 0.0032(10) 0.0089(10) -0.0028(10) C1 0.0139(14) 0.0137(15) 0.0131(14) -0.0011(11) 0.0027(12) -0.0002(12) C2 0.0266(18) 0.029(2) 0.0065(13) -0.0017(13) 0.0015(12) -0.0090(15) C3 0.0281(11) 0.0266(11) 0.0228(11) 0.0019(8) 0.0075(8) -0.0065(9) C4 0.0263(11) 0.0238(11) 0.0217(10) 0.0008(8) 0.0057(8) -0.0061(8) C5 0.0308(19) 0.0234(19) 0.0098(14) 0.0005(13) 0.0007(13) -0.0114(16) C6 0.0220(17) 0.0185(17) 0.0110(14) 0.0017(12) 0.0032(12) -0.0052(13) C7 0.0093(13) 0.0181(16) 0.0102(13) 0.0002(11) 0.0036(11) 0.0047(11) C8 0.0327(12) 0.0291(12) 0.0266(11) 0.0016(9) 0.0072(9) -0.0079(9) C9 0.0195(10) 0.0208(10) 0.0218(10) 0.0032(8) 0.0095(8) 0.0035(8) C10 0.0220(10) 0.0232(11) 0.0227(10) 0.0045(8) 0.0093(8) 0.0038(8) C11 0.0236(10) 0.0244(11) 0.0230(10) 0.0039(8) 0.0104(8) 0.0037(8) C12 0.0169(16) 0.0211(18) 0.0272(18) 0.0080(14) 0.0136(14) 0.0089(13) N1 0.047(2) 0.0184(16) 0.047(2) 0.0022(15) 0.0272(18) 0.0013(15) C13 0.052(3) 0.023(2) 0.066(3) 0.009(2) 0.042(2) 0.0073(19) C14 0.035(4) 0.025(3) 0.042(4) 0.004(3) 0.017(3) -0.006(3) C15 0.050(6) 0.068(7) 0.080(7) 0.025(5) 0.025(5) -0.006(5) C16 0.036(4) 0.016(3) 0.061(5) -0.007(3) 0.017(3) -0.002(3) C17 0.057(5) 0.039(5) 0.099(8) -0.040(5) 0.001(5) 0.000(4) C14' 0.035(4) 0.025(3) 0.042(4) 0.004(3) 0.017(3) -0.006(3) C15' 0.050(6) 0.068(7) 0.080(7) 0.025(5) 0.025(5) -0.006(5) C16' 0.036(4) 0.016(3) 0.061(5) -0.007(3) 0.017(3) -0.002(3) C17' 0.057(5) 0.039(5) 0.099(8) -0.040(5) 0.001(5) 0.000(4) O8 0.128(10) 0.103(7) 0.106(7) -0.009(7) 0.037(7) 0.012(6) 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' 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' Tb Tb -0.1723 4.1537 '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 O1 Tb1 O2 83.47(8) . 2_655 ? O1 Tb1 O3 103.11(12) . 3_445 ? O2 Tb1 O3 73.94(11) 2_655 3_445 ? O1 Tb1 O4 104.01(9) . 7_666 ? O2 Tb1 O4 145.51(10) 2_655 7_666 ? O3 Tb1 O4 133.99(11) 3_445 7_666 ? O1 Tb1 O5 81.82(9) . . ? O2 Tb1 O5 141.77(10) 2_655 . ? O3 Tb1 O5 75.37(12) 3_445 . ? O4 Tb1 O5 72.57(11) 7_666 . ? O1 Tb1 O6 150.57(8) . 5_666 ? O2 Tb1 O6 77.41(9) 2_655 5_666 ? O3 Tb1 O6 92.93(12) 3_445 5_666 ? O4 Tb1 O6 80.84(10) 7_666 5_666 ? O5 Tb1 O6 126.55(9) . 5_666 ? O1 Tb1 O7 76.09(9) . . ? O2 Tb1 O7 78.06(9) 2_655 . ? O3 Tb1 O7 151.87(11) 3_445 . ? O4 Tb1 O7 71.47(9) 7_666 . ? O5 Tb1 O7 131.18(10) . . ? O6 Tb1 O7 78.18(9) 5_666 . ? O1 Tb1 O5 160.09(8) . 5_666 ? O2 Tb1 O5 112.56(9) 2_655 5_666 ? O3 Tb1 O5 71.97(11) 3_445 5_666 ? O4 Tb1 O5 69.87(9) 7_666 5_666 ? O5 Tb1 O5 78.27(10) . 5_666 ? O6 Tb1 O5 48.94(8) 5_666 5_666 ? O7 Tb1 O5 117.58(9) . 5_666 ? O1 Tb1 C12 174.09(9) . 5_666 ? O2 Tb1 C12 94.38(10) 2_655 5_666 ? O3 Tb1 C12 81.50(12) 3_445 5_666 ? O4 Tb1 C12 74.72(11) 7_666 5_666 ? O5 Tb1 C12 103.09(10) . 5_666 ? O6 Tb1 C12 23.93(9) 5_666 5_666 ? O7 Tb1 C12 98.08(10) . 5_666 ? O5 Tb1 C12 25.03(9) 5_666 5_666 ? C7 O1 Tb1 138.0(2) . . ? C7 O2 Tb1 162.9(2) . 2_655 ? C8 O3 Tb1 136.5(3) . 3 ? C8 O4 Tb1 141.1(3) . 7_666 ? C12 O5 Tb1 171.3(3) . . ? C12 O5 Tb1 82.9(2) . 5_666 ? Tb1 O5 Tb1 101.73(10) . 5_666 ? C12 O6 Tb1 106.1(2) . 5_666 ? C13 O7 Tb1 126.7(3) . . ? C6 C1 C2 119.6(3) . . ? C6 C1 C7 120.8(3) . . ? C2 C1 C7 119.5(3) . . ? C3 C2 C1 120.0(3) . . ? C2 C3 C4 120.2(4) . . ? C3 C4 C5 119.8(4) . . ? C3 C4 C8 121.0(4) . . ? C5 C4 C8 119.0(3) . . ? C6 C5 C4 120.2(3) . . ? C5 C6 C1 120.2(3) . . ? O2 C7 O1 124.3(3) . . ? O2 C7 C1 118.9(3) . . ? O1 C7 C1 116.8(3) . . ? O3 C8 O4 125.2(4) . . ? O3 C8 C4 117.4(4) . . ? O4 C8 C4 117.4(4) . . ? C11 C9 C10 120.3(3) . . ? C11 C9 C12 119.3(3) . . ? C10 C9 C12 120.4(3) . . ? C11 C10 C9 119.3(3) 7_656 . ? C10 C11 C9 120.4(3) 7_656 . ? O6 C12 O5 121.9(3) . . ? O6 C12 C9 117.8(3) . . ? O5 C12 C9 120.2(3) . . ? O6 C12 Tb1 49.94(17) . 5_666 ? O5 C12 Tb1 72.1(2) . 5_666 ? C9 C12 Tb1 167.3(2) . 5_666 ? C13 N1 C14' 119.0(5) . . ? C13 N1 C14 119.7(5) . . ? C13 N1 C16 116.6(5) . . ? C14 N1 C16 116.4(6) . . ? C13 N1 C16' 124.5(6) . . ? C14' N1 C16' 102.0(7) . . ? O7 C13 N1 127.5(4) . . ? N1 C14 C15 115.3(9) . . ? N1 C16 C17 107.5(8) . . ? N1 C14' C15' 114.7(10) . . ? C17' C16' N1 107.6(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 Tb1 O1 2.258(2) . ? Tb1 O2 2.302(2) 2_655 ? Tb1 O3 2.312(3) 3_445 ? Tb1 O4 2.325(3) 7_666 ? Tb1 O5 2.356(3) . ? Tb1 O6 2.365(2) 5_666 ? Tb1 O7 2.411(3) . ? Tb1 O5 2.846(3) 5_666 ? Tb1 C12 2.968(3) 5_666 ? O1 C7 1.282(4) . ? O2 C7 1.233(4) . ? O3 C8 1.258(5) . ? O4 C8 1.260(5) . ? O5 C12 1.265(4) . ? O6 C12 1.253(4) . ? O7 C13 1.212(5) . ? C1 C6 1.393(4) . ? C1 C2 1.397(5) . ? C1 C7 1.496(5) . ? C2 C3 1.387(5) . ? C3 C4 1.390(5) . ? C4 C5 1.392(5) . ? C4 C8 1.501(6) . ? C5 C6 1.385(5) . ? C9 C11 1.393(5) . ? C9 C10 1.394(5) . ? C9 C12 1.505(5) . ? C10 C11 1.387(5) 7_656 ? N1 C13 1.312(6) . ? N1 C14' 1.432(11) . ? N1 C14 1.465(9) . ? N1 C16 1.475(9) . ? N1 C16' 1.548(12) . ? C14 C15 1.493(15) . ? C16 C17 1.496(16) . ? C14' C15' 1.480(17) . ? C16' C17' 1.498(19) . ?