#------------------------------------------------------------------------------ #$Date: 2023-07-05 13:11:37 +0300 (Wed, 05 Jul 2023) $ #$Revision: 284923 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/24/68/7246844.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_7246844 loop_ _publ_author_name 'Andrienko, Irina V.' 'Rakhmanova, Mariana I.' 'Samsonenko, Denis G.' 'Kovalenko, Ekaterina A.' _publ_section_title ; Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application ; _journal_issue 23 _journal_name_full CrystEngComm _journal_page_first 3460 _journal_page_last 3471 _journal_paper_doi 10.1039/D3CE00301A _journal_volume 25 _journal_year 2023 _chemical_formula_sum 'C36 H92 N32 O63 Yb2' _chemical_formula_weight 2327.49 _space_group_crystal_system trigonal _space_group_IT_number 148 _space_group_name_Hall '-R 3' _space_group_name_H-M_alt 'R -3 :H' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary dual _atom_sites_solution_secondary difmap _audit_creation_method SHELXL-2018/3 _audit_update_record ; 2023-03-09 deposited with the CCDC. 2023-05-25 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 9 _cell_length_a 25.7946(4) _cell_length_b 25.7946(4) _cell_length_c 31.7638(6) _cell_measurement_reflns_used 9222 _cell_measurement_temperature 150(2) _cell_measurement_theta_max 28.66 _cell_measurement_theta_min 2.23 _cell_volume 18302.9(5) _computing_cell_refinement 'SAINT (Bruker-AXS, 2016)' _computing_data_collection 'APEX3 (Bruker-AXS, 2016)' _computing_data_reduction 'SAINT (Bruker-AXS, 2016)' _computing_molecular_graphics 'ShelXle (H\"ubschle, 2011)' _computing_publication_material 'CIFTAB (Sheldrick, 2015)' _computing_structure_refinement 'SHELXL-2018 (Sheldrick, 2015)' _computing_structure_solution 'SHELXT-2018 (Sheldrick, 2015)' _diffrn_ambient_temperature 150(2) _diffrn_detector PIXEL _diffrn_detector_area_resol_mean 7.41 _diffrn_detector_type 'Bruker PHOTON III area detector' _diffrn_measured_fraction_theta_full 0.998 _diffrn_measured_fraction_theta_max 0.997 _diffrn_measurement_device 'three-circle diffractometer' _diffrn_measurement_device_type 'Bruker D8 Venture diffractometer' _diffrn_measurement_method '\w and \f scans' _diffrn_radiation_monochromator 'Incoatec HELIOS multilayer mirrors' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0533 _diffrn_reflns_av_unetI/netI 0.0295 _diffrn_reflns_Laue_measured_fraction_full 0.998 _diffrn_reflns_Laue_measured_fraction_max 0.997 _diffrn_reflns_limit_h_max 34 _diffrn_reflns_limit_h_min -34 _diffrn_reflns_limit_k_max 34 _diffrn_reflns_limit_k_min -34 _diffrn_reflns_limit_l_max 42 _diffrn_reflns_limit_l_min -42 _diffrn_reflns_number 95542 _diffrn_reflns_point_group_measured_fraction_full 0.998 _diffrn_reflns_point_group_measured_fraction_max 0.997 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 28.704 _diffrn_reflns_theta_min 1.573 _diffrn_source 'Incoatec IuS3.0 microfocus X-ray tube' _exptl_absorpt_coefficient_mu 2.426 _exptl_absorpt_correction_T_max 0.7458 _exptl_absorpt_correction_T_min 0.7077 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., J. Appl. Cryst. 48 (2015) 3-10 ; _exptl_crystal_colour colorless _exptl_crystal_density_diffrn 1.900 _exptl_crystal_description block _exptl_crystal_F_000 10584 _exptl_crystal_size_max 0.100 _exptl_crystal_size_mid 0.100 _exptl_crystal_size_min 0.100 _refine_diff_density_max 1.309 _refine_diff_density_min -0.845 _refine_diff_density_rms 0.122 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.083 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 770 _refine_ls_number_reflns 10486 _refine_ls_number_restraints 388 _refine_ls_restrained_S_all 1.090 _refine_ls_R_factor_all 0.0455 _refine_ls_R_factor_gt 0.0334 _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^)+(0.0544P)^2^+52.7150P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0923 _refine_ls_wR_factor_ref 0.0963 _reflns_Friedel_coverage 0.000 _reflns_number_gt 8714 _reflns_number_total 10486 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d3ce00301a2.cif _cod_data_source_block km785-5 _cod_depositor_comments 'Adding full bibliography for 7246836--7246844.cif.' _cod_original_cell_volume 18302.9(7) _cod_database_code 7246844 _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 0.793 _shelx_estimated_absorpt_t_max 0.793 _shelx_res_file ; TITL km785-5 in R-3; 150K; D8 Venture km785-5.res created by SHELXL-2018/3 at 10:35:40 on 16-Feb-2023 CELL 0.71073 25.7946 25.7946 31.7638 90.000 90.000 120.000 ZERR 9.00 0.0004 0.0004 0.0006 0.000 0.000 0.000 LATT 3 SYMM -Y, X-Y, Z SYMM -X+Y, -X, Z SFAC C H N O YB UNIT 324 828 288 567 18 LIST 4 ! automatically inserted. Change 6 to 4 for CHECKCIF!! TEMP -123 L.S. 6 BOND $H FMAP 2 PLAN 5 OMIT 0 OMIT 0 3 0 OMIT -1 5 6 OMIT 1 4 6 OMIT 0 1 5 OMIT -4 4 1 OMIT -1 1 7 OMIT -2 4 3 OMIT 0 3 9 OMIT 2 2 3 OMIT 7 9 37 OMIT -11 24 31 OMIT -9 23 31 OMIT 0 21 30 OMIT 2 21 29 OMIT 4 25 18 OMIT -24 28 17 OMIT -2 26 17 OMIT -28 28 16 OMIT -2 27 16 OMIT -33 18 12 OMIT -22 34 1 OMIT -1 2 6 OMIT 1 1 6 OMIT -2 4 0 OMIT 0 0 6 SUMP 1.00 0.000001 1.0 2 1.0 3 1.0 4 SIMU 0.003 0.005 3.0 O7W O8W O9W SADI 0.01 N4 O41N N4 O42N N4 O43N N4 O41' N5 O51N N5 O52N N5 O53N = N6 O61N N6 O62N N6 O63N N7 O71N N7 O72N N7 O73N SADI 0.01 O41N O42N O42N O43N O42N O41N O41' O42N O41' O43N = O51N O52N O52N O53N O52N O51N O61N O62N O62N O63N O63N O61N = O71N O72N O72N O73N O73N O71N SIMU 0.01 0.01 N4 > O53N FREE O41N O41' FLAT 0.03 N5 O51N O52N O53N FLAT 0.03 N6 O61N O62N O63N FLAT 0.03 N7 O71N O72N O73N SIMU 0.01 0.01 N6 O61N O62N O63N SIMU 0.001 0.003 N7 O71N O72N O73N ISOR 0.01 0.01 O10W O7W O8W O11W ISOR 0.005 0.007 N7 O71N O72N O73N O63N ACTA SIZE 0.10 0.10 0.10 WGHT 0.054400 52.715000 FVAR 0.01534 0.36269 0.46389 0.17342 0.67656 YB1 5 0.381432 0.366673 0.664131 11.00000 0.01852 0.02324 = 0.01711 -0.00015 0.00021 0.00909 O1M 4 0.429768 0.470587 0.669752 11.00000 0.05166 0.03019 = 0.03383 -0.00478 -0.00336 0.01014 O2M 4 0.410577 0.400035 0.596730 11.00000 0.03489 0.03714 = 0.01873 0.00238 -0.00047 0.01197 O3M 4 0.308315 0.392481 0.659964 11.00000 0.03928 0.06136 = 0.05515 -0.01096 -0.00873 0.03426 O4M 4 0.312157 0.297148 0.615638 11.00000 0.03162 0.04076 = 0.03230 -0.00804 -0.00692 0.00817 O5M 4 0.484926 0.403903 0.663800 11.00000 0.02069 0.04605 = 0.04328 0.01627 0.00225 0.01235 O6M 4 0.403163 0.388690 0.734819 11.00000 0.03257 0.04103 = 0.01771 0.00156 0.00089 0.01107 O7M 4 0.303121 0.293685 0.704918 11.00000 0.02931 0.03590 = 0.03373 -0.00538 0.00988 0.00438 O8M 4 0.397085 0.287521 0.667106 11.00000 0.03933 0.03362 = 0.07271 -0.00525 -0.00507 0.02245 O11 4 0.490758 0.748871 0.595863 11.00000 0.04978 0.03294 = 0.01731 0.00222 0.00457 0.01764 O12 4 0.478742 0.744369 0.406324 11.00000 0.04495 0.02884 = 0.02028 -0.00875 -0.01582 0.02209 C11 1 0.513550 0.761462 0.560467 11.00000 0.02962 0.02303 = 0.01487 -0.00205 -0.00526 0.01014 C12 1 0.506054 0.758468 0.439860 11.00000 0.02733 0.02181 = 0.01904 -0.00076 -0.00373 0.01390 C13 1 0.560577 0.757529 0.498516 11.00000 0.02439 0.01939 = 0.01435 -0.00238 -0.00584 0.01128 AFIX 13 H13 2 0.602889 0.766197 0.496830 11.00000 -1.20000 AFIX 0 C14 1 0.556606 0.815704 0.498880 11.00000 0.02257 0.01789 = 0.01659 -0.00076 -0.00266 0.00924 AFIX 13 H14 2 0.597132 0.852384 0.497837 11.00000 -1.20000 AFIX 0 N11 3 0.532321 0.729144 0.537968 11.00000 0.03412 0.01861 = 0.01648 0.00031 -0.00358 0.01240 N12 3 0.526120 0.811460 0.538180 11.00000 0.02922 0.02413 = 0.01426 -0.00006 -0.00053 0.01484 N13 3 0.521965 0.809974 0.461736 11.00000 0.03003 0.01923 = 0.01667 -0.00265 -0.00611 0.01477 N14 3 0.526213 0.726245 0.461487 11.00000 0.02791 0.02034 = 0.01706 -0.00401 -0.00689 0.01321 C15 1 0.516797 0.858374 0.554289 11.00000 0.02800 0.02558 = 0.01461 -0.00475 -0.00502 0.01385 AFIX 23 H15A 2 0.553302 0.897412 0.549054 11.00000 -1.20000 H15B 2 0.510984 0.853424 0.585142 11.00000 -1.20000 AFIX 0 C16 1 0.518476 0.859679 0.443634 11.00000 0.02230 0.01935 = 0.01505 0.00340 0.00368 0.01193 AFIX 23 H16A 2 0.556152 0.897238 0.449815 11.00000 -1.20000 H16B 2 0.515029 0.854766 0.412669 11.00000 -1.20000 AFIX 0 O21 4 0.401684 0.816911 0.592339 11.00000 0.03594 0.06065 = 0.01456 0.01031 0.00484 0.02267 O22 4 0.405111 0.823174 0.402198 11.00000 0.02719 0.02951 = 0.01687 -0.00682 -0.00188 0.01420 C21 1 0.414228 0.842440 0.557883 11.00000 0.02578 0.03109 = 0.01478 -0.00240 -0.00046 0.01056 C22 1 0.417396 0.847312 0.436951 11.00000 0.02137 0.01663 = 0.01662 0.00085 0.00167 0.00753 C23 1 0.469733 0.894073 0.498542 11.00000 0.01940 0.02059 = 0.01466 -0.00155 0.00051 0.00996 AFIX 13 H23 2 0.504377 0.935876 0.500053 11.00000 -1.20000 AFIX 0 C24 1 0.408891 0.892771 0.498401 11.00000 0.02077 0.01810 = 0.01483 -0.00133 0.00026 0.00824 AFIX 13 H24 2 0.414483 0.934011 0.499408 11.00000 -1.20000 AFIX 0 N21 3 0.465818 0.859546 0.535844 11.00000 0.02324 0.02793 = 0.01396 -0.00051 0.00047 0.01358 N22 3 0.379472 0.858834 0.535874 11.00000 0.02062 0.03046 = 0.01394 -0.00023 0.00226 0.01084 N23 3 0.381853 0.862794 0.459162 11.00000 0.01860 0.02415 = 0.01121 -0.00325 -0.00110 0.00977 N24 3 0.468749 0.865135 0.459068 11.00000 0.02071 0.02259 = 0.01341 -0.00249 0.00001 0.01181 C25 1 0.325231 0.854377 0.553233 11.00000 0.02072 0.03376 = 0.01732 -0.00878 0.00111 0.00927 AFIX 23 H25A 2 0.326454 0.851943 0.584290 11.00000 -1.20000 H25B 2 0.324295 0.891278 0.546158 11.00000 -1.20000 AFIX 0 C26 1 0.324955 0.852466 0.443641 11.00000 0.01972 0.02059 = 0.01522 0.00015 -0.00040 0.00863 AFIX 23 H26A 2 0.324124 0.847922 0.412660 11.00000 -1.20000 H26B 2 0.321239 0.888066 0.449909 11.00000 -1.20000 AFIX 0 O31 4 0.408369 0.826286 0.264764 11.00000 0.03315 0.03894 = 0.01565 0.00486 0.00030 0.01993 O32 4 0.402071 0.811013 0.075210 11.00000 0.02695 0.03822 = 0.01821 -0.00903 -0.00272 0.01454 C31 1 0.420440 0.849442 0.229490 11.00000 0.02608 0.02147 = 0.01762 -0.00302 -0.00299 0.01316 C32 1 0.415191 0.838073 0.108707 11.00000 0.02283 0.02287 = 0.01861 0.00145 -0.00001 0.01079 C33 1 0.471496 0.893170 0.166815 11.00000 0.02374 0.02137 = 0.01542 -0.00057 -0.00046 0.01114 AFIX 13 H33 2 0.505865 0.935041 0.164574 11.00000 -1.20000 AFIX 0 C34 1 0.410421 0.891329 0.166797 11.00000 0.02260 0.01975 = 0.01550 0.00131 0.00056 0.00932 AFIX 13 H34 2 0.415656 0.932322 0.164261 11.00000 -1.20000 AFIX 0 N31 3 0.471177 0.865999 0.207033 11.00000 0.02432 0.02663 = 0.01497 0.00184 -0.00010 0.01425 N32 3 0.384488 0.864075 0.206998 11.00000 0.02171 0.02423 = 0.01460 0.00141 0.00025 0.01070 N33 3 0.380057 0.854642 0.130432 11.00000 0.02157 0.02594 = 0.01501 -0.00210 -0.00386 0.01245 N34 3 0.467487 0.857647 0.130402 11.00000 0.02055 0.02608 = 0.01601 -0.00329 -0.00168 0.01143 C35 1 0.326857 0.853125 0.221330 11.00000 0.02272 0.02108 = 0.01568 -0.00187 0.00097 0.00936 AFIX 23 H35A 2 0.323120 0.888636 0.214765 11.00000 -1.20000 H35B 2 0.324974 0.848374 0.252315 11.00000 -1.20000 AFIX 0 C36 1 0.328390 0.853318 0.111833 11.00000 0.02126 0.02547 = 0.01769 0.00554 0.00057 0.01098 AFIX 23 H36A 2 0.330593 0.850395 0.080876 11.00000 -1.20000 H36B 2 0.329755 0.891562 0.118167 11.00000 -1.20000 AFIX 0 N1 3 0.541610 0.535315 0.587719 11.00000 0.02861 0.02715 = 0.02119 0.00139 0.00284 0.01385 O11N 4 0.552942 0.512479 0.618807 11.00000 0.03788 0.04086 = 0.03051 0.01249 -0.00288 0.01259 O12N 4 0.494845 0.504706 0.566870 11.00000 0.03228 0.04057 = 0.03736 0.00837 -0.01228 0.00709 O13N 4 0.578760 0.586161 0.575921 11.00000 0.03826 0.02659 = 0.03787 0.00868 -0.00439 0.00940 N2 3 0.536932 0.534715 0.751009 11.00000 0.03125 0.02461 = 0.01981 -0.00043 -0.00165 0.01170 O21N 4 0.538143 0.531232 0.712045 11.00000 0.07910 0.05158 = 0.02166 -0.00528 0.00562 -0.02041 O22N 4 0.578445 0.577873 0.769476 11.00000 0.02702 0.02533 = 0.03067 -0.00726 -0.00694 0.01073 O23N 4 0.493779 0.494267 0.771240 11.00000 0.02534 0.03512 = 0.02703 -0.00008 0.00342 0.01097 N3 3 0.336860 0.334315 0.495576 11.00000 0.02152 0.02026 = 0.02453 -0.00010 0.00089 0.00793 O31N 4 0.365665 0.380799 0.516989 11.00000 0.03887 0.02627 = 0.02502 -0.00779 -0.00230 0.00996 O32N 4 0.305036 0.333085 0.465984 11.00000 0.03326 0.03441 = 0.02624 0.00005 -0.00787 0.01164 O33N 4 0.340501 0.289598 0.504143 11.00000 0.05564 0.02813 = 0.09903 -0.00561 -0.02989 0.02323 PART 1 N4 3 0.328197 0.166956 0.594222 50.80000 0.06631 0.03120 = 0.02900 -0.00101 -0.00210 0.01761 O41N 4 0.293118 0.147382 0.624542 50.40000 0.08390 0.04687 = 0.04911 0.00669 0.02360 0.02195 O41' 4 0.338450 0.174934 0.633395 50.40000 0.06501 0.03899 = 0.01890 0.00121 -0.00414 0.03802 O42N 4 0.340896 0.131129 0.576449 50.80000 0.08172 0.05488 = 0.04671 -0.00541 0.01920 0.02503 O43N 4 0.329407 0.208143 0.573098 50.80000 0.04932 0.05481 = 0.02669 0.01644 -0.00064 0.01852 PART 2 -50.8 N5 3 0.342967 0.170352 0.593275 -50.80000 0.07378 0.03721 = 0.02888 0.00343 -0.00552 0.01709 O51N 4 0.390331 0.198008 0.614556 -50.80000 0.06393 0.04079 = 0.03741 0.00480 -0.01665 0.02539 O52N 4 0.319886 0.199628 0.579553 -50.80000 0.06516 0.05068 = 0.03045 0.00043 -0.00192 0.02317 O53N 4 0.316889 0.115497 0.585734 -50.80000 0.08138 0.03011 = 0.03543 0.00096 0.00130 0.00937 PART 0 O1W 4 0.511455 0.310027 0.667295 11.00000 0.04986 0.04985 = 0.02184 0.00041 -0.00085 0.03300 O2W 4 0.446195 0.797623 0.333488 11.00000 0.05022 0.04528 = 0.01814 0.00157 0.00000 0.03033 O3W 4 0.562834 0.851504 0.332864 11.00000 0.08038 0.05559 = 0.06012 -0.01347 -0.00108 0.03826 PART -1 O4W 4 0.372389 0.686448 0.333537 10.33333 0.04526 0.03074 = 0.03603 0.00026 0.00700 0.02142 O5W 4 0.308559 0.656121 0.401637 10.33333 0.04607 0.03415 = 0.03660 0.00670 0.00148 0.01077 O6W 4 0.306388 0.654385 0.267011 10.33333 0.05087 0.04589 = 0.03868 -0.00148 0.00201 0.02125 PART 1 21.0 O7W 4 0.320249 0.497533 0.666848 21.00000 0.07586 0.04707 = 0.01397 -0.00407 -0.00426 0.05463 PART 2 31.0 O8W 4 0.368727 0.528151 0.664671 31.00000 0.08145 0.04333 = 0.01567 -0.00281 -0.00368 0.04674 PART 3 41.0 O9W 4 0.460217 0.578974 0.661953 41.00000 0.07434 0.04143 = 0.01228 -0.00445 -0.00225 0.04894 PART -1 O10W 4 0.322927 0.629357 0.589999 10.33333 0.09694 0.06269 = 0.07850 -0.01160 -0.01013 0.04566 O11W 4 0.330311 0.715794 0.633701 10.16667 0.06934 0.04351 = 0.07369 0.00303 0.00509 0.04888 PART -1 10.12 N6 3 0.309552 0.686553 0.169057 10.12000 0.04750 0.05173 = 0.03391 -0.00264 0.00695 0.02531 O61N 4 0.310172 0.690089 0.129895 10.12000 0.04611 0.05362 = 0.03437 -0.00181 0.01110 0.02579 O62N 4 0.267744 0.642677 0.186832 10.12000 0.04931 0.04944 = 0.02981 0.00714 0.00830 0.02874 O63N 4 0.350545 0.727200 0.189751 10.12000 0.04551 0.04615 = 0.04042 -0.00550 0.00101 0.02538 PART -1 10.08 N7 3 0.374201 0.680493 0.501649 10.08000 0.03670 0.03539 = 0.03070 -0.00957 0.00766 0.01554 O71N 4 0.349065 0.710611 0.498419 10.08000 0.03647 0.03456 = 0.02916 -0.01260 0.00740 0.01374 O72N 4 0.365281 0.641520 0.474947 10.08000 0.03726 0.03458 = 0.03020 -0.01074 0.00887 0.01741 O73N 4 0.407660 0.688392 0.531833 10.08000 0.03918 0.03722 = 0.03299 -0.00801 0.00831 0.01321 PART 0 HKLF 4 REM km785-5 in R-3; 150K; D8 Venture REM wR2 = 0.0963, GooF = S = 1.083, Restrained GooF = 1.090 for all data REM R1 = 0.0334 for 8714 Fo > 4sig(Fo) and 0.0455 for all 10486 data REM 770 parameters refined using 388 restraints END WGHT 0.0544 52.7158 REM Highest difference peak 1.309, deepest hole -0.845, 1-sigma level 0.122 Q1 1 0.3840 0.6970 0.5277 11.00000 0.05 1.31 Q2 1 0.5336 0.5361 0.6251 11.00000 0.05 1.12 Q3 1 0.3442 0.5234 0.6644 11.00000 0.05 1.01 Q4 1 0.2739 0.6072 0.2824 11.00000 0.05 0.96 Q5 1 0.3329 0.6264 0.4682 11.00000 0.05 0.90 ; _shelx_res_checksum 59178 _shelx_hkl_file ; -3 3 0 44.68 1.11 -3 3 0 46.70 1.27 0 -3 0 45.28 1.16 -3 3 0 45.55 1.20 0 -3 0 44.34 1.20 3 0 0 46.75 1.29 3 0 0 45.41 1.24 -3 0 0 45.12 1.23 3 -3 0 45.45 1.21 -3 0 0 45.53 1.30 3 -3 0 45.26 1.10 0 3 0 43.86 1.19 3 -3 0 46.52 1.26 0 3 0 45.04 1.16 2 -4 0 103.19 2.47 -4 2 0 106.84 2.49 2 2 0 101.81 2.51 2 2 0 101.90 2.46 2 -4 0 103.19 2.38 -4 2 0 100.57 2.57 4 -2 0 101.47 2.55 -2 4 0 101.21 2.38 -2 -2 0 101.31 2.52 -2 4 0 104.32 2.46 -2 4 0 103.88 2.42 4 -2 0 101.60 2.49 -2 -2 0 101.70 2.46 1 4 0 61.80 1.71 -5 1 0 62.02 1.73 -5 1 0 62.69 1.85 4 -5 0 61.94 1.74 1 4 0 64.02 1.67 5 -1 0 61.27 1.80 -4 5 0 63.77 1.74 -4 5 0 61.69 1.63 -4 5 0 63.31 1.67 -4 5 0 62.04 1.58 5 -1 0 64.93 1.76 -1 -4 0 62.01 1.65 -1 -4 0 61.10 1.71 1 -5 0 138.05 3.37 -5 4 0 141.07 3.10 1 -5 0 139.00 3.26 -5 4 0 148.17 3.37 4 1 0 136.89 3.46 -5 4 0 139.51 3.46 4 1 0 143.46 3.41 -4 -1 0 142.64 3.39 -1 5 0 144.35 3.26 5 -4 0 138.51 3.45 5 -4 0 140.80 3.37 -4 -1 0 137.14 3.48 5 -4 0 140.61 3.12 -1 5 0 136.62 3.33 -6 3 0 402.39 9.05 3 -6 0 402.88 9.04 -6 3 0 404.60 9.21 3 -6 0 409.62 8.89 3 3 0 417.58 9.04 3 3 0 400.13 9.11 -3 -3 0 413.60 9.16 -3 -3 0 403.87 9.02 6 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9.27 1.10 -13 17 0 7.54 0.75 17 -4 0 7.89 1.03 -13 17 0 7.93 0.64 -4 -13 0 7.09 0.72 -13 17 0 8.08 0.73 -13 17 0 8.39 0.71 -17 7 0 14.66 1.07 10 -17 0 16.22 1.16 7 10 0 14.69 1.11 7 10 0 13.25 0.89 -17 7 0 13.78 1.23 7 10 0 13.27 1.00 17 -7 0 14.94 1.13 -10 17 0 15.57 0.98 -7 -10 0 14.64 1.01 -7 -10 0 16.13 1.24 17 -7 0 14.31 1.12 -10 17 0 14.41 0.97 -10 17 0 14.41 0.89 -10 17 0 13.99 0.89 10 7 0 0.84 0.37 10 7 0 0.95 0.34 10 7 0 0.40 0.21 -17 10 0 0.59 0.31 7 -17 0 0.81 0.28 7 -17 0 1.05 0.40 -17 10 0 0.40 0.32 -7 17 0 0.45 0.25 -10 -7 0 0.42 0.33 -10 -7 0 0.60 0.40 -7 17 0 0.40 0.26 17 -10 0 0.50 0.37 17 -10 0 0.91 0.37 -7 17 0 0.74 0.28 13 4 0 67.98 2.10 13 4 0 70.20 2.72 -17 13 0 67.31 2.50 4 -17 0 67.23 2.43 -17 13 0 72.29 2.91 4 -17 0 68.50 2.67 -17 13 0 68.85 1.85 13 4 0 63.66 2.68 -4 17 0 66.87 2.46 17 -13 0 71.95 2.73 -13 -4 0 66.37 2.59 17 -13 0 64.65 2.65 -4 17 0 68.52 2.29 -13 -4 0 68.35 2.98 -17 16 0 32.38 1.61 16 1 0 31.87 1.87 -17 16 0 34.24 1.86 1 -17 0 33.06 1.70 16 1 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1.66 -18 12 0 32.82 1.67 6 -18 0 31.15 1.69 6 -18 0 33.04 1.54 12 6 0 32.96 1.36 12 6 0 31.65 1.72 -18 12 0 33.19 1.93 18 -12 0 32.58 1.79 -12 -6 0 31.30 1.67 18 -12 0 33.66 1.80 -12 -6 0 33.24 1.93 -6 18 0 32.64 1.57 -6 18 0 35.31 1.46 3 -18 0 21.78 1.31 3 -18 0 23.20 1.22 15 3 0 23.36 1.53 15 3 0 21.27 0.97 -18 15 0 21.06 1.51 15 3 0 20.54 1.44 -18 15 0 23.89 1.38 -18 15 0 21.71 0.89 3 -18 0 21.60 1.45 -15 -3 0 22.44 1.69 18 -15 0 22.58 1.46 -3 18 0 21.74 1.30 18 -15 0 23.36 1.53 -3 18 0 23.71 1.42 -15 -3 0 23.06 1.45 18 0 0 23.08 1.67 0 -18 0 22.15 1.45 0 -18 0 24.81 1.35 -18 18 0 23.89 1.08 0 -18 0 24.18 1.61 18 0 0 24.41 1.64 -18 18 0 24.97 1.58 -18 18 0 24.11 1.42 18 0 0 22.81 0.87 -18 18 0 22.13 1.36 0 18 0 21.78 1.29 -18 0 0 22.76 1.78 -18 0 0 23.84 1.50 18 -18 0 22.44 1.49 0 18 0 21.08 1.36 -19 2 0 6.37 0.98 -19 2 0 4.99 1.02 2 17 0 4.12 0.69 17 -19 0 5.40 0.87 2 17 0 4.83 0.72 -17 19 0 5.00 0.58 -2 -17 0 4.41 0.77 -2 -17 0 3.64 0.74 -17 19 0 5.70 0.79 19 -2 0 5.05 0.30 -17 19 0 5.70 0.86 19 -2 0 5.26 0.92 -17 19 0 5.23 0.75 19 -2 0 3.72 0.80 -2 -17 0 4.61 0.71 14 -19 0 0.60 0.32 -19 5 0 0.94 0.53 5 14 0 0.35 0.28 5 14 0 0.19 0.28 -19 5 0 0.82 0.47 -5 -14 0 0.30 0.37 -14 19 0 0.74 0.37 -5 -14 0 0.82 0.37 19 -5 0 0.57 0.47 -14 19 0 0.65 0.33 -14 19 0 0.13 0.19 -14 19 0 0.36 0.24 19 -5 0 0.48 0.35 -19 8 0 6.22 0.89 11 -19 0 8.78 1.08 -19 8 0 8.24 1.21 8 11 0 9.40 1.15 8 11 0 6.89 0.79 8 11 0 9.20 0.87 -11 19 0 8.24 0.78 19 -8 0 8.69 1.06 19 -8 0 7.70 1.06 -8 -11 0 8.70 0.88 -11 19 0 7.97 0.71 -11 19 0 9.25 0.79 -8 -11 0 6.94 1.08 -19 11 0 5.78 0.77 8 -19 0 7.04 0.90 -19 11 0 7.24 1.10 11 8 0 5.37 0.63 11 8 0 7.19 1.05 11 8 0 6.59 0.94 8 -19 0 5.38 0.86 -8 19 0 8.06 0.91 19 -11 0 5.04 0.83 -11 -8 0 6.23 0.86 19 -11 0 6.88 0.98 -8 19 0 6.74 0.62 -11 -8 0 7.42 1.11 5 -19 0 61.46 2.41 -19 14 0 65.97 2.56 14 5 0 63.36 2.70 -19 14 0 62.93 2.85 14 5 0 63.95 2.08 5 -19 0 61.25 2.61 5 -19 0 61.92 2.27 14 5 0 60.91 2.73 -14 -5 0 66.05 2.67 -5 19 0 67.51 2.50 -14 -5 0 65.72 3.03 19 -14 0 63.52 2.69 -5 19 0 62.77 3.13 19 -14 0 64.71 2.72 17 2 0 6.28 0.93 -19 17 0 6.41 0.86 2 -19 0 6.53 0.89 -19 17 0 4.76 0.47 2 -19 0 5.25 0.89 2 -19 0 7.04 0.86 17 2 0 5.02 0.46 17 2 0 6.42 1.09 -19 17 0 5.63 0.80 -19 17 0 4.08 0.77 -2 19 0 7.11 0.91 19 -17 0 5.50 0.92 -2 19 0 5.85 0.73 -17 -2 0 5.06 0.85 -17 -2 0 6.23 1.12 -20 1 0 4.79 1.04 19 -20 0 4.84 0.85 1 19 0 3.17 0.62 -20 1 0 1.99 0.59 1 19 0 2.76 0.55 -19 20 0 3.86 0.66 -1 -19 0 2.76 0.76 20 -1 0 4.11 0.80 -19 20 0 3.04 0.48 20 -1 0 3.44 0.34 -1 -19 0 3.34 0.65 -19 20 0 3.11 0.59 -19 20 0 4.67 0.83 -1 -19 0 4.13 0.83 20 -1 0 3.92 0.89 4 16 0 35.16 1.77 -20 4 0 37.51 1.98 4 16 0 34.15 1.73 -20 4 0 36.80 2.35 16 -20 0 37.83 1.94 -4 -16 0 35.82 2.01 -16 20 0 33.84 1.81 20 -4 0 31.35 1.99 -16 20 0 35.45 1.67 -16 20 0 35.23 1.53 20 -4 0 36.90 2.08 -4 -16 0 35.73 1.97 -4 -16 0 35.18 1.76 -16 20 0 34.38 1.66 7 13 0 45.78 1.98 -20 7 0 45.97 2.55 13 -20 0 50.07 2.27 7 13 0 47.66 2.15 -20 7 0 48.06 2.60 7 13 0 45.80 2.21 -7 -13 0 48.08 2.14 20 -7 0 48.53 2.39 -13 20 0 47.53 1.98 -13 20 0 48.11 2.19 -7 -13 0 50.97 2.46 20 -7 0 45.29 2.32 -13 20 0 49.89 2.10 -13 20 0 47.14 1.91 10 -20 0 3.02 0.61 10 10 0 2.37 0.67 10 -20 0 3.06 0.52 10 10 0 3.56 0.56 -20 10 0 2.76 0.79 -20 10 0 3.24 0.66 10 10 0 2.28 0.60 -10 20 0 2.62 0.52 -10 20 0 3.00 0.57 20 -10 0 3.11 0.70 -10 -10 0 3.11 0.74 20 -10 0 1.66 0.59 -10 -10 0 3.45 0.67 -10 20 0 3.47 0.55 -20 13 0 11.09 1.03 7 -20 0 11.73 0.88 13 7 0 12.92 1.12 -20 13 0 12.96 1.27 7 -20 0 12.57 0.97 13 7 0 13.58 0.88 7 -20 0 12.55 1.15 13 7 0 11.35 1.29 -13 -7 0 10.31 1.32 20 -13 0 12.15 1.12 -7 20 0 13.18 1.06 -13 -7 0 12.36 1.07 20 -13 0 11.99 1.18 -7 20 0 15.38 1.93 -20 16 0 1.61 0.50 4 -20 0 2.00 0.41 4 -20 0 2.30 0.58 16 4 0 1.22 0.50 -20 16 0 2.52 0.62 16 4 0 1.70 0.35 16 4 0 1.23 0.47 -20 16 0 1.94 0.29 4 -20 0 1.37 0.43 -16 -4 0 1.91 0.57 -16 -4 0 1.51 0.56 20 -16 0 2.48 0.68 20 -16 0 1.95 0.60 -4 20 0 2.59 0.48 -4 20 0 2.16 0.55 -20 19 0 15.12 0.83 19 1 0 11.74 1.19 -20 19 0 13.05 1.12 1 -20 0 17.13 1.31 -20 19 0 14.03 1.33 1 -20 0 15.71 1.37 -20 19 0 16.02 1.20 19 1 0 15.13 0.73 19 1 0 13.67 1.39 1 -20 0 12.45 1.06 20 -19 0 12.29 1.23 -1 20 0 14.41 1.17 -19 -1 0 15.09 1.27 -1 20 0 14.88 1.06 -19 -1 0 15.30 1.55 -21 3 0 20.27 1.71 18 -21 0 19.79 1.48 -21 3 0 20.27 1.82 3 18 0 20.05 1.36 3 18 0 22.19 1.38 -3 -18 0 21.65 1.66 -3 -18 0 22.57 1.42 -18 21 0 22.89 1.38 -18 21 0 21.77 1.17 -18 21 0 24.47 1.55 21 -3 0 21.18 1.70 -3 -18 0 18.30 1.45 -18 21 0 19.23 1.28 21 -3 0 21.31 1.59 15 -21 0 11.76 1.12 6 15 0 13.09 1.03 -21 6 0 11.52 1.18 6 15 0 12.66 1.07 -21 6 0 13.05 1.66 -15 21 0 13.00 0.95 -15 21 0 12.31 0.99 21 -6 0 14.52 1.30 -15 21 0 13.21 0.98 -6 -15 0 12.77 1.09 -15 21 0 13.04 1.06 -6 -15 0 13.52 1.29 21 -6 0 13.26 1.23 -21 9 0 5.71 1.02 9 12 0 6.04 0.95 9 12 0 5.02 0.62 9 12 0 7.10 0.99 -21 9 0 5.63 0.89 12 -21 0 5.43 0.89 21 -9 0 6.68 1.10 -9 -12 0 5.37 1.00 -12 21 0 5.80 0.77 -12 21 0 7.02 0.81 -9 -12 0 6.28 0.90 -12 21 0 5.48 0.70 21 -9 0 7.26 1.12 -12 21 0 4.95 0.78 9 -21 0 24.38 1.26 12 9 0 24.30 1.27 -21 12 0 23.50 1.51 9 -21 0 21.91 1.53 -21 12 0 26.36 1.84 12 9 0 21.72 1.57 12 9 0 22.04 1.52 -12 -9 0 25.53 1.79 21 -12 0 25.36 1.69 -12 -9 0 19.36 1.81 -9 21 0 25.24 1.46 21 -12 0 21.74 1.56 -9 21 0 22.36 1.57 15 6 0 3.50 0.74 6 -21 0 2.81 0.53 15 6 0 3.33 0.72 -21 15 0 3.56 0.75 6 -21 0 3.62 0.73 15 6 0 3.68 0.55 -21 15 0 3.34 0.83 6 -21 0 2.89 0.54 -6 21 0 4.04 0.60 21 -15 0 3.78 0.77 21 -15 0 6.31 1.00 -15 -6 0 4.98 0.88 -6 21 0 2.52 0.54 -15 -6 0 3.65 0.95 3 -21 0 19.71 1.36 3 -21 0 16.86 1.44 18 3 0 19.23 1.78 18 3 0 18.94 0.97 3 -21 0 18.81 1.21 -21 18 0 20.00 1.56 -21 18 0 19.87 1.34 18 3 0 20.71 1.60 -21 18 0 19.76 0.90 -21 18 0 20.90 1.42 21 -18 0 17.42 1.42 -18 -3 0 16.77 1.42 -3 21 0 20.38 1.60 21 -18 0 19.88 1.51 -3 21 0 19.17 1.21 -18 -3 0 18.95 1.68 -21 21 0 31.13 1.75 21 0 0 31.96 1.10 -21 21 0 34.00 1.85 0 -21 0 29.55 1.88 21 0 0 33.56 2.14 -21 21 0 33.20 2.00 -21 21 0 32.96 1.40 0 -21 0 30.66 1.71 0 -21 0 30.77 2.04 21 -21 0 36.90 2.12 -21 0 0 32.06 2.37 0 21 0 33.56 1.73 -22 2 0 16.16 2.06 2 20 0 17.91 1.28 20 -22 0 17.03 1.50 -2 -20 0 15.14 1.39 -20 22 0 13.77 1.31 22 -2 0 16.19 1.52 -20 22 0 19.03 1.33 -20 22 0 15.36 0.99 -2 -20 0 16.39 1.51 -2 -20 0 14.51 1.24 22 -2 0 16.55 0.51 -20 22 0 15.15 1.23 5 17 0 0.04 0.35 5 17 0 1.21 0.45 -22 5 0 0.40 0.58 17 -22 0 0.67 0.48 -17 22 0 0.02 0.30 -17 22 0 0.00 0.28 22 -5 0 0.76 0.52 22 -5 0 0.38 0.49 -5 -17 0 -0.33 0.46 -17 22 0 0.27 0.33 -5 -17 0 0.46 0.53 -5 -17 0 0.07 0.36 -17 22 0 0.51 0.37 8 14 0 27.33 1.65 8 14 0 26.43 1.70 14 -22 0 29.33 1.77 -22 8 0 29.56 1.81 -22 8 0 29.69 2.12 8 14 0 27.16 1.53 22 -8 0 27.68 1.85 -14 22 0 26.70 1.47 -14 22 0 30.31 1.62 22 -8 0 25.78 1.80 -14 22 0 29.92 1.52 -8 -14 0 27.62 1.93 -8 -14 0 27.72 1.67 -14 22 0 27.80 1.46 11 11 0 10.36 1.24 11 11 0 9.16 0.87 11 11 0 10.54 1.24 -22 11 0 10.61 1.47 -22 11 0 8.69 1.12 11 -22 0 9.69 1.22 -11 22 0 10.38 0.94 -11 22 0 10.30 0.93 22 -11 0 9.20 1.22 22 -11 0 11.71 1.41 -11 22 0 9.43 0.80 -11 22 0 10.27 0.92 -11 -11 0 10.45 1.43 -11 -11 0 8.28 1.07 14 8 0 2.69 0.56 14 8 0 2.48 0.68 8 -22 0 2.83 0.54 8 -22 0 3.14 0.59 14 8 0 2.95 0.71 8 -22 0 2.11 0.63 -22 14 0 2.35 0.81 22 -14 0 1.50 0.55 -14 -8 0 2.09 0.63 22 -14 0 2.60 0.72 -8 22 0 2.50 0.49 -8 22 0 2.45 0.59 -14 -8 0 2.09 0.77 5 -22 0 13.96 1.33 17 5 0 13.73 1.28 5 -22 0 12.78 1.02 -22 17 0 15.06 1.45 5 -22 0 13.35 1.14 17 5 0 13.68 0.87 -22 17 0 13.39 1.18 22 -17 0 12.96 1.27 -17 -5 0 12.39 1.50 -17 -5 0 10.45 1.49 22 -17 0 13.78 1.31 -5 22 0 12.79 0.96 20 2 0 17.38 0.88 -22 20 0 21.18 1.44 -22 20 0 17.39 1.37 2 -22 0 20.84 1.51 20 2 0 19.78 1.63 -22 20 0 18.92 0.95 2 -22 0 18.29 1.29 -22 20 0 18.38 1.59 -20 -2 0 21.06 1.94 -2 22 0 19.91 1.29 22 -20 0 17.14 1.52 1 22 0 8.72 1.08 -23 1 0 9.15 1.49 22 -23 0 7.53 1.18 -22 23 0 8.52 1.18 23 -1 0 6.48 1.22 -22 23 0 9.90 0.82 -22 23 0 11.17 1.29 -1 -22 0 7.73 1.27 23 -1 0 8.36 0.43 -1 -22 0 8.93 1.16 -1 -22 0 8.56 1.35 -22 23 0 9.41 1.15 4 19 0 7.45 1.01 19 -23 0 6.36 1.10 -23 4 0 8.80 1.44 -19 23 0 9.03 1.09 -4 -19 0 8.62 1.19 -19 23 0 9.96 0.84 -19 23 0 9.99 0.99 23 -4 0 9.05 1.34 -4 -19 0 8.29 1.06 -19 23 0 8.25 1.14 -4 -19 0 9.50 1.35 -23 7 0 44.10 2.71 7 16 0 40.42 1.98 16 -23 0 39.45 2.16 7 16 0 42.96 2.13 -16 23 0 40.99 1.91 -7 -16 0 36.67 2.25 -16 23 0 40.05 1.85 -16 23 0 41.35 2.01 -7 -16 0 43.58 3.08 -7 -16 0 40.64 2.35 -16 23 0 41.35 1.87 23 -7 0 39.68 2.35 23 -7 0 38.65 2.32 -23 10 0 0.53 0.45 10 13 0 0.44 0.44 -23 10 0 0.76 0.51 10 13 0 0.34 0.39 10 13 0 0.74 0.45 13 -23 0 1.65 0.53 -10 -13 0 0.03 0.40 23 -10 0 0.70 0.52 -13 23 0 0.73 0.41 -13 23 0 0.53 0.32 -10 -13 0 1.02 0.59 -13 23 0 0.94 0.42 23 -10 0 0.79 0.43 -13 23 0 1.34 0.36 13 10 0 14.18 1.33 10 -23 0 16.52 1.42 -23 13 0 19.19 1.46 -23 13 0 22.57 1.83 10 -23 0 18.50 1.23 13 10 0 19.66 1.21 10 -23 0 17.48 1.15 -13 -10 0 18.83 1.67 23 -13 0 16.85 1.46 -10 23 0 19.93 1.17 -10 23 0 18.27 1.25 -13 -10 0 18.68 1.43 23 -13 0 20.25 1.57 16 7 0 1.30 0.52 7 -23 0 1.34 0.57 -23 16 0 1.66 0.55 7 -23 0 1.74 0.43 -23 16 0 1.15 0.57 7 -23 0 0.46 0.33 16 7 0 1.57 0.42 23 -16 0 1.04 0.61 -7 23 0 1.83 0.49 23 -16 0 1.86 0.62 4 -23 0 2.26 0.79 -23 19 0 2.86 0.71 -23 19 0 2.45 0.61 -23 19 0 2.85 0.82 19 4 0 2.70 0.72 19 4 0 3.46 0.49 4 -23 0 2.01 0.59 4 -23 0 2.88 0.70 -4 23 0 3.25 0.60 23 -19 0 3.52 0.88 23 -19 0 2.74 0.81 -19 -4 0 1.20 0.80 -23 22 0 7.97 0.68 -23 22 0 8.15 1.07 -23 22 0 7.67 1.17 -23 22 0 9.41 1.18 1 -23 0 8.74 1.25 1 -23 0 12.03 1.46 22 1 0 8.48 0.58 1 -23 0 8.05 1.07 22 1 0 8.88 1.38 23 -22 0 6.95 1.18 -22 -1 0 8.39 1.46 -1 23 0 7.79 1.00 -24 3 0 6.54 1.39 21 -24 0 6.25 1.09 3 21 0 5.20 0.88 -21 24 0 4.69 0.89 24 -3 0 4.83 1.00 -21 24 0 5.68 0.86 -3 -21 0 6.45 1.02 -3 -21 0 4.84 1.05 -21 24 0 5.41 0.69 -21 24 0 4.77 0.86 18 -24 0 71.58 3.16 -24 6 0 82.02 3.99 6 18 0 79.35 3.09 -18 24 0 72.83 2.83 24 -6 0 76.22 3.46 -6 -18 0 76.20 3.41 -18 24 0 69.88 2.93 -18 24 0 77.77 2.85 -6 -18 0 72.37 3.01 15 -24 0 27.39 1.82 9 15 0 27.31 1.58 9 15 0 23.83 1.66 -24 9 0 26.00 2.05 -9 -15 0 27.82 1.98 -15 24 0 26.40 1.53 -15 24 0 29.19 1.50 -15 24 0 28.09 1.55 -15 24 0 26.28 1.59 -9 -15 0 25.09 1.68 24 -9 0 26.50 1.95 -24 12 0 70.55 3.44 -24 12 0 62.67 3.18 12 -24 0 67.67 3.00 12 12 0 66.51 2.94 12 12 0 60.04 3.02 -12 24 0 69.62 2.46 -12 24 0 63.02 2.60 -12 24 0 69.91 2.64 -12 -12 0 66.04 2.88 24 -12 0 68.31 3.11 24 -12 0 69.34 3.19 15 9 0 4.25 0.69 -24 15 0 3.56 0.75 9 -24 0 4.65 0.92 9 -24 0 2.86 0.59 -24 15 0 3.07 0.89 15 9 0 3.64 0.81 9 -24 0 3.71 0.70 24 -15 0 3.85 1.03 -9 24 0 4.64 0.72 24 -15 0 3.27 0.83 -15 -9 0 4.07 0.96 6 -24 0 0.39 0.40 6 -24 0 0.32 0.41 18 6 0 0.25 0.27 -24 18 0 0.23 0.48 -24 18 0 1.16 0.64 6 -24 0 0.57 0.66 18 6 0 1.89 0.65 24 -18 0 1.31 0.50 24 -18 0 0.85 0.71 -18 -6 0 1.05 0.64 -6 24 0 0.15 0.28 21 3 0 6.82 1.25 -24 21 0 6.42 0.60 3 -24 0 5.85 1.18 -24 21 0 6.46 1.00 3 -24 0 7.33 0.98 -24 21 0 7.08 1.02 3 -24 0 7.36 1.11 -24 21 0 5.92 1.14 21 3 0 6.76 0.61 -21 -3 0 6.64 1.28 -3 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-40 -0.78 0.59 6 -8 -40 1.87 0.73 6 -8 -40 -0.01 0.58 -8 2 -40 1.08 0.92 -2 -6 40 -1.54 0.84 3 -8 -40 4.60 0.98 -8 5 -40 5.21 0.94 -8 5 -40 6.70 1.24 5 3 -40 6.35 1.13 3 -8 -40 4.81 0.86 -3 8 40 5.80 1.29 -5 -3 40 5.99 1.39 -8 8 -40 20.00 1.42 0 -8 -40 18.98 1.53 -8 8 -40 16.87 2.01 0 -8 -40 17.24 1.70 8 0 -40 21.23 1.88 -8 0 40 18.43 2.33 0 8 40 23.02 3.81 -8 11 -40 14.81 1.88 -3 -8 -40 17.63 2.15 -3 -8 -40 18.96 1.86 11 -3 -40 19.92 1.76 -11 3 40 16.47 3.14 -9 -2 -40 1.22 0.88 11 -9 -40 1.40 0.74 -9 -2 -40 1.46 0.80 -2 11 -40 1.91 1.08 -9 -2 -40 3.11 0.90 -11 9 40 1.38 1.25 2 -11 40 1.44 0.84 -9 1 -40 -0.32 0.62 8 -9 -40 -0.71 0.60 8 -9 -40 0.45 0.83 1 8 -40 0.59 0.78 -9 1 -40 -0.25 0.82 -9 1 -40 -0.01 0.71 -8 9 40 -1.21 0.97 -1 -8 40 1.03 0.94 5 -9 -40 0.52 0.60 -9 4 -40 0.36 0.85 5 -9 -40 1.07 0.78 -9 4 -40 0.04 0.56 -9 4 -40 -0.54 0.64 -5 9 40 -0.61 0.96 -4 -5 40 -1.03 0.93 2 -9 -40 -0.21 0.58 2 -9 -40 0.75 0.71 7 2 -40 0.51 0.87 -9 7 -40 0.48 0.89 -9 7 -40 -0.43 0.60 -7 -2 40 -1.29 1.03 -2 9 40 1.68 1.06 10 -1 -40 -1.11 0.71 -9 10 -40 2.09 1.08 -1 -9 -40 -0.35 1.18 -1 -9 -40 1.24 0.64 1 9 40 1.47 0.95 -10 1 40 0.44 1.27 10 -10 -40 0.92 0.64 -10 0 -40 1.66 0.85 0 10 -40 0.24 0.89 -10 0 -40 1.20 0.87 -10 0 -40 1.81 0.88 -10 10 40 0.49 1.14 0 -10 40 1.50 0.94 3 7 -40 0.38 0.76 -10 3 -40 -0.18 0.78 -10 3 -40 1.53 0.73 -10 3 -40 0.62 0.66 7 -10 -40 0.83 0.57 -3 -7 40 -0.31 1.00 -7 10 40 1.09 1.08 -10 6 -40 2.75 0.79 4 -10 -40 1.67 0.66 -10 6 -40 2.23 0.99 -4 10 40 1.50 1.07 -6 -4 40 0.11 1.11 1 -10 -40 6.22 0.93 -10 9 -40 7.08 0.89 -10 9 -40 4.30 1.13 9 1 -40 6.70 1.23 -1 10 40 4.41 1.46 -9 -1 40 5.47 1.50 -11 2 -40 -0.53 0.83 -11 2 -40 -0.49 0.61 -11 2 -40 0.38 0.72 2 9 -40 0.18 0.88 9 -11 -40 -0.47 0.56 -2 -9 40 0.99 0.95 -9 11 40 1.12 1.31 -11 5 -40 0.79 0.72 6 -11 -40 0.45 0.49 -11 5 -40 -1.35 0.72 5 6 -40 -1.16 0.75 -11 5 -40 0.22 0.84 -6 11 40 0.33 1.05 -5 -6 40 -0.31 1.00 3 -11 -40 12.43 1.06 8 3 -40 8.46 1.84 -11 8 -40 11.75 1.70 -11 8 -40 12.71 1.24 -3 11 40 13.08 1.99 -8 -3 40 10.36 1.87 -12 4 -40 4.69 0.90 -12 4 -40 4.81 1.20 -12 4 -40 4.51 1.03 4 8 -40 6.02 1.29 -4 -8 40 2.90 1.16 -8 12 40 3.15 1.28 -12 7 -40 2.37 1.11 -12 7 -40 5.08 0.96 7 5 -40 3.66 1.07 -5 12 40 4.11 1.45 -7 -5 40 5.45 1.45 0 -1 -41 0.67 0.77 0 -1 -41 0.62 0.66 -1 1 -41 -0.54 0.71 1 0 -41 -0.54 0.64 -1 0 41 0.87 0.99 0 1 41 1.19 0.97 1 -1 41 -0.44 0.82 -2 0 -41 0.10 0.66 -2 0 -41 -0.26 0.61 2 -2 -41 0.16 0.68 0 2 -41 -0.74 0.65 2 -2 -41 0.17 0.66 2 0 41 0.74 0.86 -2 2 41 0.28 0.87 0 -2 41 0.65 0.93 -1 -2 -41 0.89 0.69 3 -1 -41 1.87 0.75 -1 -2 -41 0.82 0.75 -2 3 -41 0.51 0.78 1 2 41 -0.85 0.91 2 -3 41 1.36 0.90 -3 1 41 1.46 1.08 4 -3 -41 1.49 0.77 4 -3 -41 3.30 0.85 -1 4 -41 4.93 1.05 -3 -1 -41 2.80 0.91 -3 -1 -41 3.38 0.98 1 -4 41 3.64 1.13 3 1 41 2.29 0.99 -4 3 41 3.44 1.43 1 -3 -41 7.47 1.15 1 -3 -41 5.57 1.12 -3 2 -41 8.77 1.33 2 1 -41 7.72 1.38 3 -2 41 9.18 1.38 -2 -1 41 8.02 1.53 -1 3 41 6.02 1.43 -2 -3 -41 2.62 0.94 5 -2 -41 1.84 0.82 -3 5 -41 0.49 0.88 -2 -3 -41 0.95 0.75 3 -5 41 1.78 0.97 -5 2 41 3.79 1.27 2 3 41 -0.45 0.79 6 -4 -41 5.69 1.12 -4 -2 -41 5.53 1.00 -4 -2 -41 8.36 1.26 6 -4 -41 8.09 1.57 -2 6 -41 4.55 1.82 2 -6 41 3.80 1.04 -6 4 41 8.56 1.65 3 -4 -41 10.95 1.46 -4 1 -41 10.66 1.50 -4 1 -41 13.35 1.77 1 3 -41 10.42 1.59 3 -4 -41 11.98 1.50 -3 4 41 14.63 2.05 -1 -3 41 11.81 1.69 4 -1 41 10.15 1.55 4 0 -41 2.54 0.81 -4 4 -41 0.57 0.74 0 -4 -41 -0.41 0.71 0 -4 -41 0.62 0.73 4 -4 41 1.34 0.84 -4 0 41 0.01 0.98 0 4 41 0.88 1.01 7 -3 -41 1.27 0.79 -4 7 -41 1.54 0.94 -3 -4 -41 2.40 0.89 -3 -4 -41 1.05 0.73 3 4 41 0.14 0.98 4 -7 41 0.03 0.78 -7 3 41 1.31 1.22 -5 -3 -41 0.00 0.66 8 -5 -41 -0.09 0.71 -5 -3 -41 -0.96 0.70 -3 8 -41 0.21 0.83 -5 -3 -41 -0.48 0.74 3 -8 41 1.62 0.85 0 5 -41 -0.20 0.76 5 -5 -41 0.26 0.63 -5 0 -41 -0.46 0.74 -5 0 -41 -0.48 0.63 5 -5 -41 0.95 0.72 -5 5 41 -0.82 0.95 0 -5 41 -0.03 0.88 3 2 -41 0.75 0.78 2 -5 -41 0.28 0.66 2 -5 -41 -1.15 0.55 -5 3 -41 -0.41 0.78 -3 -2 41 -0.52 0.95 -2 5 41 -0.93 0.93 -5 6 -41 0.26 0.89 6 -1 -41 2.84 0.84 -1 -5 -41 2.97 0.89 -1 -5 -41 2.29 0.82 -6 1 41 0.63 1.18 1 5 41 0.42 1.02 -4 -5 -41 1.09 0.79 -4 -5 -41 -0.13 0.75 -5 9 -41 -0.23 0.81 9 -4 -41 0.28 0.73 -9 4 41 -0.72 1.82 10 -6 -41 5.11 0.97 -6 -4 -41 4.69 0.99 -4 10 -41 3.88 1.06 -6 -4 -41 3.81 0.98 -6 -4 -41 0.95 0.98 -10 6 41 5.93 1.71 4 -10 41 3.45 0.87 -6 -1 -41 13.42 1.64 7 -6 -41 13.14 1.40 -1 7 -41 12.50 1.57 -6 -1 -41 11.20 1.49 -6 -1 -41 12.83 1.59 -7 6 41 8.99 2.84 1 -7 41 12.00 1.55 -6 2 -41 16.10 1.63 4 -6 -41 18.90 1.64 4 -6 -41 14.80 2.00 -6 2 -41 22.20 1.93 -6 2 -41 21.29 1.75 2 4 -41 16.82 1.92 -2 -4 41 20.58 2.22 -4 6 41 20.06 2.45 1 -6 -41 5.00 1.02 -6 5 -41 6.30 1.16 -6 5 -41 7.62 2.13 1 -6 -41 5.84 1.04 5 1 -41 3.17 1.01 -5 -1 41 4.98 1.49 -1 6 41 5.94 1.44 8 -2 -41 -0.28 0.69 -2 -6 -41 -0.14 1.06 -6 8 -41 -0.91 0.81 -6 8 -41 0.46 0.62 -2 -6 -41 -0.15 0.69 -8 2 41 -0.88 1.14 2 6 41 0.57 1.04 -7 -2 -41 7.09 1.36 9 -7 -41 10.43 1.35 -7 -2 -41 10.66 1.52 -7 -2 -41 9.60 1.47 -2 9 -41 12.54 1.74 -9 7 41 12.58 2.20 2 -9 41 12.53 1.52 1 6 -41 19.56 1.94 -7 1 -41 18.63 1.73 -7 1 -41 13.93 1.65 6 -7 -41 14.76 1.73 -7 1 -41 14.33 1.75 -1 -6 41 19.97 1.99 -6 7 41 15.19 2.19 3 -7 -41 19.42 2.52 -7 4 -41 21.59 1.71 -7 4 -41 25.07 2.20 4 3 -41 21.41 1.99 -4 -3 41 23.53 2.28 7 0 -41 5.59 1.22 -7 7 -41 6.59 1.27 -7 7 -41 5.57 0.94 -7 0 41 3.56 1.38 -7 10 -41 1.30 0.89 10 -3 -41 -0.12 0.70 -3 -7 -41 0.26 0.74 -10 3 41 -0.58 1.09 8 -8 -41 -0.36 0.70 -8 0 -41 1.15 0.79 -8 0 -41 -0.07 0.66 0 8 -41 -0.20 0.86 -8 0 -41 0.22 0.80 0 -8 41 0.87 1.04 -8 8 41 -0.35 1.20 3 5 -41 0.43 0.83 -8 3 -41 0.46 0.83 5 -8 -41 0.57 0.62 -8 3 -41 -0.80 0.65 -8 3 -41 -0.20 0.62 -5 8 41 1.17 1.06 -3 -5 41 -0.10 1.04 -8 6 -41 0.40 0.66 6 2 -41 0.12 0.79 2 -8 -41 -0.98 0.59 -8 6 -41 1.33 0.92 -2 8 41 1.56 1.18 -6 -2 41 0.43 1.02 -8 9 -41 2.13 0.96 -8 9 -41 1.77 0.72 9 -1 -41 3.51 0.93 -1 -8 -41 4.83 0.87 1 8 41 2.96 1.20 -9 1 41 1.07 1.24 -9 2 -41 16.09 1.62 7 -9 -41 17.21 1.43 2 7 -41 14.05 1.81 -9 2 -41 15.93 1.90 -2 -7 41 15.84 1.88 -7 9 41 16.64 2.27 4 -9 -41 12.11 1.28 -9 5 -41 13.31 1.67 5 4 -41 8.10 1.46 -5 -4 41 13.16 1.85 -4 9 41 10.56 1.98 8 1 -41 2.47 0.97 1 -9 -41 2.67 0.79 -9 8 -41 1.19 1.05 -9 8 -41 2.94 0.76 -8 -1 41 2.20 1.23 -1 9 41 0.33 1.07 -10 4 -41 9.84 1.33 4 6 -41 11.69 1.68 -10 4 -41 7.70 1.52 6 -10 -41 12.97 1.24 -10 4 -41 13.70 1.62 -4 -6 41 10.71 1.61 -6 10 41 11.97 2.08 -10 7 -41 7.97 1.58 -10 7 -41 7.39 1.07 7 3 -41 7.98 1.57 3 -10 -41 7.79 0.99 -3 10 41 7.23 1.56 -7 -3 41 6.90 1.59 0 0 -42 24.33 2.00 0 0 42 24.72 2.23 2 -1 -42 28.82 2.09 -1 2 -42 24.65 2.07 -1 -1 -42 24.35 1.96 1 -2 42 25.14 2.31 1 1 42 28.31 2.35 -2 1 42 29.08 2.58 1 -2 -42 0.85 0.76 -2 1 -42 1.99 0.83 1 1 -42 0.99 0.93 -2 1 -42 3.63 1.13 -1 -1 42 1.08 1.11 2 -1 42 4.54 1.18 -1 2 42 1.55 1.12 -2 -2 -42 3.11 0.95 4 -2 -42 3.81 1.06 -2 4 -42 5.90 1.89 2 -4 42 3.81 1.19 2 2 42 3.55 1.22 -4 2 42 5.30 1.49 0 3 -42 13.58 1.82 3 -3 -42 12.83 1.51 -3 0 -42 10.50 1.63 -3 0 -42 11.67 1.49 3 0 42 9.91 1.58 -3 3 42 12.63 1.91 0 -3 42 10.44 1.62 0 -3 -42 12.45 1.51 -3 3 -42 11.83 1.63 3 0 -42 19.49 1.77 0 3 42 12.44 1.87 -3 0 42 15.34 2.00 3 -3 42 15.87 1.85 -3 -3 -42 3.06 0.93 -3 6 -42 2.99 1.01 6 -3 -42 3.11 0.91 3 3 42 2.72 1.09 3 -6 42 2.15 1.00 -6 3 42 2.64 1.29 -4 -1 -42 13.79 1.64 -1 5 -42 11.09 1.62 -4 -1 -42 10.89 1.81 5 -4 -42 13.55 1.53 1 -5 42 12.63 1.65 -5 4 42 12.86 2.02 -4 2 -42 10.36 1.52 2 2 -42 8.75 1.44 -4 2 -42 8.80 1.39 4 -2 42 10.22 1.57 -2 4 42 10.99 1.75 -2 -2 42 11.89 1.78 -1 -4 -42 13.09 1.53 -4 5 -42 10.66 1.60 5 -1 -42 12.68 1.56 -5 1 42 11.14 1.85 1 4 42 13.43 2.01 4 -5 42 7.79 1.41 -2 7 -42 2.90 1.02 7 -5 -42 0.73 0.73 -5 -2 -42 1.19 0.84 4 -5 -42 2.15 0.76 1 4 -42 0.45 1.55 -5 1 -42 1.49 0.88 -5 1 -42 0.44 0.78 -4 5 42 2.58 1.35 -1 -4 42 2.82 1.07 4 1 -42 -0.62 0.72 1 -5 -42 -0.12 0.72 -4 -1 42 0.22 1.15 -1 5 42 1.25 1.06 -5 7 -42 0.42 0.88 7 -2 -42 1.11 0.78 -2 -5 -42 0.53 0.76 0 6 -42 -1.51 0.78 -6 0 -42 -0.44 0.77 -6 0 -42 -0.16 0.70 -6 0 -42 0.31 0.79 6 -6 -42 0.90 0.69 0 -6 42 -0.31 0.96 -6 6 42 0.39 1.15 -6 3 -42 0.48 1.00 -6 3 -42 3.36 0.94 3 -6 -42 2.96 0.81 -6 3 -42 2.29 0.80 -3 6 42 4.38 1.87 -3 -3 42 1.88 1.24 0 -6 -42 -0.09 0.71 -6 6 -42 0.32 0.90 6 0 -42 0.96 0.80 -6 6 -42 -0.35 0.70 0 6 42 -0.87 1.68 -6 0 42 -1.30 1.16 -7 2 -42 3.52 1.08 5 -7 -42 3.64 0.88 -7 2 -42 3.48 0.93 2 5 -42 3.19 1.10 2 -7 -42 1.77 0.75 -7 5 -42 1.82 0.89 0 0 0 0.00 0.00 ; _shelx_hkl_checksum 39136 loop_ _space_group_symop_operation_xyz 'x, y, z' '-y, x-y, z' '-x+y, -x, z' 'x+2/3, y+1/3, z+1/3' '-y+2/3, x-y+1/3, z+1/3' '-x+y+2/3, -x+1/3, z+1/3' 'x+1/3, y+2/3, z+2/3' '-y+1/3, x-y+2/3, z+2/3' '-x+y+1/3, -x+2/3, z+2/3' '-x, -y, -z' 'y, -x+y, -z' 'x-y, x, -z' '-x+2/3, -y+1/3, -z+1/3' 'y+2/3, -x+y+1/3, -z+1/3' 'x-y+2/3, x+1/3, -z+1/3' '-x+1/3, -y+2/3, -z+2/3' 'y+1/3, -x+y+2/3, -z+2/3' 'x-y+1/3, x+2/3, -z+2/3' 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 Yb1 Yb 0.38143(2) 0.36667(2) 0.66413(2) 0.02022(6) Uani 1 1 d . . . . . O1M O 0.42977(14) 0.47059(13) 0.66975(9) 0.0431(7) Uani 1 1 d . . . . . O2M O 0.41058(12) 0.40004(12) 0.59673(8) 0.0329(6) Uani 1 1 d . . . . . O3M O 0.30831(14) 0.39248(15) 0.65996(11) 0.0479(8) Uani 1 1 d . . . . . O4M O 0.31216(12) 0.29715(13) 0.61564(9) 0.0393(6) Uani 1 1 d . . . . . O5M O 0.48493(11) 0.40390(13) 0.66380(9) 0.0386(7) Uani 1 1 d . . . . . O6M O 0.40316(12) 0.38869(12) 0.73482(8) 0.0337(6) Uani 1 1 d . . . . . O7M O 0.30312(12) 0.29369(12) 0.70492(9) 0.0383(6) Uani 1 1 d . . . . . O8M O 0.39708(14) 0.28752(13) 0.66711(11) 0.0467(7) Uani 1 1 d . . . . . O11 O 0.49076(13) 0.74887(12) 0.59586(8) 0.0347(6) Uani 1 1 d . . . . . O12 O 0.47874(12) 0.74437(11) 0.40632(7) 0.0297(5) Uani 1 1 d . . . . . C11 C 0.51355(16) 0.76146(15) 0.56047(10) 0.0238(7) Uani 1 1 d . . . . . C12 C 0.50605(15) 0.75847(14) 0.43986(10) 0.0220(6) Uani 1 1 d . . . . . C13 C 0.56058(14) 0.75753(13) 0.49852(9) 0.0192(6) Uani 1 1 d . . . . . H13 H 0.602889 0.766197 0.496830 0.023 Uiso 1 1 calc R U . . . C14 C 0.55661(14) 0.81570(14) 0.49888(10) 0.0194(6) Uani 1 1 d . . . . . H14 H 0.597132 0.852384 0.497837 0.023 Uiso 1 1 calc R U . . . N11 N 0.53232(13) 0.72914(12) 0.53797(8) 0.0234(6) Uani 1 1 d . . . . . N12 N 0.52612(13) 0.81146(12) 0.53818(8) 0.0219(6) Uani 1 1 d . . . . . N13 N 0.52196(13) 0.80997(12) 0.46174(8) 0.0209(5) Uani 1 1 d . . . . . N14 N 0.52621(12) 0.72625(12) 0.46149(8) 0.0213(5) Uani 1 1 d . . . . . C15 C 0.51680(15) 0.85837(15) 0.55429(10) 0.0225(6) Uani 1 1 d . . . . . H15A H 0.553302 0.897412 0.549054 0.027 Uiso 1 1 calc R U . . . H15B H 0.510984 0.853424 0.585142 0.027 Uiso 1 1 calc R U . . . C16 C 0.51848(14) 0.85968(14) 0.44363(9) 0.0182(6) Uani 1 1 d . . . . . H16A H 0.556152 0.897238 0.449815 0.022 Uiso 1 1 calc R U . . . H16B H 0.515029 0.854766 0.412669 0.022 Uiso 1 1 calc R U . . . O21 O 0.40168(12) 0.81691(14) 0.59234(7) 0.0377(6) Uani 1 1 d . . . . . O22 O 0.40511(11) 0.82317(11) 0.40220(7) 0.0245(5) Uani 1 1 d . . . . . C21 C 0.41423(15) 0.84244(16) 0.55788(10) 0.0255(7) Uani 1 1 d . . . . . C22 C 0.41740(14) 0.84731(14) 0.43695(9) 0.0191(6) Uani 1 1 d . . . . . C23 C 0.46973(14) 0.89407(14) 0.49854(9) 0.0182(6) Uani 1 1 d . . . . . H23 H 0.504377 0.935876 0.500053 0.022 Uiso 1 1 calc R U . . . C24 C 0.40889(14) 0.89277(14) 0.49840(9) 0.0186(6) Uani 1 1 d . . . . . H24 H 0.414483 0.934011 0.499408 0.022 Uiso 1 1 calc R U . . . N21 N 0.46582(12) 0.85955(12) 0.53584(8) 0.0214(5) Uani 1 1 d . . . . . N22 N 0.37947(12) 0.85883(13) 0.53587(8) 0.0225(6) Uani 1 1 d . . . . . N23 N 0.38185(11) 0.86279(12) 0.45916(8) 0.0184(5) Uani 1 1 d . . . . . N24 N 0.46875(12) 0.86513(12) 0.45907(8) 0.0185(5) Uani 1 1 d . . . . . C25 C 0.32523(14) 0.85438(16) 0.55323(10) 0.0259(7) Uani 1 1 d . . . . . H25A H 0.326454 0.851943 0.584290 0.031 Uiso 1 1 calc R U . . . H25B H 0.324295 0.891278 0.546158 0.031 Uiso 1 1 calc R U . . . C26 C 0.32495(13) 0.85247(14) 0.44364(10) 0.0192(6) Uani 1 1 d . . . . . H26A H 0.324124 0.847922 0.412660 0.023 Uiso 1 1 calc R U . . . H26B H 0.321239 0.888066 0.449909 0.023 Uiso 1 1 calc R U . . . O31 O 0.40837(11) 0.82629(12) 0.26476(7) 0.0284(5) Uani 1 1 d . . . . . O32 O 0.40207(11) 0.81101(12) 0.07521(7) 0.0286(5) Uani 1 1 d . . . . . C31 C 0.42044(15) 0.84944(14) 0.22949(10) 0.0212(6) Uani 1 1 d . . . . . C32 C 0.41519(15) 0.83807(14) 0.10871(10) 0.0217(6) Uani 1 1 d . . . . . C33 C 0.47150(14) 0.89317(14) 0.16682(10) 0.0202(6) Uani 1 1 d . . . . . H33 H 0.505865 0.935041 0.164574 0.024 Uiso 1 1 calc R U . . . C34 C 0.41042(14) 0.89133(14) 0.16680(10) 0.0198(6) Uani 1 1 d . . . . . H34 H 0.415656 0.932322 0.164261 0.024 Uiso 1 1 calc R U . . . N31 N 0.47118(12) 0.86600(12) 0.20703(8) 0.0213(5) Uani 1 1 d . . . . . N32 N 0.38449(12) 0.86407(12) 0.20700(8) 0.0205(5) Uani 1 1 d . . . . . N33 N 0.38006(12) 0.85464(12) 0.13043(8) 0.0206(5) Uani 1 1 d . . . . . N34 N 0.46749(12) 0.85765(12) 0.13040(8) 0.0210(5) Uani 1 1 d . . . . . C35 C 0.32686(14) 0.85313(14) 0.22133(10) 0.0205(6) Uani 1 1 d . . . . . H35A H 0.323120 0.888636 0.214765 0.025 Uiso 1 1 calc R U . . . H35B H 0.324974 0.848374 0.252315 0.025 Uiso 1 1 calc R U . . . C36 C 0.32839(14) 0.85332(15) 0.11183(10) 0.0218(6) Uani 1 1 d . . . . . H36A H 0.330593 0.850395 0.080876 0.026 Uiso 1 1 calc R U . . . H36B H 0.329755 0.891562 0.118167 0.026 Uiso 1 1 calc R U . . . N1 N 0.54161(13) 0.53531(13) 0.58772(9) 0.0257(6) Uani 1 1 d . . . . . O11N O 0.55294(13) 0.51248(13) 0.61881(9) 0.0396(7) Uani 1 1 d . . . . . O12N O 0.49485(12) 0.50471(13) 0.56687(9) 0.0417(7) Uani 1 1 d . . . . . O13N O 0.57876(12) 0.58616(12) 0.57592(9) 0.0373(6) Uani 1 1 d . . . . . N2 N 0.53693(13) 0.53472(13) 0.75101(9) 0.0262(6) Uani 1 1 d . . . . . O21N O 0.53814(18) 0.53123(16) 0.71205(9) 0.0744(13) Uani 1 1 d . . . . . O22N O 0.57844(11) 0.57787(11) 0.76948(8) 0.0287(5) Uani 1 1 d . . . . . O23N O 0.49378(11) 0.49427(12) 0.77124(8) 0.0310(6) Uani 1 1 d . . . . . N3 N 0.33686(12) 0.33431(12) 0.49558(9) 0.0232(6) Uani 1 1 d . . . . . O31N O 0.36567(12) 0.38080(11) 0.51699(8) 0.0329(6) Uani 1 1 d . . . . . O32N O 0.30504(12) 0.33309(12) 0.46598(8) 0.0336(6) Uani 1 1 d . . . . . O33N O 0.34050(16) 0.28960(13) 0.50414(13) 0.0599(10) Uani 1 1 d . . . . . N4 N 0.3282(4) 0.1670(3) 0.59422(18) 0.0452(16) Uani 0.541(6) 1 d D U P A 1 O41N O 0.2931(6) 0.1474(5) 0.6245(4) 0.065(3) Uani 0.271(3) 1 d D U P A 1 O41' O 0.3385(6) 0.1749(4) 0.6334(2) 0.0356(18) Uani 0.271(3) 1 d D U P A 1 O42N O 0.3409(4) 0.1311(3) 0.5764(2) 0.065(2) Uani 0.541(6) 1 d D U P A 1 O43N O 0.3294(4) 0.2081(4) 0.5731(2) 0.047(2) Uani 0.541(6) 1 d D U P A 1 N5 N 0.3430(5) 0.1704(5) 0.5933(3) 0.051(3) Uani 0.259(6) 1 d D U P A 2 O51N O 0.3903(5) 0.1980(5) 0.6146(4) 0.048(2) Uani 0.259(6) 1 d D U P A 2 O52N O 0.3199(8) 0.1996(7) 0.5796(6) 0.051(3) Uani 0.259(6) 1 d D U P A 2 O53N O 0.3169(8) 0.1155(5) 0.5857(5) 0.057(3) Uani 0.259(6) 1 d D U P A 2 O1W O 0.51145(13) 0.31003(13) 0.66730(8) 0.0369(6) Uani 1 1 d . . . . . O2W O 0.44620(13) 0.79762(13) 0.33349(8) 0.0350(6) Uani 1 1 d . . . . . O3W O 0.56283(19) 0.85150(17) 0.33286(12) 0.0635(10) Uani 1 1 d . . . . . O4W O 0.3724(4) 0.6864(4) 0.3335(3) 0.0363(18) Uani 0.3333 1 d . . P B -1 O5W O 0.3086(4) 0.6561(6) 0.4016(3) 0.043(2) Uani 0.3333 1 d . . P C -1 O6W O 0.3064(4) 0.6544(5) 0.2670(3) 0.046(2) Uani 0.3333 1 d . . P D -1 O7W O 0.3202(4) 0.4975(4) 0.6668(2) 0.0350(14) Uani 0.363(3) 1 d . U P E 1 O8W O 0.3687(4) 0.5282(3) 0.66467(17) 0.0399(13) Uani 0.464(3) 1 d . U P F 2 O9W O 0.4602(8) 0.5790(7) 0.6620(4) 0.034(2) Uani 0.173(3) 1 d . U P G 3 O10W O 0.3229(7) 0.6294(5) 0.5900(4) 0.077(3) Uani 0.3333 1 d . U P H -1 O11W O 0.3303(9) 0.7158(8) 0.6337(7) 0.053(5) Uani 0.1667 1 d . U P I -1 N6 N 0.3096(7) 0.6866(8) 0.1691(4) 0.044(5) Uani 0.12 1 d D U P J -1 O61N O 0.3102(14) 0.6901(16) 0.1299(4) 0.044(5) Uani 0.12 1 d D U P J -1 O62N O 0.2677(11) 0.6427(13) 0.1868(10) 0.041(5) Uani 0.12 1 d D U P J -1 O63N O 0.3505(12) 0.7272(13) 0.1898(11) 0.043(6) Uani 0.12 1 d D U P J -1 N7 N 0.3742(8) 0.6805(8) 0.5016(6) 0.035(4) Uani 0.08 1 d D U P K -1 O71N O 0.3491(13) 0.7106(11) 0.4984(9) 0.035(4) Uani 0.08 1 d D U P K -1 O72N O 0.3653(14) 0.6415(12) 0.4749(8) 0.034(4) Uani 0.08 1 d D U P K -1 O73N O 0.4077(13) 0.6884(14) 0.5318(8) 0.039(4) Uani 0.08 1 d D U P K -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 Yb1 0.01852(8) 0.02324(8) 0.01711(8) -0.00015(5) 0.00021(5) 0.00909(6) O1M 0.0517(18) 0.0302(14) 0.0338(15) -0.0048(12) -0.0034(13) 0.0101(13) O2M 0.0349(14) 0.0371(14) 0.0187(12) 0.0024(10) -0.0005(10) 0.0120(12) O3M 0.0393(16) 0.061(2) 0.0552(19) -0.0110(16) -0.0087(14) 0.0343(16) O4M 0.0316(14) 0.0408(16) 0.0323(15) -0.0080(12) -0.0069(11) 0.0082(12) O5M 0.0207(12) 0.0461(16) 0.0433(16) 0.0163(13) 0.0023(11) 0.0124(12) O6M 0.0326(14) 0.0410(15) 0.0177(12) 0.0016(11) 0.0009(10) 0.0111(12) O7M 0.0293(13) 0.0359(15) 0.0337(14) -0.0054(12) 0.0099(11) 0.0044(12) O8M 0.0393(16) 0.0336(15) 0.073(2) -0.0052(15) -0.0051(15) 0.0225(13) O11 0.0498(16) 0.0329(14) 0.0173(11) 0.0022(10) 0.0046(11) 0.0176(13) O12 0.0449(15) 0.0288(13) 0.0203(12) -0.0088(10) -0.0158(11) 0.0221(12) C11 0.0296(17) 0.0230(16) 0.0149(14) -0.0021(12) -0.0053(12) 0.0101(14) C12 0.0273(16) 0.0218(15) 0.0190(15) -0.0008(12) -0.0037(12) 0.0139(13) C13 0.0244(15) 0.0194(14) 0.0144(14) -0.0024(11) -0.0058(12) 0.0113(13) C14 0.0226(15) 0.0179(14) 0.0166(14) -0.0008(11) -0.0027(12) 0.0092(12) N11 0.0341(15) 0.0186(13) 0.0165(13) 0.0003(10) -0.0036(11) 0.0124(12) N12 0.0292(14) 0.0241(13) 0.0143(12) -0.0001(10) -0.0005(10) 0.0148(12) N13 0.0300(14) 0.0192(13) 0.0167(12) -0.0026(10) -0.0061(11) 0.0148(12) N14 0.0279(14) 0.0203(13) 0.0171(12) -0.0040(10) -0.0069(11) 0.0132(11) C15 0.0280(17) 0.0256(16) 0.0146(14) -0.0047(12) -0.0050(12) 0.0138(14) C16 0.0223(15) 0.0193(14) 0.0150(14) 0.0034(11) 0.0037(11) 0.0119(12) O21 0.0359(14) 0.0607(18) 0.0146(11) 0.0103(11) 0.0048(10) 0.0227(14) O22 0.0272(12) 0.0295(12) 0.0169(11) -0.0068(9) -0.0019(9) 0.0142(10) C21 0.0258(17) 0.0311(18) 0.0148(14) -0.0024(13) -0.0005(12) 0.0106(14) C22 0.0214(15) 0.0166(14) 0.0166(14) 0.0008(11) 0.0017(11) 0.0075(12) C23 0.0194(14) 0.0206(14) 0.0147(13) -0.0015(11) 0.0005(11) 0.0100(12) C24 0.0208(15) 0.0181(14) 0.0148(14) -0.0013(11) 0.0003(11) 0.0082(12) N21 0.0232(13) 0.0279(14) 0.0140(12) -0.0005(10) 0.0005(10) 0.0136(12) N22 0.0206(13) 0.0305(15) 0.0139(12) -0.0002(11) 0.0023(10) 0.0108(12) N23 0.0186(12) 0.0241(13) 0.0112(11) -0.0032(10) -0.0011(9) 0.0098(11) N24 0.0207(13) 0.0226(13) 0.0134(12) -0.0025(10) 0.0000(10) 0.0118(11) C25 0.0207(16) 0.0338(18) 0.0173(15) -0.0088(13) 0.0011(12) 0.0093(14) C26 0.0197(15) 0.0206(15) 0.0152(14) 0.0001(11) -0.0004(11) 0.0086(12) O31 0.0332(13) 0.0389(14) 0.0157(11) 0.0049(10) 0.0003(9) 0.0199(12) O32 0.0270(12) 0.0382(14) 0.0182(11) -0.0090(10) -0.0027(9) 0.0145(11) C31 0.0261(16) 0.0215(15) 0.0176(14) -0.0030(12) -0.0030(12) 0.0132(13) C32 0.0228(15) 0.0229(15) 0.0186(15) 0.0015(12) 0.0000(12) 0.0108(13) C33 0.0237(15) 0.0214(15) 0.0154(14) -0.0006(12) -0.0005(12) 0.0111(13) C34 0.0226(15) 0.0197(15) 0.0155(14) 0.0013(11) 0.0006(11) 0.0093(13) N31 0.0243(14) 0.0266(14) 0.0150(12) 0.0018(10) -0.0001(10) 0.0142(12) N32 0.0217(13) 0.0242(13) 0.0146(12) 0.0014(10) 0.0002(10) 0.0107(11) N33 0.0216(13) 0.0259(14) 0.0150(12) -0.0021(10) -0.0039(10) 0.0124(11) N34 0.0206(13) 0.0261(14) 0.0160(12) -0.0033(10) -0.0017(10) 0.0114(11) C35 0.0227(15) 0.0211(15) 0.0157(14) -0.0019(12) 0.0010(12) 0.0094(13) C36 0.0213(15) 0.0255(16) 0.0177(14) 0.0055(12) 0.0006(12) 0.0110(13) N1 0.0286(15) 0.0271(15) 0.0212(14) 0.0014(11) 0.0028(11) 0.0138(13) O11N 0.0379(15) 0.0409(16) 0.0305(14) 0.0125(12) -0.0029(12) 0.0126(13) O12N 0.0323(14) 0.0406(16) 0.0374(15) 0.0084(12) -0.0123(12) 0.0071(12) O13N 0.0383(15) 0.0266(13) 0.0379(15) 0.0087(11) -0.0044(12) 0.0094(12) N2 0.0313(15) 0.0246(14) 0.0198(13) -0.0004(11) -0.0017(12) 0.0117(12) O21N 0.079(3) 0.052(2) 0.0217(15) -0.0053(14) 0.0056(15) -0.0204(18) O22N 0.0270(12) 0.0253(12) 0.0307(13) -0.0073(10) -0.0069(10) 0.0107(10) O23N 0.0253(12) 0.0351(14) 0.0270(13) -0.0001(11) 0.0034(10) 0.0110(11) N3 0.0215(13) 0.0203(13) 0.0245(14) -0.0001(11) 0.0009(11) 0.0079(11) O31N 0.0389(14) 0.0263(13) 0.0250(13) -0.0078(10) -0.0023(11) 0.0100(12) O32N 0.0333(14) 0.0344(14) 0.0262(13) 0.0000(11) -0.0079(11) 0.0116(12) O33N 0.056(2) 0.0281(15) 0.099(3) -0.0056(16) -0.030(2) 0.0232(15) N4 0.066(3) 0.031(3) 0.029(3) -0.001(2) -0.002(2) 0.018(3) O41N 0.084(5) 0.047(4) 0.049(4) 0.007(4) 0.024(4) 0.022(4) O41' 0.065(4) 0.039(4) 0.019(3) 0.001(3) -0.004(3) 0.038(3) O42N 0.082(4) 0.055(4) 0.047(3) -0.005(3) 0.019(3) 0.025(3) O43N 0.049(3) 0.055(3) 0.027(3) 0.016(2) -0.001(3) 0.019(3) N5 0.074(4) 0.037(4) 0.029(4) 0.003(3) -0.006(3) 0.017(4) O51N 0.064(5) 0.041(4) 0.037(4) 0.005(4) -0.017(4) 0.025(4) O52N 0.065(5) 0.051(4) 0.030(4) 0.000(4) -0.002(4) 0.023(4) O53N 0.081(5) 0.030(4) 0.035(5) 0.001(4) 0.001(4) 0.009(4) O1W 0.0499(17) 0.0499(17) 0.0218(12) 0.0004(11) -0.0009(11) 0.0330(14) O2W 0.0502(17) 0.0453(16) 0.0181(12) 0.0016(11) 0.0000(11) 0.0303(14) O3W 0.080(3) 0.056(2) 0.060(2) -0.0135(18) -0.0011(19) 0.038(2) O4W 0.045(5) 0.031(4) 0.036(4) 0.000(3) 0.007(4) 0.021(4) O5W 0.046(5) 0.034(6) 0.037(4) 0.007(4) 0.001(3) 0.011(7) O6W 0.051(5) 0.046(7) 0.039(5) -0.001(4) 0.002(3) 0.021(7) O7W 0.076(4) 0.047(3) 0.014(2) -0.004(2) -0.004(3) 0.055(3) O8W 0.081(3) 0.043(3) 0.016(2) -0.003(2) -0.004(2) 0.047(3) O9W 0.074(4) 0.041(4) 0.012(3) -0.004(3) -0.002(3) 0.049(3) O10W 0.097(7) 0.063(6) 0.078(7) -0.012(5) -0.010(6) 0.046(6) O11W 0.069(9) 0.044(7) 0.074(9) 0.003(6) 0.005(7) 0.049(7) N6 0.048(9) 0.052(9) 0.034(8) -0.003(7) 0.007(7) 0.025(6) O61N 0.046(11) 0.054(11) 0.034(11) -0.002(9) 0.011(8) 0.026(8) O62N 0.049(11) 0.049(11) 0.030(11) 0.007(8) 0.008(8) 0.029(8) O63N 0.046(8) 0.046(8) 0.040(7) -0.006(6) 0.001(6) 0.025(5) N7 0.037(5) 0.035(5) 0.031(5) -0.010(3) 0.008(3) 0.016(3) O71N 0.036(5) 0.035(5) 0.029(5) -0.013(4) 0.007(4) 0.014(4) O72N 0.037(5) 0.035(5) 0.030(5) -0.011(4) 0.009(4) 0.017(4) O73N 0.039(5) 0.037(5) 0.033(5) -0.008(4) 0.008(4) 0.013(4) 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' Yb Yb -0.3850 5.5486 '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 O1M Yb1 O4M 133.63(11) . . ? O1M Yb1 O5M 71.58(11) . . ? O1M Yb1 O7M 129.19(10) . . ? O2M Yb1 O1M 75.70(10) . . ? O2M Yb1 O3M 90.00(11) . . ? O2M Yb1 O4M 69.95(10) . . ? O2M Yb1 O5M 75.46(10) . . ? O2M Yb1 O6M 145.18(10) . . ? O2M Yb1 O7M 143.84(10) . . ? O3M Yb1 O1M 73.47(12) . . ? O3M Yb1 O4M 76.31(11) . . ? O3M Yb1 O5M 144.47(12) . . ? O3M Yb1 O6M 96.78(11) . . ? O3M Yb1 O7M 76.23(12) . . ? O5M Yb1 O4M 125.66(11) . . ? O5M Yb1 O7M 132.79(10) . . ? O6M Yb1 O1M 73.67(10) . . ? O6M Yb1 O4M 144.82(10) . . ? O6M Yb1 O5M 79.47(10) . . ? O6M Yb1 O7M 70.54(10) . . ? O7M Yb1 O4M 74.32(10) . . ? O8M Yb1 O1M 142.85(12) . . ? O8M Yb1 O2M 101.78(12) . . ? O8M Yb1 O3M 143.46(12) . . ? O8M Yb1 O4M 75.63(11) . . ? O8M Yb1 O5M 71.97(11) . . ? O8M Yb1 O6M 92.87(11) . . ? O8M Yb1 O7M 74.01(11) . . ? O11 C11 N11 125.9(3) . . ? O11 C11 N12 125.4(3) . . ? N11 C11 N12 108.6(3) . . ? O12 C12 N13 125.3(3) . . ? O12 C12 N14 126.4(3) . . ? N14 C12 N13 108.4(3) . . ? C14 C13 H13 112.1 . . ? N11 C13 H13 112.1 . . ? N11 C13 C14 102.8(2) . . ? N11 C13 N14 114.0(3) . . ? N14 C13 H13 112.1 . . ? N14 C13 C14 103.1(2) . . ? C13 C14 H14 111.8 . . ? N12 C14 C13 103.2(2) . . ? N12 C14 H14 111.8 . . ? N13 C14 C13 103.4(2) . . ? N13 C14 H14 111.8 . . ? N13 C14 N12 114.3(3) . . ? C11 N11 C13 112.8(3) . . ? C11 N11 C25 123.6(3) . 3_565 ? C25 N11 C13 123.3(3) 3_565 . ? C11 N12 C14 112.5(3) . . ? C11 N12 C15 123.4(3) . . ? C15 N12 C14 123.7(3) . . ? C12 N13 C14 112.6(3) . . ? C12 N13 C16 122.5(3) . . ? C14 N13 C16 122.9(3) . . ? C12 N14 C13 112.5(3) . . ? C12 N14 C26 123.1(3) . 3_565 ? C13 N14 C26 122.4(3) . 3_565 ? N12 C15 H15A 108.7 . . ? N12 C15 H15B 108.7 . . ? N12 C15 N21 114.0(3) . . ? H15A C15 H15B 107.6 . . ? N21 C15 H15A 108.7 . . ? N21 C15 H15B 108.7 . . ? N13 C16 H16A 108.8 . . ? N13 C16 H16B 108.8 . . ? H16A C16 H16B 107.7 . . ? N24 C16 N13 113.8(3) . . ? N24 C16 H16A 108.8 . . ? N24 C16 H16B 108.8 . . ? O21 C21 N21 125.4(3) . . ? O21 C21 N22 125.7(3) . . ? N22 C21 N21 108.8(3) . . ? O22 C22 N23 124.9(3) . . ? O22 C22 N24 126.6(3) . . ? N24 C22 N23 108.5(3) . . ? C24 C23 H23 111.8 . . ? N21 C23 H23 111.8 . . ? N21 C23 C24 103.2(2) . . ? N24 C23 H23 111.8 . . ? N24 C23 C24 103.2(2) . . ? N24 C23 N21 114.2(3) . . ? C23 C24 H24 111.7 . . ? N22 C24 C23 103.3(2) . . ? N22 C24 H24 111.7 . . ? N22 C24 N23 114.7(3) . . ? N23 C24 C23 103.0(2) . . ? N23 C24 H24 111.7 . . ? C15 N21 C23 123.7(3) . . ? C21 N21 C15 122.1(3) . . ? C21 N21 C23 111.9(3) . . ? C21 N22 C24 112.5(3) . . ? C21 N22 C25 122.6(3) . . ? C24 N22 C25 123.5(3) . . ? C22 N23 C24 112.7(3) . . ? C22 N23 C26 122.7(3) . . ? C26 N23 C24 124.5(3) . . ? C16 N24 C23 123.7(2) . . ? C22 N24 C16 123.6(3) . . ? C22 N24 C23 112.5(2) . . ? N11 C25 N22 113.6(3) 2_665 . ? N11 C25 H25A 108.8 2_665 . ? N11 C25 H25B 108.8 2_665 . ? N22 C25 H25A 108.8 . . ? N22 C25 H25B 108.8 . . ? H25A C25 H25B 107.7 . . ? N14 C26 H26A 108.8 2_665 . ? N14 C26 H26B 108.8 2_665 . ? N23 C26 N14 113.9(3) . 2_665 ? N23 C26 H26A 108.8 . . ? N23 C26 H26B 108.8 . . ? H26A C26 H26B 107.7 . . ? O31 C31 N31 126.8(3) . . ? O31 C31 N32 124.6(3) . . ? N31 C31 N32 108.6(3) . . ? O32 C32 N33 125.4(3) . . ? O32 C32 N34 126.1(3) . . ? N33 C32 N34 108.4(3) . . ? C34 C33 H33 111.8 . . ? N31 C33 H33 111.8 . . ? N31 C33 C34 103.0(2) . . ? N34 C33 H33 111.8 . . ? N34 C33 C34 103.3(2) . . ? N34 C33 N31 114.5(3) . . ? C33 C34 H34 111.7 . . ? N32 C34 C33 103.3(2) . . ? N32 C34 H34 111.7 . . ? N32 C34 N33 114.7(3) . . ? N33 C34 C33 103.2(2) . . ? N33 C34 H34 111.7 . . ? C31 N31 C33 112.6(3) . . ? C31 N31 C36 124.0(3) . 14_455 ? C36 N31 C33 123.4(3) 14_455 . ? C31 N32 C34 112.5(3) . . ? C31 N32 C35 123.9(3) . . ? C35 N32 C34 123.6(3) . . ? C32 N33 C34 112.3(3) . . ? C32 N33 C36 122.4(3) . . ? C36 N33 C34 122.2(3) . . ? C32 N34 C33 112.4(3) . . ? C32 N34 C35 122.7(3) . 14_455 ? C33 N34 C35 122.0(3) . 14_455 ? N32 C35 N34 114.3(3) . 15 ? N32 C35 H35A 108.7 . . ? N32 C35 H35B 108.7 . . ? N34 C35 H35A 108.7 15 . ? N34 C35 H35B 108.7 15 . ? H35A C35 H35B 107.6 . . ? N31 C36 H36A 108.7 15 . ? N31 C36 H36B 108.7 15 . ? N33 C36 N31 114.1(3) . 15 ? N33 C36 H36A 108.7 . . ? N33 C36 H36B 108.7 . . ? H36A C36 H36B 107.6 . . ? O12N N1 O11N 119.8(3) . . ? O13N N1 O11N 119.9(3) . . ? O13N N1 O12N 120.1(3) . . ? O21N N2 O23N 119.6(3) . . ? O22N N2 O21N 119.6(3) . . ? O22N N2 O23N 120.8(3) . . ? O32N N3 O31N 120.4(3) . . ? O33N N3 O31N 119.4(3) . . ? O33N N3 O32N 120.2(3) . . ? O41N N4 O41' 49.9(8) . . ? O41N N4 O42N 117.0(7) . . ? O41N N4 O43N 117.9(9) . . ? O42N N4 O41' 116.7(6) . . ? O43N N4 O41' 118.5(6) . . ? O43N N4 O42N 118.7(6) . . ? O52N N5 O51N 117.7(8) . . ? O53N N5 O51N 124.4(11) . . ? O53N N5 O52N 117.9(8) . . ? O62N N6 O61N 119.6(7) . . ? O63N N6 O61N 119.5(7) . . ? O63N N6 O62N 120.9(7) . . ? O71N N7 O72N 120.4(7) . . ? O73N N7 O71N 120.1(7) . . ? O73N N7 O72N 119.5(7) . . ? 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 Yb1 O1M 2.330(3) . yes Yb1 O2M 2.290(2) . yes Yb1 O3M 2.296(3) . yes Yb1 O4M 2.362(3) . yes Yb1 O5M 2.342(3) . yes Yb1 O6M 2.315(2) . yes Yb1 O7M 2.345(3) . yes Yb1 O8M 2.273(3) . yes O11 C11 1.235(4) . ? O12 C12 1.228(4) . ? C11 N11 1.358(4) . ? C11 N12 1.361(4) . ? C12 N13 1.368(4) . ? C12 N14 1.366(4) . ? C13 H13 1.0000 . ? C13 C14 1.554(4) . ? C13 N11 1.451(4) . ? C13 N14 1.451(4) . ? C14 H14 1.0000 . ? C14 N12 1.450(4) . ? C14 N13 1.442(4) . ? N11 C25 1.447(4) 3_565 ? N12 C15 1.441(4) . ? N13 C16 1.448(4) . ? N14 C26 1.453(4) 3_565 ? C15 H15A 0.9900 . ? C15 H15B 0.9900 . ? C15 N21 1.454(4) . ? C16 H16A 0.9900 . ? C16 H16B 0.9900 . ? C16 N24 1.444(4) . ? O21 C21 1.234(4) . ? O22 C22 1.229(4) . ? C21 N21 1.367(4) . ? C21 N22 1.360(4) . ? C22 N23 1.365(4) . ? C22 N24 1.360(4) . ? C23 H23 1.0000 . ? C23 C24 1.553(4) . ? C23 N21 1.455(4) . ? C23 N24 1.453(4) . ? C24 H24 1.0000 . ? C24 N22 1.447(4) . ? C24 N23 1.449(4) . ? N22 C25 1.454(4) . ? N23 C26 1.441(4) . ? C25 H25A 0.9900 . ? C25 H25B 0.9900 . ? C26 H26A 0.9900 . ? C26 H26B 0.9900 . ? O31 C31 1.234(4) . ? O32 C32 1.224(4) . ? C31 N31 1.358(4) . ? C31 N32 1.365(4) . ? C32 N33 1.367(4) . ? C32 N34 1.367(4) . ? C33 H33 1.0000 . ? C33 C34 1.552(4) . ? C33 N31 1.455(4) . ? C33 N34 1.447(4) . ? C34 H34 1.0000 . ? C34 N32 1.450(4) . ? C34 N33 1.450(4) . ? N31 C36 1.445(4) 14_455 ? N32 C35 1.441(4) . ? N33 C36 1.443(4) . ? N34 C35 1.448(4) 14_455 ? C35 H35A 0.9900 . ? C35 H35B 0.9900 . ? C36 H36A 0.9900 . ? C36 H36B 0.9900 . ? N1 O11N 1.257(4) . ? N1 O12N 1.251(4) . ? N1 O13N 1.234(4) . ? N2 O21N 1.242(4) . ? N2 O22N 1.240(4) . ? N2 O23N 1.257(4) . ? N3 O31N 1.250(4) . ? N3 O32N 1.238(4) . ? N3 O33N 1.234(4) . ? N4 O41N 1.243(7) . ? N4 O41' 1.267(6) . ? N4 O42N 1.258(6) . ? N4 O43N 1.244(6) . ? N5 O51N 1.260(7) . ? N5 O52N 1.251(7) . ? N5 O53N 1.249(7) . ? N6 O61N 1.247(7) . ? N6 O62N 1.242(7) . ? N6 O63N 1.241(7) . ? N7 O71N 1.240(7) . ? N7 O72N 1.246(7) . ? N7 O73N 1.237(7) . ?