#------------------------------------------------------------------------------
#$Date: 2019-11-17 09:02:01 +0200 (Sun, 17 Nov 2019) $
#$Revision: 228993 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/97/7229752.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_7229752
loop_
_publ_author_name
'Zhu, Mei'
'Jia, Lingjie'
'Li, Yang'
'Li, Yungai'
'Zhang, Li'
'Zhang, Wei'
'Lü, Yaohong'
_publ_section_title
;
 Nitronyl nitroxide bridged 3d--4f hetero-tri-spin chains: synthesis
 strategy, crystal structure and magnetic properties
;
_journal_issue                   4
_journal_name_full               CrystEngComm
_journal_page_first              420
_journal_paper_doi               10.1039/C7CE01962A
_journal_volume                  20
_journal_year                    2018
_chemical_formula_sum            'C119 H95 Cu F66 N8 O34 Yb3'
_chemical_formula_weight         4017.70
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2017-09-21 deposited with the CCDC.
2017-12-14 downloaded from the CCDC.
;
_cell_angle_alpha                90.0240(10)
_cell_angle_beta                 107.316(2)
_cell_angle_gamma                114.248(3)
_cell_formula_units_Z            2
_cell_length_a                   19.914(4)
_cell_length_b                   19.939(4)
_cell_length_c                   21.671(4)
_cell_measurement_reflns_used    26229
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.9
_cell_measurement_theta_min      1.4
_cell_volume                     7415(3)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0436
_diffrn_reflns_av_sigmaI/netI    0.0726
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            77132
_diffrn_reflns_theta_full        27.91
_diffrn_reflns_theta_max         27.91
_diffrn_reflns_theta_min         1.40
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.173
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.824
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.799
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             3939
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.002
_refine_diff_density_min         -1.301
_refine_diff_density_rms         0.117
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2096
_refine_ls_number_reflns         34907
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.003
_refine_ls_R_factor_all          0.0561
_refine_ls_R_factor_gt           0.0441
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0400P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0883
_refine_ls_wR_factor_ref         0.0941
_reflns_number_gt                29477
_reflns_number_total             34907
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7ce01962a2.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7229746--7229753.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7229752
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Yb3 Yb -0.002507(9) 0.330563(9) 0.203076(7) 0.01563(4) Uani 1 1 d .
Yb2 Yb 0.287481(9) 0.100784(9) 0.236686(8) 0.01685(4) Uani 1 1 d .
Yb1 Yb 0.765027(9) -0.400702(9) 0.209108(7) 0.01438(4) Uani 1 1 d .
Cu1 Cu 0.54860(3) -0.14753(3) 0.28867(2) 0.02107(10) Uani 1 1 d .
O28 O 0.08322(15) 0.36710(15) 0.30971(12) 0.0198(6) Uani 1 1 d .
F8 F 0.93723(14) -0.25978(14) 0.46978(11) 0.0316(6) Uani 1 1 d .
F9 F 0.98448(14) -0.22758(15) 0.39161(12) 0.0390(7) Uani 1 1 d .
O11 O 0.61291(15) -0.11402(15) 0.23282(13) 0.0232(6) Uani 1 1 d .
O13 O 0.48899(16) -0.20149(15) 0.34298(13) 0.0224(6) Uani 1 1 d .
F4 F 0.49197(14) -0.59369(14) 0.15350(13) 0.0345(6) Uani 1 1 d .
O4 O 0.73373(14) -0.42020(14) 0.09727(12) 0.0174(5) Uani 1 1 d .
F1 F 0.84236(15) -0.57379(15) 0.34795(13) 0.0383(6) Uani 1 1 d .
O10 O 0.63743(15) -0.10438(15) 0.36797(12) 0.0204(6) Uani 1 1 d .
F47 F 0.18588(15) 0.21017(15) 0.37263(13) 0.0395(7) Uani 1 1 d .
O5 O 0.85776(14) -0.33492(14) 0.30528(12) 0.0185(6) Uani 1 1 d .
O3 O 0.84228(14) -0.29059(14) 0.18332(12) 0.0172(5) Uani 1 1 d .
F56 F 0.18828(16) 0.57974(14) 0.16394(13) 0.0390(6) Uani 1 1 d .
N7 N -0.03504(18) 0.47756(18) 0.24512(15) 0.0188(7) Uani 1 1 d .
O19 O 0.20884(15) -0.00220(14) 0.15997(12) 0.0203(6) Uani 1 1 d .
F20 F 0.75018(15) -0.05713(14) 0.48317(11) 0.0359(6) Uani 1 1 d .
F55 F 0.24877(14) 0.54195(14) 0.24453(12) 0.0372(6) Uani 1 1 d .
O21 O 0.25721(15) 0.15988(14) 0.30920(12) 0.0211(6) Uani 1 1 d .
N1 N 0.63488(17) -0.32606(17) 0.18098(14) 0.0158(6) Uani 1 1 d .
F7 F 0.97454(15) -0.33058(15) 0.42801(13) 0.0400(7) Uani 1 1 d .
F34 F 0.10544(16) -0.11752(15) 0.30336(13) 0.0450(7) Uani 1 1 d .
F62 F -0.27326(16) 0.13911(14) 0.11462(14) 0.0433(7) Uani 1 1 d .
O8 O 0.53637(15) -0.27182(14) 0.25974(13) 0.0209(6) Uani 1 1 d .
F5 F 0.53417(15) -0.61867(15) 0.08054(12) 0.0395(7) Uani 1 1 d .
O26 O 0.02285(16) 0.30124(14) 0.11197(13) 0.0222(6) Uani 1 1 d .
O16 O 0.23335(16) -0.20486(16) 0.38419(14) 0.0286(7) Uani 1 1 d .
F27 F 0.40969(16) -0.24861(14) 0.42952(12) 0.0359(6) Uani 1 1 d .
O2 O 0.65336(15) -0.50654(14) 0.16821(12) 0.0190(6) Uani 1 1 d .
O34 O -0.38249(16) 0.22690(15) 0.08939(13) 0.0245(6) Uani 1 1 d .
O30 O -0.11976(15) 0.23975(14) 0.14067(12) 0.0202(6) Uani 1 1 d .
O7 O 0.69555(15) -0.33180(14) 0.17446(12) 0.0177(5) Uani 1 1 d .
F64 F -0.08943(17) 0.48683(14) 0.05339(13) 0.0434(7) Uani 1 1 d .
F61 F -0.22188(15) 0.10594(15) 0.05493(16) 0.0491(8) Uani 1 1 d .
F29 F 0.33539(15) -0.14438(14) 0.13573(13) 0.0368(6) Uani 1 1 d .
N6 N 0.05992(18) 0.19172(17) 0.20616(15) 0.0184(7) Uani 1 1 d .
F17 F 0.90093(16) -0.15504(14) 0.08485(13) 0.0441(7) Uani 1 1 d .
F59 F 0.08422(17) 0.34633(15) -0.02397(12) 0.0417(7) Uani 1 1 d .
F15 F 0.73822(16) -0.37571(15) -0.05724(12) 0.0436(7) Uani 1 1 d .
C79 C 0.1314(2) 0.2053(2) 0.20418(17) 0.0172(8) Uani 1 1 d .
F28 F 0.25289(14) -0.24768(15) 0.15080(14) 0.0435(7) Uani 1 1 d .
O27 O 0.10796(15) 0.42927(14) 0.20197(12) 0.0197(6) Uani 1 1 d .
F48 F 0.29530(17) 0.29003(15) 0.43686(14) 0.0492(8) Uani 1 1 d .
O1 O 0.78346(15) -0.48979(14) 0.27276(12) 0.0190(6) Uani 1 1 d .
O32 O -0.02506(15) 0.41814(15) 0.25558(13) 0.0209(6) Uani 1 1 d .
O9 O 0.90309(15) -0.12489(16) 0.44470(13) 0.0251(6) Uani 1 1 d .
O22 O 0.38786(16) 0.21637(15) 0.26781(13) 0.0228(6) Uani 1 1 d .
O23 O 0.18422(15) 0.12850(14) 0.17609(13) 0.0198(6) Uani 1 1 d .
F3 F 0.72850(16) -0.65638(15) 0.33820(14) 0.0499(8) Uani 1 1 d .
O25 O 0.40278(16) 0.47168(15) 0.28267(14) 0.0295(7) Uani 1 1 d .
F18 F 0.97107(15) -0.17158(15) 0.17286(15) 0.0495(8) Uani 1 1 d .
N8 N -0.08796(18) 0.55243(17) 0.21071(15) 0.0189(7) Uani 1 1 d .
N4 N 0.42806(19) 0.04485(17) 0.23518(16) 0.0197(7) Uani 1 1 d .
N2 N 0.56060(18) -0.29701(17) 0.22053(15) 0.0169(6) Uani 1 1 d .
F65 F -0.18415(16) 0.40211(15) -0.01991(13) 0.0471(7) Uani 1 1 d .
F24 F 0.79997(15) -0.02350(18) 0.22239(14) 0.0539(9) Uani 1 1 d .
O24 O 0.04110(15) 0.24025(14) 0.22689(13) 0.0201(6) Uani 1 1 d .
O29 O -0.07206(15) 0.26720(15) 0.26879(13) 0.0214(6) Uani 1 1 d .
O31 O -0.05437(15) 0.38732(14) 0.12127(13) 0.0214(6) Uani 1 1 d .
F6 F 0.51646(16) -0.68890(13) 0.15445(15) 0.0490(8) Uani 1 1 d .
O15 O 0.36205(15) 0.04841(15) 0.21224(13) 0.0209(6) Uani 1 1 d .
O33 O -0.13841(15) 0.57737(14) 0.18393(13) 0.0204(6) Uani 1 1 d .
O18 O 0.21236(16) 0.01076(14) 0.28373(12) 0.0217(6) Uani 1 1 d .
F44 F 0.52617(15) 0.36533(15) 0.38826(14) 0.0451(8) Uani 1 1 d .
C85 C 0.2586(2) 0.2928(2) 0.19386(19) 0.0213(8) Uani 1 1 d .
H85 H 0.2527 0.2591 0.1607 0.026 Uiso 1 1 calc R
F58 F -0.02961(15) 0.27478(16) -0.02052(13) 0.0459(8) Uani 1 1 d .
F30 F 0.33119(16) -0.24686(17) 0.10016(13) 0.0464(8) Uani 1 1 d .
F45 F 0.50279(16) 0.36469(16) 0.28529(15) 0.0517(8) Uani 1 1 d .
F22 F 0.70407(17) -0.11863(15) 0.16252(13) 0.0453(8) Uani 1 1 d .
F10 F 0.66915(17) -0.38773(18) 0.42861(14) 0.0571(9) Uani 1 1 d .
N3 N 0.51857(19) 0.01102(18) 0.28587(17) 0.0220(7) Uani 1 1 d .
C23 C 0.7024(2) -0.2429(2) 0.28791(17) 0.0166(8) Uani 1 1 d .
F23 F 0.69877(19) -0.01383(18) 0.16106(15) 0.0548(9) Uani 1 1 d .
C47 C 0.4172(2) -0.0701(2) 0.3668(2) 0.0224(8) Uani 1 1 d .
H47 H 0.4703 -0.0464 0.3900 0.027 Uiso 1 1 calc R
F14 F 0.63424(16) -0.43140(19) -0.03330(13) 0.0625(10) Uani 1 1 d .
O17 O 0.37197(16) 0.09961(15) 0.33610(13) 0.0237(6) Uani 1 1 d .
C109 C -0.2312(2) 0.4200(2) 0.12187(17) 0.0181(8) Uani 1 1 d .
H109 H -0.2206 0.4647 0.1049 0.022 Uiso 1 1 calc R
C18 C 0.5620(2) -0.3498(2) 0.12456(18) 0.0184(8) Uani 1 1 d .
O20 O 0.30279(16) 0.14030(15) 0.13923(13) 0.0228(6) Uani 1 1 d .
O14 O 0.55344(16) -0.02487(15) 0.31995(14) 0.0253(6) Uani 1 1 d .
F16 F 0.87902(18) -0.14213(14) 0.17297(16) 0.0544(9) Uani 1 1 d .
C35 C 0.6856(2) -0.0734(2) 0.25393(19) 0.0208(8) Uani 1 1 d .
C110 C -0.1770(2) 0.4158(2) 0.17852(18) 0.0190(8) Uani 1 1 d .
F66 F -0.06673(18) 0.42496(16) -0.01208(14) 0.0508(8) Uani 1 1 d .
F50 F 0.13683(17) 0.41934(18) 0.47399(14) 0.0559(9) Uani 1 1 d .
C33 C 0.7039(2) -0.0581(2) 0.36863(18) 0.0202(8) Uani 1 1 d .
F2 F 0.7719(2) -0.54904(19) 0.39310(13) 0.0598(10) Uani 1 1 d .
C20 C 0.5042(2) -0.3524(2) 0.16070(18) 0.0180(8) Uani 1 1 d .
C82 C 0.2760(2) 0.3935(2) 0.29254(19) 0.0216(8) Uani 1 1 d .
H82 H 0.2819 0.4275 0.3255 0.026 Uiso 1 1 calc R
C11 C 0.8992(2) -0.1830(2) 0.1399(2) 0.0262(9) Uani 1 1 d .
C12 C 0.8424(2) -0.2650(2) 0.13042(19) 0.0182(8) Uani 1 1 d .
F31 F 0.42927(18) 0.0570(2) 0.49326(14) 0.0648(10) Uani 1 1 d .
C25 C 0.8414(2) -0.1683(2) 0.33337(18) 0.0200(8) Uani 1 1 d .
H25 H 0.8899 -0.1451 0.3278 0.024 Uiso 1 1 calc R
C7 C 0.8579(2) -0.3276(2) 0.36254(18) 0.0190(8) Uani 1 1 d .
F46 F 0.26077(19) 0.17406(17) 0.44227(14) 0.0518(8) Uani 1 1 d .
F63 F -0.29869(16) 0.15659(16) 0.01515(15) 0.0567(9) Uani 1 1 d .
C14 C 0.7508(2) -0.3776(2) 0.05654(18) 0.0195(8) Uani 1 1 d .
C21 C 0.4427(2) -0.3272(2) 0.1251(2) 0.0269(9) Uani 1 1 d .
H21A H 0.4102 -0.3304 0.1511 0.040 Uiso 1 1 calc R
H21B H 0.4113 -0.3585 0.0840 0.040 Uiso 1 1 calc R
H21C H 0.4674 -0.2767 0.1177 0.040 Uiso 1 1 calc R
F39 F 0.12004(19) -0.11302(17) 0.00909(13) 0.0596(9) Uani 1 1 d .
C106 C -0.4306(2) 0.2242(2) 0.02441(19) 0.0291(10) Uani 1 1 d .
H10A H -0.3991 0.2389 -0.0041 0.035 Uiso 1 1 calc R
H10B H -0.4539 0.2584 0.0244 0.035 Uiso 1 1 calc R
C76 C -0.0760(2) 0.0983(2) 0.1539(2) 0.0253(9) Uani 1 1 d .
H76A H -0.0980 0.1179 0.1790 0.038 Uiso 1 1 calc R
H76B H -0.1081 0.0460 0.1404 0.038 Uiso 1 1 calc R
H76C H -0.0736 0.1231 0.1161 0.038 Uiso 1 1 calc R
F35 F 0.16030(17) -0.09023(16) 0.40659(13) 0.0493(8) Uani 1 1 d .
C113 C -0.1028(2) 0.4799(2) 0.21007(18) 0.0186(8) Uani 1 1 d .
C102 C 0.0761(2) 0.3578(2) 0.36425(19) 0.0236(9) Uani 1 1 d .
F57 F 0.26523(16) 0.53521(16) 0.15159(16) 0.0554(9) Uani 1 1 d .
C22 C 0.6352(2) -0.2876(2) 0.23247(17) 0.0152(7) Uani 1 1 d .
C97 C -0.1712(2) 0.2351(2) 0.08865(19) 0.0210(8) Uani 1 1 d .
C50 C 0.2594(2) -0.1436(2) 0.29626(19) 0.0216(8) Uani 1 1 d .
H50 H 0.2068 -0.1693 0.2724 0.026 Uiso 1 1 calc R
F43 F 0.54446(15) 0.28927(16) 0.33344(16) 0.0514(8) Uani 1 1 d .
F60 F 0.06568(17) 0.24467(15) 0.01663(13) 0.0451(7) Uani 1 1 d .
C83 C 0.3341(2) 0.4091(2) 0.2644(2) 0.0230(9) Uani 1 1 d .
C95 C -0.1113(2) 0.3628(2) 0.06985(18) 0.0216(8) Uani 1 1 d .
C90 C 0.0647(2) 0.3400(2) 0.08062(19) 0.0231(9) Uani 1 1 d .
F19 F 0.83086(16) 0.01872(19) 0.44202(13) 0.0610(10) Uani 1 1 d .
C81 C 0.2098(2) 0.3278(2) 0.27149(19) 0.0209(8) Uani 1 1 d .
H81 H 0.1708 0.3178 0.2902 0.025 Uiso 1 1 calc R
C61 C 0.2230(2) -0.0067(2) 0.34018(19) 0.0217(8) Uani 1 1 d .
C34 C 0.7326(2) -0.0418(2) 0.31699(19) 0.0212(8) Uani 1 1 d .
H34 H 0.7846 -0.0090 0.3250 0.025 Uiso 1 1 calc R
F21 F 0.73504(18) 0.03794(15) 0.44943(13) 0.0504(8) Uani 1 1 d .
C2 C 0.7368(2) -0.5526(2) 0.27957(18) 0.0193(8) Uani 1 1 d .
F54 F -0.1516(2) 0.14410(17) 0.31914(18) 0.0716(11) Uani 1 1 d .
F13 F 0.7148(2) -0.47944(16) -0.02179(14) 0.0640(10) Uani 1 1 d .
C45 C 0.2880(2) -0.1558(2) 0.3603(2) 0.0223(8) Uani 1 1 d .
C27 C 0.7617(2) -0.1942(2) 0.40345(18) 0.0192(8) Uani 1 1 d .
H27 H 0.7566 -0.1888 0.4443 0.023 Uiso 1 1 calc R
C37 C 0.3864(3) -0.2886(2) 0.3731(2) 0.0315(10) Uani 1 1 d .
C24 C 0.7766(2) -0.2081(2) 0.28099(18) 0.0187(8) Uani 1 1 d .
H24 H 0.7817 -0.2123 0.2401 0.022 Uiso 1 1 calc R
C36 C 0.7225(2) -0.0566(2) 0.1993(2) 0.0270(9) Uani 1 1 d .
O6 O 0.69736(15) -0.40974(14) 0.28095(12) 0.0179(5) Uani 1 1 d .
F52 F -0.11415(18) 0.2108(2) 0.41039(14) 0.0644(10) Uani 1 1 d .
C38 C 0.4166(2) -0.2410(2) 0.3224(2) 0.0227(9) Uani 1 1 d .
C92 C 0.1430(2) 0.4498(2) 0.16094(19) 0.0197(8) Uani 1 1 d .
C28 C 0.6962(2) -0.2341(2) 0.34961(18) 0.0180(8) Uani 1 1 d .
H28 H 0.6474 -0.2553 0.3548 0.022 Uiso 1 1 calc R
C4 C 0.6249(2) -0.5687(2) 0.18645(18) 0.0193(8) Uani 1 1 d .
C3 C 0.6596(2) -0.5956(2) 0.23989(19) 0.0210(8) Uani 1 1 d .
H3 H 0.6315 -0.6424 0.2494 0.025 Uiso 1 1 calc R
F40 F 0.2886(3) 0.2200(2) 0.03893(19) 0.0861(14) Uani 1 1 d .
C10 C 0.6522(3) -0.4243(3) 0.3709(2) 0.0298(10) Uani 1 1 d .
C40 C 0.3868(2) -0.2071(2) 0.21382(19) 0.0220(8) Uani 1 1 d .
C48 C 0.3898(2) -0.0556(2) 0.30379(18) 0.0174(8) Uani 1 1 d .
F38 F 0.07616(19) -0.11866(18) 0.08601(19) 0.0813(14) Uani 1 1 d .
F53 F -0.18911(17) 0.2283(2) 0.32510(17) 0.0624(10) Uani 1 1 d .
C112 C -0.2647(2) 0.2880(2) 0.17439(18) 0.0199(8) Uani 1 1 d .
H112 H -0.2765 0.2441 0.1926 0.024 Uiso 1 1 calc R
C49 C 0.3096(2) -0.0932(2) 0.26857(19) 0.0202(8) Uani 1 1 d .
H49 H 0.2905 -0.0840 0.2264 0.024 Uiso 1 1 calc R
C67 C 0.2602(3) 0.2235(2) 0.4014(2) 0.0274(9) Uani 1 1 d .
C9 C 0.7192(2) -0.3939(2) 0.34225(18) 0.0195(8) Uani 1 1 d .
C77 C 0.0055(2) 0.1108(2) 0.19536(19) 0.0203(8) Uani 1 1 d .
F36 F 0.10417(19) -0.02686(18) 0.35457(18) 0.0634(10) Uani 1 1 d .
C100 C -0.0589(2) 0.2678(2) 0.3290(2) 0.0239(9) Uani 1 1 d .
C108 C -0.3001(2) 0.3585(2) 0.09096(18) 0.0211(8) Uani 1 1 d .
H108 H -0.3351 0.3617 0.0529 0.025 Uiso 1 1 calc R
C41 C 0.3255(2) -0.2117(2) 0.1496(2) 0.0277(9) Uani 1 1 d .
C116 C 0.0278(2) 0.6154(2) 0.1793(2) 0.0302(10) Uani 1 1 d .
H11A H 0.0212 0.5689 0.1599 0.045 Uiso 1 1 calc R
H11B H 0.0821 0.6494 0.1938 0.045 Uiso 1 1 calc R
H11C H -0.0010 0.6358 0.1476 0.045 Uiso 1 1 calc R
F41 F 0.37490(19) 0.1842(2) 0.04345(17) 0.0702(11) Uani 1 1 d .
C59 C 0.3617(2) 0.0709(2) 0.38597(19) 0.0257(9) Uani 1 1 d .
F12 F 0.59003(17) -0.4183(2) 0.33348(15) 0.0761(12) Uani 1 1 d .
F37 F 0.1738(2) -0.14034(17) 0.09805(19) 0.0891(14) Uani 1 1 d .
C107 C -0.3174(2) 0.2914(2) 0.11668(18) 0.0205(8) Uani 1 1 d .
F32 F 0.4472(2) 0.1661(2) 0.47193(17) 0.0900(14) Uani 1 1 d .
C64 C 0.4133(2) 0.2629(2) 0.3178(2) 0.0213(8) Uani 1 1 d .
C101 C 0.0098(3) 0.3111(3) 0.3789(2) 0.0332(11) Uani 1 1 d .
H101 H 0.0116 0.3090 0.4222 0.040 Uiso 1 1 calc R
C115 C 0.0127(2) 0.6763(2) 0.2725(2) 0.0287(10) Uani 1 1 d .
H11D H -0.0060 0.7042 0.2415 0.043 Uiso 1 1 calc R
H11E H 0.0676 0.7044 0.2944 0.043 Uiso 1 1 calc R
H11F H -0.0142 0.6664 0.3040 0.043 Uiso 1 1 calc R
C89 C 0.0456(3) 0.3011(2) 0.0121(2) 0.0305(10) Uani 1 1 d .
C51 C 0.4436(2) -0.0013(2) 0.27567(18) 0.0186(8) Uani 1 1 d .
C57 C 0.5007(3) 0.1617(2) 0.1967(2) 0.0312(10) Uani 1 1 d .
H57A H 0.4536 0.1591 0.1656 0.047 Uiso 1 1 calc R
H57B H 0.5435 0.1867 0.1807 0.047 Uiso 1 1 calc R
H57C H 0.5103 0.1886 0.2375 0.047 Uiso 1 1 calc R
C46 C 0.3670(2) -0.1191(2) 0.39564(19) 0.0227(8) Uani 1 1 d .
H46 H 0.3858 -0.1274 0.4382 0.027 Uiso 1 1 calc R
C96 C -0.1710(2) 0.2912(2) 0.04975(18) 0.0231(9) Uani 1 1 d .
H96 H -0.2110 0.2806 0.0103 0.028 Uiso 1 1 calc R
C16 C 0.5424(2) -0.4236(2) 0.08709(19) 0.0268(9) Uani 1 1 d .
H16A H 0.5831 -0.4180 0.0696 0.040 Uiso 1 1 calc R
H16B H 0.4941 -0.4388 0.0520 0.040 Uiso 1 1 calc R
H16C H 0.5377 -0.4605 0.1160 0.040 Uiso 1 1 calc R
C71 C 0.1951(2) -0.0161(2) 0.09990(19) 0.0233(9) Uani 1 1 d .
C118 C 0.0135(3) 0.5555(2) 0.34891(19) 0.0301(10) Uani 1 1 d .
H11G H -0.0383 0.5503 0.3427 0.045 Uiso 1 1 calc R
H11H H 0.0507 0.6023 0.3750 0.045 Uiso 1 1 calc R
H11I H 0.0207 0.5159 0.3707 0.045 Uiso 1 1 calc R
F51 F 0.19731(19) 0.4635(2) 0.40784(15) 0.0837(13) Uani 1 1 d .
C80 C 0.1999(2) 0.2756(2) 0.22233(18) 0.0173(8) Uani 1 1 d .
C103 C 0.1508(3) 0.4016(3) 0.4228(2) 0.0365(11) Uani 1 1 d .
C29 C 0.9018(2) -0.1248(2) 0.51100(18) 0.0259(9) Uani 1 1 d .
H29A H 0.8739 -0.1750 0.5189 0.031 Uiso 1 1 calc R
H29B H 0.8760 -0.0952 0.5189 0.031 Uiso 1 1 calc R
C56 C 0.4923(2) 0.0835(2) 0.2066(2) 0.0236(9) Uani 1 1 d .
C65 C 0.3749(2) 0.2673(2) 0.36085(19) 0.0245(9) Uani 1 1 d .
H65 H 0.4005 0.3054 0.3959 0.029 Uiso 1 1 calc R
C60 C 0.2921(2) 0.0191(2) 0.39237(19) 0.0249(9) Uani 1 1 d .
H60 H 0.2919 0.0017 0.4321 0.030 Uiso 1 1 calc R
C119 C 0.0251(2) 0.5524(2) 0.28270(19) 0.0202(8) Uani 1 1 d .
C68 C 0.2990(3) 0.1595(3) 0.0324(2) 0.0405(12) Uani 1 1 d .
F42 F 0.2636(2) 0.1295(2) -0.02834(15) 0.0869(13) Uani 1 1 d .
C5 C 0.5412(2) -0.6185(2) 0.1436(2) 0.0261(9) Uani 1 1 d .
F33 F 0.49719(17) 0.10695(19) 0.43289(15) 0.0601(9) Uani 1 1 d .
C70 C 0.2223(2) 0.0336(3) 0.05824(19) 0.0300(10) Uani 1 1 d .
H70 H 0.2061 0.0168 0.0139 0.036 Uiso 1 1 calc R
C26 C 0.8346(2) -0.1624(2) 0.39574(18) 0.0203(8) Uani 1 1 d .
C52 C 0.5616(2) 0.0793(2) 0.2594(2) 0.0273(9) Uani 1 1 d .
C58 C 0.4344(3) 0.1000(3) 0.4469(2) 0.0385(12) Uani 1 1 d .
F49 F 0.1899(2) 0.3614(2) 0.44151(17) 0.0873(14) Uani 1 1 d .
C63 C 0.4978(3) 0.3216(2) 0.3318(2) 0.0329(11) Uani 1 1 d .
C111 C -0.1952(2) 0.3491(2) 0.20479(18) 0.0187(8) Uani 1 1 d .
H111 H -0.1603 0.3458 0.2429 0.022 Uiso 1 1 calc R
C31 C 1.0167(3) -0.0327(3) 0.5957(2) 0.0440(13) Uani 1 1 d .
H31A H 0.9884 -0.0066 0.5995 0.053 Uiso 1 1 calc R
H31B H 1.0687 -0.0155 0.6215 0.053 Uiso 1 1 calc R
F25 F 0.4121(3) -0.33867(19) 0.3822(2) 0.0971(17) Uani 1 1 d .
C17 C 0.4676(2) -0.4266(2) 0.18449(19) 0.0266(9) Uani 1 1 d .
H17A H 0.5073 -0.4421 0.2060 0.040 Uiso 1 1 calc R
H17B H 0.4297 -0.4632 0.1479 0.040 Uiso 1 1 calc R
H17C H 0.4426 -0.4211 0.2146 0.040 Uiso 1 1 calc R
C114 C -0.0019(2) 0.6032(2) 0.2371(2) 0.0215(8) Uani 1 1 d .
C69 C 0.2735(2) 0.1081(3) 0.0817(2) 0.0275(9) Uani 1 1 d .
C105 C -0.4924(3) 0.1479(3) 0.0002(2) 0.0363(11) Uani 1 1 d .
H105 H -0.5239 0.1266 0.0256 0.044 Uiso 1 1 calc R
C15 C 0.7093(3) -0.4165(3) -0.0149(2) 0.0323(10) Uani 1 1 d .
C55 C 0.4668(3) 0.0360(2) 0.1412(2) 0.0314(10) Uani 1 1 d .
H55A H 0.4625 -0.0128 0.1487 0.047 Uiso 1 1 calc R
H55B H 0.5048 0.0585 0.1197 0.047 Uiso 1 1 calc R
H55C H 0.4172 0.0325 0.1143 0.047 Uiso 1 1 calc R
C84 C 0.3244(2) 0.3585(2) 0.21424(19) 0.0234(9) Uani 1 1 d .
H84 H 0.3627 0.3694 0.1947 0.028 Uiso 1 1 calc R
C117 C 0.1068(2) 0.5618(2) 0.2906(2) 0.0310(10) Uani 1 1 d .
H11J H 0.1170 0.5252 0.3156 0.046 Uiso 1 1 calc R
H11K H 0.1437 0.6106 0.3130 0.046 Uiso 1 1 calc R
H11L H 0.1115 0.5556 0.2484 0.046 Uiso 1 1 calc R
C98 C -0.2426(2) 0.1583(2) 0.0665(2) 0.0263(9) Uani 1 1 d .
C8 C 0.7941(2) -0.3549(2) 0.38478(18) 0.0221(8) Uani 1 1 d .
H8 H 0.8021 -0.3467 0.4292 0.027 Uiso 1 1 calc R
C72 C 0.1410(3) -0.0978(3) 0.0731(2) 0.0318(10) Uani 1 1 d .
C32 C 0.7566(2) -0.0141(2) 0.4365(2) 0.0269(9) Uani 1 1 d .
C99 C -0.1287(3) 0.2124(3) 0.3467(2) 0.0374(11) Uani 1 1 d .
C53 C 0.6034(3) 0.1433(2) 0.3161(2) 0.0366(11) Uani 1 1 d .
H53A H 0.5656 0.1505 0.3309 0.055 Uiso 1 1 calc R
H53B H 0.6333 0.1880 0.3017 0.055 Uiso 1 1 calc R
H53C H 0.6375 0.1315 0.3514 0.055 Uiso 1 1 calc R
C30 C 0.9842(3) -0.0924(3) 0.5547(2) 0.0341(11) Uani 1 1 d .
H30 H 1.0143 -0.1171 0.5521 0.041 Uiso 1 1 calc R
C75 C 0.0467(2) 0.0788(2) 0.1614(2) 0.0242(9) Uani 1 1 d .
C6 C 0.9390(2) -0.2851(2) 0.41338(19) 0.0242(9) Uani 1 1 d .
F11 F 0.6345(2) -0.49294(17) 0.3788(2) 0.0917(16) Uani 1 1 d .
C74 C 0.0189(3) 0.0727(3) 0.0870(2) 0.0411(13) Uani 1 1 d .
H74A H -0.0323 0.0325 0.0695 0.062 Uiso 1 1 calc R
H74B H 0.0542 0.0633 0.0703 0.062 Uiso 1 1 calc R
H74C H 0.0172 0.1183 0.0745 0.062 Uiso 1 1 calc R
C54 C 0.6202(3) 0.0680(3) 0.2339(3) 0.0386(12) Uani 1 1 d .
H54A H 0.6608 0.0653 0.2698 0.058 Uiso 1 1 calc R
H54B H 0.6424 0.1089 0.2117 0.058 Uiso 1 1 calc R
H54C H 0.5943 0.0225 0.2040 0.058 Uiso 1 1 calc R
C93 C 0.2122(3) 0.5269(2) 0.1806(2) 0.0283(10) Uani 1 1 d .
F26 F 0.30974(18) -0.3214(2) 0.35473(15) 0.0880(14) Uani 1 1 d .
C1 C 0.7697(3) -0.5833(2) 0.3401(2) 0.0279(9) Uani 1 1 d .
C73 C 0.0470(3) 0.0067(2) 0.1826(3) 0.0457(14) Uani 1 1 d .
H73A H 0.0753 0.0148 0.2284 0.069 Uiso 1 1 calc R
H73B H 0.0715 -0.0106 0.1585 0.069 Uiso 1 1 calc R
H73C H -0.0056 -0.0298 0.1744 0.069 Uiso 1 1 calc R
C19 C 0.5774(2) -0.2884(2) 0.08115(19) 0.0249(9) Uani 1 1 d .
H19A H 0.5863 -0.2430 0.1045 0.037 Uiso 1 1 calc R
H19B H 0.5330 -0.3023 0.0423 0.037 Uiso 1 1 calc R
H19C H 0.6224 -0.2814 0.0695 0.037 Uiso 1 1 calc R
C91 C 0.1247(2) 0.4117(2) 0.09996(19) 0.0253(9) Uani 1 1 d .
H91 H 0.1524 0.4342 0.0721 0.030 Uiso 1 1 calc R
C66 C 0.2989(2) 0.2157(2) 0.35229(18) 0.0208(8) Uani 1 1 d .
C13 C 0.8003(2) -0.3023(2) 0.06735(19) 0.0226(8) Uani 1 1 d .
H13 H 0.8052 -0.2765 0.0320 0.027 Uiso 1 1 calc R
C62 C 0.1475(3) -0.0610(3) 0.3513(2) 0.0337(11) Uani 1 1 d .
C39 C 0.3637(2) -0.2470(2) 0.2624(2) 0.0255(9) Uani 1 1 d .
H39 H 0.3113 -0.2785 0.2540 0.031 Uiso 1 1 calc R
C104 C -0.5063(4) 0.1085(3) -0.0529(3) 0.0622(17) Uani 1 1 d .
H10C H -0.4761 0.1278 -0.0797 0.075 Uiso 1 1 calc R
H10D H -0.5465 0.0608 -0.0645 0.075 Uiso 1 1 calc R
C78 C 0.0075(3) 0.0893(2) 0.2629(2) 0.0331(10) Uani 1 1 d .
H78A H 0.0594 0.0967 0.2877 0.050 Uiso 1 1 calc R
H78B H -0.0278 0.0380 0.2590 0.050 Uiso 1 1 calc R
H78C H -0.0078 0.1196 0.2848 0.050 Uiso 1 1 calc R
C94 C -0.1132(3) 0.4192(2) 0.0223(2) 0.0303(10) Uani 1 1 d .
O12 O 0.45639(16) -0.16596(15) 0.21473(13) 0.0246(6) Uani 1 1 d .
N5 N 0.12747(17) 0.13921(17) 0.18419(15) 0.0176(7) Uani 1 1 d .
C44 C 0.2572(3) -0.2068(3) 0.4534(2) 0.0321(10) Uani 1 1 d .
H44A H 0.2808 -0.1571 0.4770 0.039 Uiso 1 1 calc R
H44B H 0.2950 -0.2275 0.4654 0.039 Uiso 1 1 calc R
C43 C 0.1851(3) -0.2551(3) 0.4695(2) 0.0437(13) Uani 1 1 d .
H43 H 0.1425 -0.2437 0.4564 0.052 Uiso 1 1 calc R
C42 C 0.1795(4) -0.3114(3) 0.5005(3) 0.0632(18) Uani 1 1 d .
H42A H 0.2213 -0.3238 0.5141 0.076 Uiso 1 1 calc R
H42B H 0.1337 -0.3394 0.5093 0.076 Uiso 1 1 calc R
C86 C 0.4177(2) 0.5233(2) 0.3370(2) 0.0302(10) Uani 1 1 d .
H86A H 0.3720 0.5323 0.3312 0.036 Uiso 1 1 calc R
H86B H 0.4606 0.5702 0.3378 0.036 Uiso 1 1 calc R
C87 C 0.4370(3) 0.4952(3) 0.4002(2) 0.0376(11) Uani 1 1 d .
H87 H 0.4736 0.4759 0.4082 0.045 Uiso 1 1 calc R
C88 C 0.4060(3) 0.4957(3) 0.4452(2) 0.0538(15) Uani 1 1 d .
H88A H 0.3691 0.5146 0.4387 0.065 Uiso 1 1 calc R
H88B H 0.4207 0.4772 0.4838 0.065 Uiso 1 1 calc R
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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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_3
O27 Yb3 O30 145.34(9) .
O27 Yb3 O29 144.28(9) .
O30 Yb3 O29 70.08(9) .
O27 Yb3 O24 101.61(9) .
O30 Yb3 O24 88.23(9) .
O29 Yb3 O24 78.20(9) .
O27 Yb3 O26 74.27(9) .
O30 Yb3 O26 76.90(9) .
O29 Yb3 O26 136.87(9) .
O24 Yb3 O26 73.74(9) .
O27 Yb3 O31 79.46(9) .
O30 Yb3 O31 74.31(9) .
O29 Yb3 O31 120.63(9) .
O24 Yb3 O31 145.81(9) .
O26 Yb3 O31 73.76(10) .
O27 Yb3 O28 72.51(9) .
O30 Yb3 O28 141.72(9) .
O29 Yb3 O28 73.30(9) .
O24 Yb3 O28 73.62(9) .
O26 Yb3 O28 126.70(9) .
O31 Yb3 O28 136.51(9) .
O27 Yb3 O32 85.08(9) .
O30 Yb3 O32 108.53(9) .
O29 Yb3 O32 74.32(9) .
O24 Yb3 O32 140.02(9) .
O26 Yb3 O32 144.36(9) .
O31 Yb3 O32 74.11(9) .
O28 Yb3 O32 71.02(9) .
O22 Yb2 O18 138.01(9) .
O22 Yb2 O19 150.03(9) .
O18 Yb2 O19 71.55(9) .
O22 Yb2 O15 93.56(10) .
O18 Yb2 O15 102.30(9) .
O19 Yb2 O15 70.44(9) .
O22 Yb2 O17 72.66(10) .
O18 Yb2 O17 74.63(10) .
O19 Yb2 O17 123.56(10) .
O15 Yb2 O17 74.43(9) .
O22 Yb2 O20 76.13(10) .
O18 Yb2 O20 145.44(10) .
O19 Yb2 O20 75.30(9) .
O15 Yb2 O20 75.03(9) .
O17 Yb2 O20 134.24(10) .
O22 Yb2 O21 75.07(9) .
O18 Yb2 O21 72.93(9) .
O19 Yb2 O21 129.91(9) .
O15 Yb2 O21 152.16(10) .
O17 Yb2 O21 77.91(9) .
O20 Yb2 O21 124.62(9) .
O22 Yb2 O23 101.10(10) .
O18 Yb2 O23 94.18(9) .
O19 Yb2 O23 76.53(9) .
O15 Yb2 O23 135.67(9) .
O17 Yb2 O23 149.90(9) .
O20 Yb2 O23 68.50(9) .
O21 Yb2 O23 72.07(9) .
O2 Yb1 O5 141.61(9) .
O2 Yb1 O3 143.64(9) .
O5 Yb1 O3 74.27(9) .
O2 Yb1 O7 89.60(9) .
O5 Yb1 O7 104.84(9) .
O3 Yb1 O7 70.02(9) .
O2 Yb1 O4 71.18(9) .
O5 Yb1 O4 146.13(9) .
O3 Yb1 O4 75.09(9) .
O7 Yb1 O4 77.58(9) .
O2 Yb1 O6 75.17(9) .
O5 Yb1 O6 74.98(9) .
O3 Yb1 O6 123.95(9) .
O7 Yb1 O6 74.23(9) .
O4 Yb1 O6 135.73(9) .
O2 Yb1 O1 74.48(9) .
O5 Yb1 O1 74.85(9) .
O3 Yb1 O1 136.79(9) .
O7 Yb1 O1 147.97(9) .
O4 Yb1 O1 120.90(9) .
O6 Yb1 O1 74.89(9) .
O2 Yb1 O33 105.88(9) 1_645
O5 Yb1 O33 87.38(9) 1_645
O3 Yb1 O33 74.71(9) 1_645
O7 Yb1 O33 137.43(9) 1_645
O4 Yb1 O33 70.85(9) 1_645
O6 Yb1 O33 147.65(9) 1_645
O1 Yb1 O33 74.41(9) 1_645
O13 Cu1 O10 87.16(11) .
O13 Cu1 O12 93.43(12) .
O10 Cu1 O12 163.96(12) .
O13 Cu1 O11 166.45(12) .
O10 Cu1 O11 92.97(11) .
O12 Cu1 O11 90.17(11) .
O13 Cu1 O8 80.69(10) .
O10 Cu1 O8 105.84(10) .
O12 Cu1 O8 90.05(11) .
O11 Cu1 O8 86.25(10) .
O13 Cu1 O14 96.05(10) .
O10 Cu1 O14 75.38(10) .
O12 Cu1 O14 88.63(11) .
O11 Cu1 O14 97.10(10) .
O8 Cu1 O14 176.41(9) .
C102 O28 Yb3 134.7(3) .
C35 O11 Cu1 123.7(2) .
C38 O13 Cu1 124.0(3) .
C14 O4 Yb1 132.7(2) .
C33 O10 Cu1 123.1(2) .
C7 O5 Yb1 134.3(2) .
C12 O3 Yb1 133.2(2) .
O32 N7 C113 125.7(3) .
O32 N7 C119 121.4(3) .
C113 N7 C119 112.0(3) .
C71 O19 Yb2 134.4(3) .
C66 O21 Yb2 131.6(2) .
O7 N1 C22 125.2(3) .
O7 N1 C18 120.4(3) .
C22 N1 C18 113.4(3) .
N2 O8 Cu1 132.5(2) .
C90 O26 Yb3 132.3(2) .
C45 O16 C44 116.7(3) .
C4 O2 Yb1 135.0(3) .
C107 O34 C106 117.3(3) .
C97 O30 Yb3 135.6(3) .
N1 O7 Yb1 138.6(2) .
O24 N6 C79 125.3(3) .
O24 N6 C77 119.6(3) .
C79 N6 C77 113.9(3) .
N6 C79 N5 106.4(3) .
N6 C79 C80 127.3(3) .
N5 C79 C80 126.2(3) .
C92 O27 Yb3 134.7(2) .
C2 O1 Yb1 132.1(2) .
N7 O32 Yb3 139.5(2) .
C26 O9 C29 118.0(3) .
C64 O22 Yb2 131.5(2) .
N5 O23 Yb2 139.3(2) .
C83 O25 C86 117.6(3) .
O33 N8 C113 125.4(3) .
O33 N8 C114 121.5(3) .
C113 N8 C114 112.4(3) .
O15 N4 C51 126.5(3) .
O15 N4 C56 120.6(3) .
C51 N4 C56 111.8(3) .
O8 N2 C22 125.3(3) .
O8 N2 C20 121.2(3) .
C22 N2 C20 112.6(3) .
N6 O24 Yb3 147.8(2) .
C100 O29 Yb3 135.5(3) .
C95 O31 Yb3 133.0(3) .
N4 O15 Yb2 142.3(2) .
N8 O33 Yb1 137.8(2) 1_465
C61 O18 Yb2 133.8(3) .
C84 C85 C80 120.7(4) .
C84 C85 H85 119.6 .
C80 C85 H85 119.6 .
O14 N3 C51 125.9(3) .
O14 N3 C52 121.7(3) .
C51 N3 C52 112.0(3) .
C28 C23 C24 118.2(3) .
C28 C23 C22 121.6(3) .
C24 C23 C22 120.2(3) .
C46 C47 C48 121.1(4) .
C46 C47 H47 119.4 .
C48 C47 H47 119.4 .
C59 O17 Yb2 133.1(3) .
C108 C109 C110 120.6(4) .
C108 C109 H109 119.7 .
C110 C109 H109 119.7 .
N1 C18 C16 111.0(3) .
N1 C18 C19 105.9(3) .
C16 C18 C19 110.4(3) .
N1 C18 C20 100.0(3) .
C16 C18 C20 115.0(3) .
C19 C18 C20 113.7(3) .
C69 O20 Yb2 132.7(3) .
N3 O14 Cu1 129.1(2) .
O11 C35 C34 128.7(4) .
O11 C35 C36 112.9(3) .
C34 C35 C36 118.4(4) .
C111 C110 C109 118.9(4) .
C111 C110 C113 120.2(4) .
C109 C110 C113 120.9(4) .
O10 C33 C34 128.5(4) .
O10 C33 C32 113.1(3) .
C34 C33 C32 118.3(3) .
N2 C20 C21 109.6(3) .
N2 C20 C17 106.7(3) .
C21 C20 C17 110.8(3) .
N2 C20 C18 99.7(3) .
C21 C20 C18 115.4(3) .
C17 C20 C18 113.7(3) .
C81 C82 C83 119.7(4) .
C81 C82 H82 120.2 .
C83 C82 H82 120.2 .
F18 C11 F17 106.9(3) .
F18 C11 F16 107.9(4) .
F17 C11 F16 106.0(4) .
F18 C11 C12 111.6(4) .
F17 C11 C12 114.1(3) .
F16 C11 C12 110.1(3) .
O3 C12 C13 128.1(3) .
O3 C12 C11 113.0(3) .
C13 C12 C11 118.9(3) .
C24 C25 C26 120.0(3) .
C24 C25 H25 120.0 .
C26 C25 H25 120.0 .
O5 C7 C8 127.6(4) .
O5 C7 C6 114.6(3) .
C8 C7 C6 117.7(3) .
O4 C14 C13 128.8(4) .
O4 C14 C15 113.3(3) .
C13 C14 C15 117.9(3) .
C20 C21 H21A 109.5 .
C20 C21 H21B 109.5 .
H21A C21 H21B 109.5 .
C20 C21 H21C 109.5 .
H21A C21 H21C 109.5 .
H21B C21 H21C 109.5 .
O34 C106 C105 109.5(4) .
O34 C106 H10A 109.8 .
C105 C106 H10A 109.8 .
O34 C106 H10B 109.8 .
C105 C106 H10B 109.8 .
H10A C106 H10B 108.2 .
C77 C76 H76A 109.5 .
C77 C76 H76B 109.5 .
H76A C76 H76B 109.5 .
C77 C76 H76C 109.5 .
H76A C76 H76C 109.5 .
H76B C76 H76C 109.5 .
N8 C113 N7 106.7(3) .
N8 C113 C110 127.3(4) .
N7 C113 C110 126.0(3) .
O28 C102 C101 127.8(4) .
O28 C102 C103 115.4(4) .
C101 C102 C103 116.7(4) .
N1 C22 N2 106.4(3) .
N1 C22 C23 126.5(3) .
N2 C22 C23 127.0(3) .
O30 C97 C96 127.2(4) .
O30 C97 C98 114.9(4) .
C96 C97 C98 117.9(4) .
C49 C50 C45 119.7(4) .
C49 C50 H50 120.2 .
C45 C50 H50 120.2 .
O25 C83 C82 124.5(4) .
O25 C83 C84 115.5(3) .
C82 C83 C84 120.0(4) .
O31 C95 C96 128.7(4) .
O31 C95 C94 114.6(4) .
C96 C95 C94 116.6(4) .
O26 C90 C91 128.5(4) .
O26 C90 C89 113.6(4) .
C91 C90 C89 117.9(4) .
C82 C81 C80 121.1(4) .
C82 C81 H81 119.4 .
C80 C81 H81 119.4 .
O18 C61 C60 128.2(4) .
O18 C61 C62 113.4(4) .
C60 C61 C62 118.3(4) .
C35 C34 C33 121.0(4) .
C35 C34 H34 119.5 .
C33 C34 H34 119.5 .
O1 C2 C3 128.0(4) .
O1 C2 C1 114.2(3) .
C3 C2 C1 117.7(4) .
O16 C45 C46 124.1(4) .
O16 C45 C50 115.4(4) .
C46 C45 C50 120.5(4) .
C26 C27 C28 119.4(3) .
C26 C27 H27 120.3 .
C28 C27 H27 120.3 .
F25 C37 F27 107.6(4) .
F25 C37 F26 108.7(4) .
F27 C37 F26 106.3(4) .
F25 C37 C38 109.8(3) .
F27 C37 C38 111.9(3) .
F26 C37 C38 112.3(4) .
C25 C24 C23 121.1(3) .
C25 C24 H24 119.4 .
C23 C24 H24 119.4 .
F23 C36 F22 107.9(4) .
F23 C36 F24 108.0(4) .
F22 C36 F24 105.7(3) .
F23 C36 C35 111.4(3) .
F22 C36 C35 110.9(3) .
F24 C36 C35 112.5(3) .
C9 O6 Yb1 132.3(2) .
O13 C38 C39 128.8(4) .
O13 C38 C37 113.0(4) .
C39 C38 C37 118.3(4) .
O27 C92 C91 127.5(4) .
O27 C92 C93 115.0(3) .
C91 C92 C93 117.4(3) .
C27 C28 C23 121.3(3) .
C27 C28 H28 119.4 .
C23 C28 H28 119.4 .
O2 C4 C3 128.0(4) .
O2 C4 C5 113.5(3) .
C3 C4 C5 118.5(3) .
C4 C3 C2 120.4(3) .
C4 C3 H3 119.8 .
C2 C3 H3 119.8 .
F11 C10 F12 109.6(4) .
F11 C10 F10 106.8(4) .
F12 C10 F10 105.0(4) .
F11 C10 C9 110.6(4) .
F12 C10 C9 111.4(4) .
F10 C10 C9 113.2(4) .
O12 C40 C39 127.8(4) .
O12 C40 C41 112.5(4) .
C39 C40 C41 119.8(4) .
C47 C48 C49 118.9(4) .
C47 C48 C51 119.9(4) .
C49 C48 C51 121.2(4) .
C111 C112 C107 120.9(4) .
C111 C112 H112 119.6 .
C107 C112 H112 119.6 .
C50 C49 C48 120.4(4) .
C50 C49 H49 119.8 .
C48 C49 H49 119.8 .
F48 C67 F46 107.5(4) .
F48 C67 F47 106.9(3) .
F46 C67 F47 106.8(4) .
F48 C67 C66 113.7(3) .
F46 C67 C66 109.3(3) .
F47 C67 C66 112.3(3) .
O6 C9 C8 128.1(3) .
O6 C9 C10 113.7(3) .
C8 C9 C10 118.1(3) .
N6 C77 C76 110.1(3) .
N6 C77 C78 105.7(3) .
C76 C77 C78 111.3(3) .
N6 C77 C75 99.7(3) .
C76 C77 C75 114.8(3) .
C78 C77 C75 114.2(3) .
O29 C100 C101 127.7(4) .
O29 C100 C99 113.2(4) .
C101 C100 C99 119.0(4) .
C109 C108 C107 120.2(4) .
C109 C108 H108 119.9 .
C107 C108 H108 119.9 .
F29 C41 F28 107.5(3) .
F29 C41 F30 107.5(4) .
F28 C41 F30 107.4(3) .
F29 C41 C40 110.6(3) .
F28 C41 C40 112.8(4) .
F30 C41 C40 110.9(3) .
C114 C116 H11A 109.5 .
C114 C116 H11B 109.5 .
H11A C116 H11B 109.5 .
C114 C116 H11C 109.5 .
H11A C116 H11C 109.5 .
H11B C116 H11C 109.5 .
O17 C59 C60 127.5(4) .
O17 C59 C58 114.7(4) .
C60 C59 C58 117.7(4) .
O34 C107 C112 115.8(4) .
O34 C107 C108 125.2(4) .
C112 C107 C108 119.0(4) .
O22 C64 C65 128.2(4) .
O22 C64 C63 114.2(3) .
C65 C64 C63 117.6(4) .
C100 C101 C102 120.2(4) .
C100 C101 H101 119.9 .
C102 C101 H101 119.9 .
C114 C115 H11D 109.5 .
C114 C115 H11E 109.5 .
H11D C115 H11E 109.5 .
C114 C115 H11F 109.5 .
H11D C115 H11F 109.5 .
H11E C115 H11F 109.5 .
F58 C89 F60 108.4(4) .
F58 C89 F59 107.6(4) .
F60 C89 F59 106.4(3) .
F58 C89 C90 110.8(3) .
F60 C89 C90 110.4(4) .
F59 C89 C90 112.9(3) .
N4 C51 N3 107.8(3) .
N4 C51 C48 126.4(3) .
N3 C51 C48 125.8(3) .
C56 C57 H57A 109.5 .
C56 C57 H57B 109.5 .
H57A C57 H57B 109.5 .
C56 C57 H57C 109.5 .
H57A C57 H57C 109.5 .
H57B C57 H57C 109.5 .
C47 C46 C45 119.4(4) .
C47 C46 H46 120.3 .
C45 C46 H46 120.3 .
C95 C96 C97 120.3(4) .
C95 C96 H96 119.9 .
C97 C96 H96 119.9 .
C18 C16 H16A 109.5 .
C18 C16 H16B 109.5 .
H16A C16 H16B 109.5 .
C18 C16 H16C 109.5 .
H16A C16 H16C 109.5 .
H16B C16 H16C 109.5 .
O19 C71 C70 127.5(4) .
O19 C71 C72 112.4(4) .
C70 C71 C72 120.1(4) .
C119 C118 H11G 109.5 .
C119 C118 H11H 109.5 .
H11G C118 H11H 109.5 .
C119 C118 H11I 109.5 .
H11G C118 H11I 109.5 .
H11H C118 H11I 109.5 .
C85 C80 C81 118.4(3) .
C85 C80 C79 122.2(3) .
C81 C80 C79 119.3(3) .
F50 C103 F51 107.2(4) .
F50 C103 F49 106.2(4) .
F51 C103 F49 107.8(4) .
F50 C103 C102 113.3(4) .
F51 C103 C102 111.6(4) .
F49 C103 C102 110.3(4) .
O9 C29 C30 107.0(3) .
O9 C29 H29A 110.3 .
C30 C29 H29A 110.3 .
O9 C29 H29B 110.3 .
C30 C29 H29B 110.3 .
H29A C29 H29B 108.6 .
N4 C56 C57 110.2(3) .
N4 C56 C55 105.2(3) .
C57 C56 C55 110.9(4) .
N4 C56 C52 100.3(3) .
C57 C56 C52 115.0(4) .
C55 C56 C52 114.2(3) .
C66 C65 C64 121.2(4) .
C66 C65 H65 119.4 .
C64 C65 H65 119.4 .
C61 C60 C59 120.9(4) .
C61 C60 H60 119.5 .
C59 C60 H60 119.5 .
N7 C119 C117 111.2(3) .
N7 C119 C118 106.1(3) .
C117 C119 C118 110.9(3) .
N7 C119 C114 99.2(3) .
C117 C119 C114 114.6(3) .
C118 C119 C114 113.8(3) .
F42 C68 F40 107.4(5) .
F42 C68 F41 107.5(4) .
F40 C68 F41 104.6(5) .
F42 C68 C69 114.8(5) .
F40 C68 C69 111.2(4) .
F41 C68 C69 110.8(4) .
F6 C5 F4 107.3(3) .
F6 C5 F5 107.0(3) .
F4 C5 F5 107.1(4) .
F6 C5 C4 113.5(4) .
F4 C5 C4 110.7(3) .
F5 C5 C4 110.9(3) .
C71 C70 C69 121.3(4) .
C71 C70 H70 119.3 .
C69 C70 H70 119.3 .
O9 C26 C27 125.1(3) .
O9 C26 C25 115.0(3) .
C27 C26 C25 119.9(4) .
N3 C52 C54 109.9(3) .
N3 C52 C53 106.7(3) .
C54 C52 C53 110.6(4) .
N3 C52 C56 99.6(3) .
C54 C52 C56 115.0(4) .
C53 C52 C56 114.1(4) .
F32 C58 F31 107.6(4) .
F32 C58 F33 107.8(5) .
F31 C58 F33 106.1(4) .
F32 C58 C59 109.5(4) .
F31 C58 C59 114.0(4) .
F33 C58 C59 111.6(4) .
F43 C63 F45 107.3(4) .
F43 C63 F44 107.3(4) .
F45 C63 F44 107.5(4) .
F43 C63 C64 110.6(4) .
F45 C63 C64 110.7(4) .
F44 C63 C64 113.1(3) .
C112 C111 C110 120.3(4) .
C112 C111 H111 119.9 .
C110 C111 H111 119.9 .
C30 C31 H31A 120.0 .
C30 C31 H31B 120.0 .
H31A C31 H31B 120.0 .
C20 C17 H17A 109.5 .
C20 C17 H17B 109.5 .
H17A C17 H17B 109.5 .
C20 C17 H17C 109.5 .
H17A C17 H17C 109.5 .
H17B C17 H17C 109.5 .
N8 C114 C116 106.9(3) .
N8 C114 C115 111.0(3) .
C116 C114 C115 111.4(3) .
N8 C114 C119 98.7(3) .
C116 C114 C119 113.7(3) .
C115 C114 C119 114.2(3) .
O20 C69 C70 128.6(4) .
O20 C69 C68 113.4(4) .
C70 C69 C68 118.1(4) .
C104 C105 C106 125.6(5) .
C104 C105 H105 117.2 .
C106 C105 H105 117.2 .
F13 C15 F14 108.1(4) .
F13 C15 F15 106.8(4) .
F14 C15 F15 106.7(4) .
F13 C15 C14 111.2(4) .
F14 C15 C14 110.5(3) .
F15 C15 C14 113.3(4) .
C56 C55 H55A 109.5 .
C56 C55 H55B 109.5 .
H55A C55 H55B 109.5 .
C56 C55 H55C 109.5 .
H55A C55 H55C 109.5 .
H55B C55 H55C 109.5 .
C85 C84 C83 120.1(4) .
C85 C84 H84 120.0 .
C83 C84 H84 120.0 .
C119 C117 H11J 109.5 .
C119 C117 H11K 109.5 .
H11J C117 H11K 109.5 .
C119 C117 H11L 109.5 .
H11J C117 H11L 109.5 .
H11K C117 H11L 109.5 .
F63 C98 F61 109.1(4) .
F63 C98 F62 106.7(3) .
F61 C98 F62 105.9(4) .
F63 C98 C97 113.8(4) .
F61 C98 C97 111.1(3) .
F62 C98 C97 109.8(3) .
C9 C8 C7 121.3(3) .
C9 C8 H8 119.3 .
C7 C8 H8 119.3 .
F37 C72 F38 108.1(5) .
F37 C72 F39 106.6(4) .
F38 C72 F39 105.4(4) .
F37 C72 C71 111.0(4) .
F38 C72 C71 111.5(4) .
F39 C72 C71 113.9(4) .
F19 C32 F20 107.1(4) .
F19 C32 F21 108.1(4) .
F20 C32 F21 106.8(3) .
F19 C32 C33 113.3(3) .
F20 C32 C33 111.8(3) .
F21 C32 C33 109.4(4) .
F54 C99 F53 106.4(4) .
F54 C99 F52 107.2(4) .
F53 C99 F52 107.4(4) .
F54 C99 C100 111.1(4) .
F53 C99 C100 110.8(4) .
F52 C99 C100 113.5(4) .
C52 C53 H53A 109.5 .
C52 C53 H53B 109.5 .
H53A C53 H53B 109.5 .
C52 C53 H53C 109.5 .
H53A C53 H53C 109.5 .
H53B C53 H53C 109.5 .
C31 C30 C29 124.4(5) .
C31 C30 H30 117.8 .
C29 C30 H30 117.8 .
N5 C75 C73 109.9(3) .
N5 C75 C74 106.0(3) .
C73 C75 C74 110.7(4) .
N5 C75 C77 100.9(3) .
C73 C75 C77 114.1(4) .
C74 C75 C77 114.4(4) .
F9 C6 F8 107.6(3) .
F9 C6 F7 107.3(3) .
F8 C6 F7 106.4(3) .
F9 C6 C7 112.2(3) .
F8 C6 C7 113.4(3) .
F7 C6 C7 109.6(3) .
C75 C74 H74A 109.5 .
C75 C74 H74B 109.5 .
H74A C74 H74B 109.5 .
C75 C74 H74C 109.5 .
H74A C74 H74C 109.5 .
H74B C74 H74C 109.5 .
C52 C54 H54A 109.5 .
C52 C54 H54B 109.5 .
H54A C54 H54B 109.5 .
C52 C54 H54C 109.5 .
H54A C54 H54C 109.5 .
H54B C54 H54C 109.5 .
F55 C93 F56 106.8(3) .
F55 C93 F57 107.5(4) .
F56 C93 F57 106.4(4) .
F55 C93 C92 112.0(3) .
F56 C93 C92 110.7(4) .
F57 C93 C92 113.1(3) .
F2 C1 F1 107.1(4) .
F2 C1 F3 107.9(4) .
F1 C1 F3 105.6(3) .
F2 C1 C2 110.4(3) .
F1 C1 C2 112.1(3) .
F3 C1 C2 113.4(4) .
C75 C73 H73A 109.5 .
C75 C73 H73B 109.5 .
H73A C73 H73B 109.5 .
C75 C73 H73C 109.5 .
H73A C73 H73C 109.5 .
H73B C73 H73C 109.5 .
C18 C19 H19A 109.5 .
C18 C19 H19B 109.5 .
H19A C19 H19B 109.5 .
C18 C19 H19C 109.5 .
H19A C19 H19C 109.5 .
H19B C19 H19C 109.5 .
C92 C91 C90 120.0(4) .
C92 C91 H91 120.0 .
C90 C91 H91 120.0 .
O21 C66 C65 127.5(3) .
O21 C66 C67 113.8(3) .
C65 C66 C67 118.6(3) .
C14 C13 C12 120.7(4) .
C14 C13 H13 119.6 .
C12 C13 H13 119.6 .
F36 C62 F34 107.8(4) .
F36 C62 F35 106.9(4) .
F34 C62 F35 106.6(4) .
F36 C62 C61 110.4(4) .
F34 C62 C61 111.6(3) .
F35 C62 C61 113.1(4) .
C38 C39 C40 121.5(4) .
C38 C39 H39 119.2 .
C40 C39 H39 119.2 .
C105 C104 H10C 120.0 .
C105 C104 H10D 120.0 .
H10C C104 H10D 120.0 .
C77 C78 H78A 109.5 .
C77 C78 H78B 109.5 .
H78A C78 H78B 109.5 .
C77 C78 H78C 109.5 .
H78A C78 H78C 109.5 .
H78B C78 H78C 109.5 .
F66 C94 F64 107.3(4) .
F66 C94 F65 107.5(4) .
F64 C94 F65 105.7(4) .
F66 C94 C95 110.6(4) .
F64 C94 C95 111.9(3) .
F65 C94 C95 113.6(4) .
C40 O12 Cu1 123.6(3) .
O23 N5 C79 125.6(3) .
O23 N5 C75 120.5(3) .
C79 N5 C75 113.3(3) .
O16 C44 C43 107.0(4) .
O16 C44 H44A 110.3 .
C43 C44 H44A 110.3 .
O16 C44 H44B 110.3 .
C43 C44 H44B 110.3 .
H44A C44 H44B 108.6 .
C42 C43 C44 123.2(5) .
C42 C43 H43 118.4 .
C44 C43 H43 118.4 .
C43 C42 H42A 120.0 .
C43 C42 H42B 120.0 .
H42A C42 H42B 120.0 .
O25 C86 C87 112.0(4) .
O25 C86 H86A 109.2 .
C87 C86 H86A 109.2 .
O25 C86 H86B 109.2 .
C87 C86 H86B 109.2 .
H86A C86 H86B 107.9 .
C88 C87 C86 124.3(5) .
C88 C87 H87 117.8 .
C86 C87 H87 117.8 .
C87 C88 H88A 120.0 .
C87 C88 H88B 120.0 .
H88A C88 H88B 120.0 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Yb3 O27 2.278(3) .
Yb3 O30 2.281(3) .
Yb3 O29 2.298(3) .
Yb3 O24 2.298(3) .
Yb3 O26 2.309(2) .
Yb3 O31 2.316(3) .
Yb3 O28 2.327(3) .
Yb3 O32 2.344(2) .
Yb2 O22 2.275(3) .
Yb2 O18 2.281(3) .
Yb2 O19 2.289(3) .
Yb2 O15 2.306(2) .
Yb2 O17 2.312(3) .
Yb2 O20 2.315(3) .
Yb2 O21 2.317(2) .
Yb2 O23 2.363(3) .
Yb1 O2 2.270(3) .
Yb1 O5 2.278(2) .
Yb1 O3 2.289(2) .
Yb1 O7 2.304(3) .
Yb1 O4 2.305(2) .
Yb1 O6 2.307(2) .
Yb1 O1 2.330(3) .
Yb1 O33 2.346(2) 1_645
Cu1 O13 1.933(3) .
Cu1 O10 1.939(3) .
Cu1 O12 1.941(3) .
Cu1 O11 1.942(3) .
Cu1 O8 2.451(3) .
Cu1 O14 2.493(3) .
O28 C102 1.237(4) .
F8 C6 1.338(4) .
F9 C6 1.326(5) .
O11 C35 1.266(5) .
O13 C38 1.257(5) .
F4 C5 1.331(5) .
O4 C14 1.248(4) .
F1 C1 1.337(5) .
O10 C33 1.260(4) .
F47 C67 1.333(5) .
O5 C7 1.249(4) .
O3 C12 1.256(4) .
F56 C93 1.333(5) .
N7 O32 1.289(4) .
N7 C113 1.357(5) .
N7 C119 1.508(5) .
O19 C71 1.254(4) .
F20 C32 1.327(5) .
F55 C93 1.327(5) .
O21 C66 1.257(4) .
N1 O7 1.307(4) .
N1 C22 1.350(4) .
N1 C18 1.484(4) .
F7 C6 1.348(5) .
F34 C62 1.326(5) .
F62 C98 1.339(5) .
O8 N2 1.285(4) .
F5 C5 1.332(5) .
O26 C90 1.250(5) .
O16 C45 1.367(4) .
O16 C44 1.437(5) .
F27 C37 1.305(5) .
O2 C4 1.254(4) .
O34 C107 1.362(4) .
O34 C106 1.434(5) .
O30 C97 1.250(5) .
F64 C94 1.335(5) .
F61 C98 1.319(5) .
F29 C41 1.322(5) .
N6 O24 1.295(4) .
N6 C79 1.349(4) .
N6 C77 1.499(5) .
F17 C11 1.321(5) .
F59 C89 1.344(5) .
F15 C15 1.330(5) .
C79 N5 1.351(5) .
C79 C80 1.447(5) .
F28 C41 1.334(5) .
O27 C92 1.257(4) .
F48 C67 1.326(5) .
O1 C2 1.257(4) .
O9 C26 1.358(4) .
O9 C29 1.445(4) .
O22 C64 1.256(4) .
O23 N5 1.292(4) .
F3 C1 1.340(5) .
O25 C83 1.364(4) .
O25 C86 1.440(5) .
F18 C11 1.317(5) .
N8 O33 1.287(4) .
N8 C113 1.352(5) .
N8 C114 1.511(5) .
N4 O15 1.291(4) .
N4 C51 1.336(5) .
N4 C56 1.508(5) .
N2 C22 1.361(5) .
N2 C20 1.509(5) .
F65 C94 1.336(5) .
F24 C36 1.331(5) .
O29 C100 1.251(5) .
O31 C95 1.248(5) .
F6 C5 1.331(5) .
O33 Yb1 2.346(2) 1_465
O18 C61 1.253(4) .
F44 C63 1.326(5) .
C85 C84 1.369(5) .
C85 C80 1.401(5) .
C85 H85 0.9300 .
F58 C89 1.320(5) .
F30 C41 1.337(4) .
F45 C63 1.325(5) .
F22 C36 1.323(5) .
F10 C10 1.324(5) .
N3 O14 1.282(4) .
N3 C51 1.356(5) .
N3 C52 1.501(5) .
C23 C28 1.396(5) .
C23 C24 1.406(5) .
C23 C22 1.446(5) .
F23 C36 1.317(5) .
C47 C46 1.385(5) .
C47 C48 1.390(5) .
C47 H47 0.9300 .
F14 C15 1.327(5) .
O17 C59 1.255(5) .
C109 C108 1.381(5) .
C109 C110 1.402(5) .
C109 H109 0.9300 .
C18 C16 1.520(5) .
C18 C19 1.531(5) .
C18 C20 1.558(5) .
O20 C69 1.252(5) .
F16 C11 1.333(5) .
C35 C34 1.377(5) .
C35 C36 1.540(5) .
C110 C111 1.397(5) .
C110 C113 1.460(5) .
F66 C94 1.322(5) .
F50 C103 1.303(5) .
C33 C34 1.384(5) .
C33 C32 1.536(5) .
F2 C1 1.316(5) .
C20 C21 1.515(5) .
C20 C17 1.524(5) .
C82 C81 1.373(5) .
C82 C83 1.390(5) .
C82 H82 0.9300 .
C11 C12 1.529(5) .
C12 C13 1.389(5) .
F31 C58 1.321(5) .
C25 C24 1.367(5) .
C25 C26 1.407(5) .
C25 H25 0.9300 .
C7 C8 1.392(5) .
C7 C6 1.536(5) .
F46 C67 1.327(5) .
F63 C98 1.310(5) .
C14 C13 1.389(5) .
C14 C15 1.546(5) .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
F39 C72 1.320(5) .
C106 C105 1.476(6) .
C106 H10A 0.9700 .
C106 H10B 0.9700 .
C76 C77 1.518(5) .
C76 H76A 0.9600 .
C76 H76B 0.9600 .
C76 H76C 0.9600 .
F35 C62 1.334(5) .
C102 C101 1.397(6) .
C102 C103 1.548(6) .
F57 C93 1.337(4) .
C97 C96 1.400(5) .
C97 C98 1.550(5) .
C50 C49 1.379(5) .
C50 C45 1.398(5) .
C50 H50 0.9300 .
F43 C63 1.323(5) .
F60 C89 1.334(5) .
C83 C84 1.398(5) .
C95 C96 1.392(5) .
C95 C94 1.530(5) .
C90 C91 1.395(5) .
C90 C89 1.540(5) .
F19 C32 1.316(5) .
C81 C80 1.401(5) .
C81 H81 0.9300 .
C61 C60 1.388(6) .
C61 C62 1.541(6) .
C34 H34 0.9300 .
F21 C32 1.332(5) .
C2 C3 1.402(5) .
C2 C1 1.531(5) .
F54 C99 1.321(6) .
F13 C15 1.315(5) .
C45 C46 1.390(6) .
C27 C26 1.388(5) .
C27 C28 1.392(5) .
C27 H27 0.9300 .
C37 F25 1.289(5) .
C37 F26 1.317(5) .
C37 C38 1.548(5) .
C24 H24 0.9300 .
O6 C9 1.263(4) .
F52 C99 1.326(5) .
C38 C39 1.377(6) .
C92 C91 1.392(5) .
C92 C93 1.535(5) .
C28 H28 0.9300 .
C4 C3 1.391(5) .
C4 C5 1.532(5) .
C3 H3 0.9300 .
F40 C68 1.319(6) .
C10 F11 1.291(5) .
C10 F12 1.314(5) .
C10 C9 1.539(5) .
C40 O12 1.282(4) .
C40 C39 1.393(6) .
C40 C41 1.528(6) .
C48 C49 1.409(5) .
C48 C51 1.460(5) .
F38 C72 1.300(5) .
F53 C99 1.322(6) .
C112 C111 1.379(5) .
C112 C107 1.395(5) .
C112 H112 0.9300 .
C49 H49 0.9300 .
C67 C66 1.528(5) .
C9 C8 1.381(5) .
C77 C78 1.520(5) .
C77 C75 1.551(5) .
F36 C62 1.315(5) .
C100 C101 1.391(6) .
C100 C99 1.535(6) .
C108 C107 1.399(5) .
C108 H108 0.9300 .
C116 C114 1.517(5) .
C116 H11A 0.9600 .
C116 H11B 0.9600 .
C116 H11C 0.9600 .
F41 C68 1.326(6) .
C59 C60 1.395(6) .
C59 C58 1.531(6) .
F37 C72 1.299(5) .
F32 C58 1.318(5) .
C64 C65 1.394(5) .
C64 C63 1.541(5) .
C101 H101 0.9300 .
C115 C114 1.522(5) .
C115 H11D 0.9600 .
C115 H11E 0.9600 .
C115 H11F 0.9600 .
C57 C56 1.521(5) .
C57 H57A 0.9600 .
C57 H57B 0.9600 .
C57 H57C 0.9600 .
C46 H46 0.9300 .
C96 H96 0.9300 .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C71 C70 1.393(6) .
C71 C72 1.528(6) .
C118 C119 1.525(5) .
C118 H11G 0.9600 .
C118 H11H 0.9600 .
C118 H11I 0.9600 .
F51 C103 1.315(6) .
C103 F49 1.317(6) .
C29 C30 1.487(6) .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C56 C55 1.529(6) .
C56 C52 1.543(6) .
C65 C66 1.391(5) .
C65 H65 0.9300 .
C60 H60 0.9300 .
C119 C117 1.514(5) .
C119 C114 1.557(5) .
C68 F42 1.299(6) .
C68 C69 1.531(6) .
F33 C58 1.327(5) .
C70 C69 1.398(6) .
C70 H70 0.9300 .
C52 C54 1.523(5) .
C52 C53 1.532(6) .
C111 H111 0.9300 .
C31 C30 1.285(6) .
C31 H31A 0.9300 .
C31 H31B 0.9300 .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C105 C104 1.284(6) .
C105 H105 0.9300 .
C55 H55A 0.9600 .
C55 H55B 0.9600 .
C55 H55C 0.9600 .
C84 H84 0.9300 .
C117 H11J 0.9600 .
C117 H11K 0.9600 .
C117 H11L 0.9600 .
C8 H8 0.9300 .
C53 H53A 0.9600 .
C53 H53B 0.9600 .
C53 H53C 0.9600 .
C30 H30 0.9300 .
C75 N5 1.489(5) .
C75 C73 1.512(6) .
C75 C74 1.528(6) .
C74 H74A 0.9600 .
C74 H74B 0.9600 .
C74 H74C 0.9600 .
C54 H54A 0.9600 .
C54 H54B 0.9600 .
C54 H54C 0.9600 .
C73 H73A 0.9600 .
C73 H73B 0.9600 .
C73 H73C 0.9600 .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C91 H91 0.9300 .
C13 H13 0.9300 .
C39 H39 0.9300 .
C104 H10C 0.9300 .
C104 H10D 0.9300 .
C78 H78A 0.9600 .
C78 H78B 0.9600 .
C78 H78C 0.9600 .
C44 C43 1.509(6) .
C44 H44A 0.9700 .
C44 H44B 0.9700 .
C43 C42 1.292(7) .
C43 H43 0.9300 .
C42 H42A 0.9300 .
C42 H42B 0.9300 .
C86 C87 1.484(6) .
C86 H86A 0.9700 .
C86 H86B 0.9700 .
C87 C88 1.303(6) .
C87 H87 0.9300 .
C88 H88A 0.9300 .
C88 H88B 0.9300 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O27 Yb3 O28 C102 160.0(4) . .
O30 Yb3 O28 C102 -26.9(4) . .
O29 Yb3 O28 C102 -9.5(4) . .
O24 Yb3 O28 C102 -91.8(4) . .
O26 Yb3 O28 C102 -146.2(3) . .
O31 Yb3 O28 C102 107.6(4) . .
O32 Yb3 O28 C102 69.2(4) . .
O13 Cu1 O11 C35 -95.0(6) . .
O10 Cu1 O11 C35 -4.8(3) . .
O12 Cu1 O11 C35 159.4(3) . .
O8 Cu1 O11 C35 -110.5(3) . .
O14 Cu1 O11 C35 70.8(3) . .
O10 Cu1 O13 C38 173.9(3) . .
O12 Cu1 O13 C38 9.9(3) . .
O11 Cu1 O13 C38 -95.2(6) . .
O8 Cu1 O13 C38 -79.6(3) . .
O14 Cu1 O13 C38 98.9(3) . .
O2 Yb1 O4 C14 156.6(3) . .
O5 Yb1 O4 C14 -35.4(4) . .
O3 Yb1 O4 C14 -9.6(3) . .
O7 Yb1 O4 C14 62.8(3) . .
O6 Yb1 O4 C14 114.1(3) . .
O1 Yb1 O4 C14 -145.6(3) . .
O33 Yb1 O4 C14 -88.2(3) 1_645 .
O13 Cu1 O10 C33 -179.6(3) . .
O12 Cu1 O10 C33 -87.1(5) . .
O11 Cu1 O10 C33 14.0(3) . .
O8 Cu1 O10 C33 100.9(3) . .
O14 Cu1 O10 C33 -82.6(3) . .
O2 Yb1 O5 C7 -29.6(4) . .
O3 Yb1 O5 C7 143.0(4) . .
O7 Yb1 O5 C7 79.2(4) . .
O4 Yb1 O5 C7 168.9(3) . .
O6 Yb1 O5 C7 10.4(3) . .
O1 Yb1 O5 C7 -67.6(3) . .
O33 Yb1 O5 C7 -142.2(4) 1_645 .
O2 Yb1 O3 C12 -9.7(4) . .
O5 Yb1 O3 C12 178.0(3) . .
O7 Yb1 O3 C12 -69.3(3) . .
O4 Yb1 O3 C12 12.6(3) . .
O6 Yb1 O3 C12 -122.9(3) . .
O1 Yb1 O3 C12 132.1(3) . .
O33 Yb1 O3 C12 86.4(3) 1_645 .
O22 Yb2 O19 C71 -14.7(5) . .
O18 Yb2 O19 C71 173.3(4) . .
O15 Yb2 O19 C71 -75.8(4) . .
O17 Yb2 O19 C71 -130.5(3) . .
O20 Yb2 O19 C71 3.3(3) . .
O21 Yb2 O19 C71 126.4(3) . .
O23 Yb2 O19 C71 74.2(4) . .
O22 Yb2 O21 C66 -19.9(3) . .
O18 Yb2 O21 C66 132.5(4) . .
O19 Yb2 O21 C66 179.0(3) . .
O15 Yb2 O21 C66 48.5(4) . .
O17 Yb2 O21 C66 55.1(3) . .
O20 Yb2 O21 C66 -80.9(4) . .
O23 Yb2 O21 C66 -127.1(3) . .
O13 Cu1 O8 N2 179.7(3) . .
O10 Cu1 O8 N2 -96.0(3) . .
O12 Cu1 O8 N2 86.2(3) . .
O11 Cu1 O8 N2 -3.9(3) . .
O14 Cu1 O8 N2 154.6(14) . .
O27 Yb3 O26 C90 -17.7(4) . .
O30 Yb3 O26 C90 142.9(4) . .
O29 Yb3 O26 C90 -176.6(3) . .
O24 Yb3 O26 C90 -125.1(4) . .
O31 Yb3 O26 C90 65.7(4) . .
O28 Yb3 O26 C90 -70.8(4) . .
O32 Yb3 O26 C90 39.3(4) . .
O5 Yb1 O2 C4 -27.0(4) . .
O3 Yb1 O2 C4 165.0(3) . .
O7 Yb1 O2 C4 -140.8(3) . .
O4 Yb1 O2 C4 142.2(4) . .
O6 Yb1 O2 C4 -67.0(3) . .
O1 Yb1 O2 C4 11.1(3) . .
O33 Yb1 O2 C4 79.4(3) 1_645 .
O27 Yb3 O30 C97 -36.8(4) . .
O29 Yb3 O30 C97 137.0(4) . .
O24 Yb3 O30 C97 -144.9(3) . .
O26 Yb3 O30 C97 -71.2(3) . .
O31 Yb3 O30 C97 5.4(3) . .
O28 Yb3 O30 C97 154.8(3) . .
O32 Yb3 O30 C97 72.2(3) . .
C22 N1 O7 Yb1 81.5(4) . .
C18 N1 O7 Yb1 -111.0(3) . .
O2 Yb1 O7 N1 54.6(3) . .
O5 Yb1 O7 N1 -89.4(3) . .
O3 Yb1 O7 N1 -156.1(3) . .
O4 Yb1 O7 N1 125.4(3) . .
O6 Yb1 O7 N1 -20.1(3) . .
O1 Yb1 O7 N1 -4.3(4) . .
O33 Yb1 O7 N1 168.0(3) 1_645 .
O24 N6 C79 N5 175.5(3) . .
C77 N6 C79 N5 7.8(4) . .
O24 N6 C79 C80 -2.1(6) . .
C77 N6 C79 C80 -169.8(4) . .
O30 Yb3 O27 C92 -23.0(4) . .
O29 Yb3 O27 C92 166.9(3) . .
O24 Yb3 O27 C92 81.0(4) . .
O26 Yb3 O27 C92 11.8(3) . .
O31 Yb3 O27 C92 -64.1(4) . .
O28 Yb3 O27 C92 149.5(4) . .
O32 Yb3 O27 C92 -138.9(4) . .
O2 Yb1 O1 C2 -15.0(3) . .
O5 Yb1 O1 C2 141.6(3) . .
O3 Yb1 O1 C2 -172.7(3) . .
O7 Yb1 O1 C2 47.7(4) . .
O4 Yb1 O1 C2 -71.2(3) . .
O6 Yb1 O1 C2 63.4(3) . .
O33 Yb1 O1 C2 -126.9(3) 1_645 .
C113 N7 O32 Yb3 81.2(5) . .
C119 N7 O32 Yb3 -111.3(4) . .
O27 Yb3 O32 N7 60.1(3) . .
O30 Yb3 O32 N7 -87.2(4) . .
O29 Yb3 O32 N7 -149.4(4) . .
O24 Yb3 O32 N7 162.3(3) . .
O26 Yb3 O32 N7 6.1(4) . .
O31 Yb3 O32 N7 -20.3(3) . .
O28 Yb3 O32 N7 133.3(4) . .
O18 Yb2 O22 C64 -18.0(4) . .
O19 Yb2 O22 C64 173.4(3) . .
O15 Yb2 O22 C64 -130.8(4) . .
O17 Yb2 O22 C64 -58.4(4) . .
O20 Yb2 O22 C64 155.5(4) . .
O21 Yb2 O22 C64 23.4(3) . .
O23 Yb2 O22 C64 91.2(4) . .
O22 Yb2 O23 N5 -96.2(3) . .
O18 Yb2 O23 N5 44.5(3) . .
O19 Yb2 O23 N5 114.4(3) . .
O15 Yb2 O23 N5 156.9(3) . .
O17 Yb2 O23 N5 -21.7(4) . .
O20 Yb2 O23 N5 -166.3(3) . .
O21 Yb2 O23 N5 -26.1(3) . .
Cu1 O8 N2 C22 76.6(4) . .
Cu1 O8 N2 C20 -114.6(3) . .
C79 N6 O24 Yb3 88.3(5) . .
C77 N6 O24 Yb3 -104.7(4) . .
O27 Yb3 O24 N6 -78.7(4) . .
O30 Yb3 O24 N6 67.8(4) . .
O29 Yb3 O24 N6 137.8(4) . .
O26 Yb3 O24 N6 -9.1(4) . .
O31 Yb3 O24 N6 9.6(5) . .
O28 Yb3 O24 N6 -146.4(4) . .
O32 Yb3 O24 N6 -175.0(4) . .
O27 Yb3 O29 C100 -11.5(4) . .
O30 Yb3 O29 C100 174.4(4) . .
O24 Yb3 O29 C100 82.0(4) . .
O26 Yb3 O29 C100 132.1(4) . .
O31 Yb3 O29 C100 -128.8(4) . .
O28 Yb3 O29 C100 5.8(4) . .
O32 Yb3 O29 C100 -68.6(4) . .
O27 Yb3 O31 C95 146.4(3) . .
O30 Yb3 O31 C95 -10.7(3) . .
O29 Yb3 O31 C95 -65.4(3) . .
O24 Yb3 O31 C95 51.2(4) . .
O26 Yb3 O31 C95 69.9(3) . .
O28 Yb3 O31 C95 -163.4(3) . .
O32 Yb3 O31 C95 -125.7(3) . .
C51 N4 O15 Yb2 84.7(5) . .
C56 N4 O15 Yb2 -108.3(4) . .
O22 Yb2 O15 N4 48.0(4) . .
O18 Yb2 O15 N4 -92.9(4) . .
O19 Yb2 O15 N4 -157.9(4) . .
O17 Yb2 O15 N4 -22.9(4) . .
O20 Yb2 O15 N4 122.6(4) . .
O21 Yb2 O15 N4 -16.2(5) . .
O23 Yb2 O15 N4 157.9(3) . .
C113 N8 O33 Yb1 82.1(5) . 1_465
C114 N8 O33 Yb1 -108.1(4) . 1_465
O22 Yb2 O18 C61 -26.8(4) . .
O19 Yb2 O18 C61 147.2(4) . .
O15 Yb2 O18 C61 82.9(3) . .
O17 Yb2 O18 C61 13.1(3) . .
O20 Yb2 O18 C61 164.3(3) . .
O21 Yb2 O18 C61 -68.7(3) . .
O23 Yb2 O18 C61 -138.5(3) . .
O22 Yb2 O17 C59 139.9(4) . .
O18 Yb2 O17 C59 -13.4(3) . .
O19 Yb2 O17 C59 -68.2(4) . .
O15 Yb2 O17 C59 -121.2(4) . .
O20 Yb2 O17 C59 -171.0(3) . .
O21 Yb2 O17 C59 62.0(3) . .
O23 Yb2 O17 C59 57.7(4) . .
O7 N1 C18 C16 43.6(4) . .
C22 N1 C18 C16 -147.5(3) . .
O7 N1 C18 C19 -76.2(4) . .
C22 N1 C18 C19 92.7(4) . .
O7 N1 C18 C20 165.4(3) . .
C22 N1 C18 C20 -25.7(4) . .
O22 Yb2 O20 C69 171.7(4) . .
O18 Yb2 O20 C69 -15.9(4) . .
O19 Yb2 O20 C69 0.9(4) . .
O15 Yb2 O20 C69 74.1(4) . .
O17 Yb2 O20 C69 123.7(4) . .
O21 Yb2 O20 C69 -127.8(4) . .
O23 Yb2 O20 C69 -80.2(4) . .
C51 N3 O14 Cu1 81.2(4) . .
C52 N3 O14 Cu1 -106.8(4) . .
O13 Cu1 O14 N3 -109.1(3) . .
O10 Cu1 O14 N3 165.4(3) . .
O12 Cu1 O14 N3 -15.8(3) . .
O11 Cu1 O14 N3 74.2(3) . .
O8 Cu1 O14 N3 -84.2(16) . .
Cu1 O11 C35 C34 -3.8(6) . .
Cu1 O11 C35 C36 178.6(3) . .
C108 C109 C110 C111 -2.6(5) . .
C108 C109 C110 C113 177.8(3) . .
Cu1 O10 C33 C34 -16.4(6) . .
Cu1 O10 C33 C32 161.8(3) . .
O8 N2 C20 C21 46.6(4) . .
C22 N2 C20 C21 -143.4(3) . .
O8 N2 C20 C17 -73.4(4) . .
C22 N2 C20 C17 96.6(3) . .
O8 N2 C20 C18 168.1(3) . .
C22 N2 C20 C18 -21.8(4) . .
N1 C18 C20 N2 25.8(3) . .
C16 C18 C20 N2 144.8(3) . .
C19 C18 C20 N2 -86.5(4) . .
N1 C18 C20 C21 143.0(3) . .
C16 C18 C20 C21 -98.0(4) . .
C19 C18 C20 C21 30.7(5) . .
N1 C18 C20 C17 -87.4(4) . .
C16 C18 C20 C17 31.6(5) . .
C19 C18 C20 C17 160.3(3) . .
Yb1 O3 C12 C13 -10.9(6) . .
Yb1 O3 C12 C11 171.3(2) . .
F18 C11 C12 O3 58.1(5) . .
F17 C11 C12 O3 179.3(3) . .
F16 C11 C12 O3 -61.7(5) . .
F18 C11 C12 C13 -120.0(4) . .
F17 C11 C12 C13 1.2(6) . .
F16 C11 C12 C13 120.2(4) . .
Yb1 O5 C7 C8 -6.7(6) . .
Yb1 O5 C7 C6 171.4(2) . .
Yb1 O4 C14 C13 4.6(6) . .
Yb1 O4 C14 C15 -175.0(3) . .
C107 O34 C106 C105 173.2(3) . .
O33 N8 C113 N7 -178.2(3) . .
C114 N8 C113 N7 11.2(4) . .
O33 N8 C113 C110 1.4(6) . .
C114 N8 C113 C110 -169.2(3) . .
O32 N7 C113 N8 -179.5(3) . .
C119 N7 C113 N8 11.9(4) . .
O32 N7 C113 C110 0.9(6) . .
C119 N7 C113 C110 -167.6(3) . .
C111 C110 C113 N8 -149.6(4) . .
C109 C110 C113 N8 30.0(6) . .
C111 C110 C113 N7 29.9(6) . .
C109 C110 C113 N7 -150.5(4) . .
Yb3 O28 C102 C101 8.9(7) . .
Yb3 O28 C102 C103 -173.1(3) . .
O7 N1 C22 N2 -178.9(3) . .
C18 N1 C22 N2 12.8(4) . .
O7 N1 C22 C23 3.5(6) . .
C18 N1 C22 C23 -164.8(3) . .
O8 N2 C22 N1 176.5(3) . .
C20 N2 C22 N1 7.0(4) . .
O8 N2 C22 C23 -5.9(6) . .
C20 N2 C22 C23 -175.4(3) . .
C28 C23 C22 N1 -149.7(4) . .
C24 C23 C22 N1 29.0(6) . .
C28 C23 C22 N2 33.1(6) . .
C24 C23 C22 N2 -148.2(4) . .
Yb3 O30 C97 C96 -0.1(6) . .
Yb3 O30 C97 C98 -179.5(2) . .
C86 O25 C83 C82 3.3(6) . .
C86 O25 C83 C84 -176.1(4) . .
C81 C82 C83 O25 -178.3(4) . .
C81 C82 C83 C84 1.0(6) . .
Yb3 O31 C95 C96 11.5(6) . .
Yb3 O31 C95 C94 -166.6(2) . .
Yb3 O26 C90 C91 17.3(7) . .
Yb3 O26 C90 C89 -163.0(3) . .
C83 C82 C81 C80 0.5(6) . .
Yb2 O18 C61 C60 -10.2(6) . .
Yb2 O18 C61 C62 166.8(3) . .
O11 C35 C34 C33 6.2(7) . .
C36 C35 C34 C33 -176.3(4) . .
O10 C33 C34 C35 5.2(7) . .
C32 C33 C34 C35 -172.9(4) . .
Yb1 O1 C2 C3 14.7(6) . .
Yb1 O1 C2 C1 -163.6(2) . .
C44 O16 C45 C46 12.7(6) . .
C44 O16 C45 C50 -167.1(3) . .
C49 C50 C45 O16 178.0(3) . .
C49 C50 C45 C46 -1.9(6) . .
C26 C25 C24 C23 0.9(6) . .
C28 C23 C24 C25 1.6(6) . .
C22 C23 C24 C25 -177.1(4) . .
O11 C35 C36 F23 67.9(5) . .
C34 C35 C36 F23 -109.9(4) . .
O11 C35 C36 F22 -52.3(5) . .
C34 C35 C36 F22 129.8(4) . .
O11 C35 C36 F24 -170.6(4) . .
C34 C35 C36 F24 11.6(6) . .
O2 Yb1 O6 C9 143.3(3) . .
O5 Yb1 O6 C9 -12.2(3) . .
O3 Yb1 O6 C9 -71.0(3) . .
O7 Yb1 O6 C9 -122.8(3) . .
O4 Yb1 O6 C9 -175.2(3) . .
O1 Yb1 O6 C9 65.8(3) . .
O33 Yb1 O6 C9 47.0(4) 1_645 .
Cu1 O13 C38 C39 -9.5(6) . .
Cu1 O13 C38 C37 169.8(2) . .
F25 C37 C38 O13 -67.9(5) . .
F27 C37 C38 O13 51.5(5) . .
F26 C37 C38 O13 171.0(4) . .
F25 C37 C38 C39 111.5(5) . .
F27 C37 C38 C39 -129.1(4) . .
F26 C37 C38 C39 -9.6(6) . .
Yb3 O27 C92 C91 -4.5(7) . .
Yb3 O27 C92 C93 173.3(3) . .
C26 C27 C28 C23 0.1(6) . .
C24 C23 C28 C27 -2.1(6) . .
C22 C23 C28 C27 176.6(3) . .
Yb1 O2 C4 C3 -5.9(6) . .
Yb1 O2 C4 C5 172.9(2) . .
O2 C4 C3 C2 -2.6(6) . .
C5 C4 C3 C2 178.6(3) . .
O1 C2 C3 C4 -2.2(6) . .
C1 C2 C3 C4 176.1(3) . .
C46 C47 C48 C49 -1.6(6) . .
C46 C47 C48 C51 177.3(3) . .
C45 C50 C49 C48 1.8(6) . .
C47 C48 C49 C50 -0.1(5) . .
C51 C48 C49 C50 -179.0(3) . .
Yb1 O6 C9 C8 10.8(6) . .
Yb1 O6 C9 C10 -168.0(3) . .
F11 C10 C9 O6 82.6(5) . .
F12 C10 C9 O6 -39.6(5) . .
F10 C10 C9 O6 -157.7(4) . .
F11 C10 C9 C8 -96.4(5) . .
F12 C10 C9 C8 141.5(4) . .
F10 C10 C9 C8 23.4(6) . .
O24 N6 C77 C76 50.5(4) . .
C79 N6 C77 C76 -141.1(3) . .
O24 N6 C77 C78 -69.8(4) . .
C79 N6 C77 C78 98.7(4) . .
O24 N6 C77 C75 171.5(3) . .
C79 N6 C77 C75 -20.1(4) . .
Yb3 O29 C100 C101 -1.2(7) . .
Yb3 O29 C100 C99 179.5(3) . .
C110 C109 C108 C107 1.3(5) . .
O12 C40 C41 F29 -52.8(4) . .
C39 C40 C41 F29 128.8(4) . .
O12 C40 C41 F28 -173.2(3) . .
C39 C40 C41 F28 8.4(5) . .
O12 C40 C41 F30 66.3(5) . .
C39 C40 C41 F30 -112.1(4) . .
Yb2 O17 C59 C60 10.9(6) . .
Yb2 O17 C59 C58 -165.7(3) . .
C106 O34 C107 C112 -168.6(3) . .
C106 O34 C107 C108 10.6(5) . .
C111 C112 C107 O34 177.2(3) . .
C111 C112 C107 C108 -2.1(6) . .
C109 C108 C107 O34 -178.2(3) . .
C109 C108 C107 C112 1.0(5) . .
Yb2 O22 C64 C65 -20.6(6) . .
Yb2 O22 C64 C63 159.5(3) . .
O29 C100 C101 C102 -4.2(7) . .
C99 C100 C101 C102 175.0(4) . .
O28 C102 C101 C100 0.3(7) . .
C103 C102 C101 C100 -177.6(4) . .
O26 C90 C89 F58 51.5(5) . .
C91 C90 C89 F58 -128.8(4) . .
O26 C90 C89 F60 -68.7(5) . .
C91 C90 C89 F60 111.1(4) . .
O26 C90 C89 F59 172.3(4) . .
C91 C90 C89 F59 -7.9(6) . .
O15 N4 C51 N3 177.7(3) . .
C56 N4 C51 N3 9.8(4) . .
O15 N4 C51 C48 -1.9(6) . .
C56 N4 C51 C48 -169.9(4) . .
O14 N3 C51 N4 -177.0(3) . .
C52 N3 C51 N4 10.4(4) . .
O14 N3 C51 C48 2.7(6) . .
C52 N3 C51 C48 -170.0(4) . .
C47 C48 C51 N4 -144.8(4) . .
C49 C48 C51 N4 34.1(6) . .
C47 C48 C51 N3 35.6(6) . .
C49 C48 C51 N3 -145.5(4) . .
C48 C47 C46 C45 1.6(6) . .
O16 C45 C46 C47 -179.6(4) . .
C50 C45 C46 C47 0.2(6) . .
O31 C95 C96 C97 -1.6(6) . .
C94 C95 C96 C97 176.4(4) . .
O30 C97 C96 C95 -4.2(6) . .
C98 C97 C96 C95 175.1(3) . .
Yb2 O19 C71 C70 -5.5(7) . .
Yb2 O19 C71 C72 175.4(3) . .
C84 C85 C80 C81 0.9(6) . .
C84 C85 C80 C79 -177.0(4) . .
C82 C81 C80 C85 -1.5(6) . .
C82 C81 C80 C79 176.5(4) . .
N6 C79 C80 C85 -151.4(4) . .
N5 C79 C80 C85 31.4(6) . .
N6 C79 C80 C81 30.7(6) . .
N5 C79 C80 C81 -146.5(4) . .
O28 C102 C103 F50 149.7(4) . .
C101 C102 C103 F50 -32.1(6) . .
O28 C102 C103 F51 28.5(6) . .
C101 C102 C103 F51 -153.3(4) . .
O28 C102 C103 F49 -91.3(5) . .
C101 C102 C103 F49 86.9(5) . .
C26 O9 C29 C30 169.9(3) . .
O15 N4 C56 C57 45.1(5) . .
C51 N4 C56 C57 -146.1(4) . .
O15 N4 C56 C55 -74.4(4) . .
C51 N4 C56 C55 94.3(4) . .
O15 N4 C56 C52 166.8(3) . .
C51 N4 C56 C52 -24.4(4) . .
O22 C64 C65 C66 1.1(7) . .
C63 C64 C65 C66 -179.0(4) . .
O18 C61 C60 C59 -0.4(6) . .
C62 C61 C60 C59 -177.2(4) . .
O17 C59 C60 C61 -0.2(7) . .
C58 C59 C60 C61 176.4(4) . .
O32 N7 C119 C117 41.6(5) . .
C113 N7 C119 C117 -149.4(3) . .
O32 N7 C119 C118 -79.2(4) . .
C113 N7 C119 C118 89.9(4) . .
O32 N7 C119 C114 162.6(3) . .
C113 N7 C119 C114 -28.3(4) . .
O2 C4 C5 F6 167.3(3) . .
C3 C4 C5 F6 -13.8(5) . .
O2 C4 C5 F4 -72.0(4) . .
C3 C4 C5 F4 106.9(4) . .
O2 C4 C5 F5 46.7(5) . .
C3 C4 C5 F5 -134.3(4) . .
O19 C71 C70 C69 2.8(7) . .
C72 C71 C70 C69 -178.3(4) . .
C29 O9 C26 C27 7.4(6) . .
C29 O9 C26 C25 -172.2(3) . .
C28 C27 C26 O9 -177.1(4) . .
C28 C27 C26 C25 2.5(6) . .
C24 C25 C26 O9 176.7(4) . .
C24 C25 C26 C27 -3.0(6) . .
O14 N3 C52 C54 41.2(5) . .
C51 N3 C52 C54 -145.8(4) . .
O14 N3 C52 C53 -78.8(4) . .
C51 N3 C52 C53 94.2(4) . .
O14 N3 C52 C56 162.3(3) . .
C51 N3 C52 C56 -24.7(4) . .
N4 C56 C52 N3 26.9(4) . .
C57 C56 C52 N3 145.0(3) . .
C55 C56 C52 N3 -85.1(4) . .
N4 C56 C52 C54 144.2(3) . .
C57 C56 C52 C54 -97.6(4) . .
C55 C56 C52 C54 32.3(5) . .
N4 C56 C52 C53 -86.4(4) . .
C57 C56 C52 C53 31.8(5) . .
C55 C56 C52 C53 161.7(3) . .
O17 C59 C58 F32 76.5(5) . .
C60 C59 C58 F32 -100.5(5) . .
O17 C59 C58 F31 -163.0(4) . .
C60 C59 C58 F31 20.0(6) . .
O17 C59 C58 F33 -42.7(5) . .
C60 C59 C58 F33 140.3(4) . .
O22 C64 C63 F43 -53.1(5) . .
C65 C64 C63 F43 127.0(4) . .
O22 C64 C63 F45 65.7(5) . .
C65 C64 C63 F45 -114.2(4) . .
O22 C64 C63 F44 -173.5(4) . .
C65 C64 C63 F44 6.6(6) . .
C107 C112 C111 C110 0.8(6) . .
C109 C110 C111 C112 1.5(5) . .
C113 C110 C111 C112 -178.8(3) . .
O33 N8 C114 C116 -80.6(4) . .
C113 N8 C114 C116 90.4(4) . .
O33 N8 C114 C115 41.0(5) . .
C113 N8 C114 C115 -148.0(3) . .
O33 N8 C114 C119 161.2(3) . .
C113 N8 C114 C119 -27.8(4) . .
N7 C119 C114 N8 30.4(3) . .
C117 C119 C114 N8 149.0(3) . .
C118 C119 C114 N8 -81.8(4) . .
N7 C119 C114 C116 -82.4(4) . .
C117 C119 C114 C116 36.1(5) . .
C118 C119 C114 C116 165.3(3) . .
N7 C119 C114 C115 148.2(3) . .
C117 C119 C114 C115 -93.3(4) . .
C118 C119 C114 C115 35.9(5) . .
Yb2 O20 C69 C70 -3.0(7) . .
Yb2 O20 C69 C68 177.0(3) . .
C71 C70 C69 O20 1.6(7) . .
C71 C70 C69 C68 -178.4(4) . .
F42 C68 C69 O20 -173.4(4) . .
F40 C68 C69 O20 -51.3(6) . .
F41 C68 C69 O20 64.6(5) . .
F42 C68 C69 C70 6.6(7) . .
F40 C68 C69 C70 128.7(5) . .
F41 C68 C69 C70 -115.4(5) . .
O34 C106 C105 C104 -125.1(6) . .
O4 C14 C15 F13 -47.4(5) . .
C13 C14 C15 F13 133.0(4) . .
O4 C14 C15 F14 72.6(5) . .
C13 C14 C15 F14 -107.0(4) . .
O4 C14 C15 F15 -167.7(4) . .
C13 C14 C15 F15 12.7(6) . .
C80 C85 C84 C83 0.6(6) . .
O25 C83 C84 C85 177.8(4) . .
C82 C83 C84 C85 -1.6(6) . .
O30 C97 C98 F63 174.3(3) . .
C96 C97 C98 F63 -5.1(5) . .
O30 C97 C98 F61 -62.0(5) . .
C96 C97 C98 F61 118.6(4) . .
O30 C97 C98 F62 54.8(5) . .
C96 C97 C98 F62 -124.6(4) . .
O6 C9 C8 C7 -0.6(7) . .
C10 C9 C8 C7 178.2(4) . .
O5 C7 C8 C9 -1.8(7) . .
C6 C7 C8 C9 -179.8(4) . .
O19 C71 C72 F37 -65.0(5) . .
C70 C71 C72 F37 115.9(5) . .
O19 C71 C72 F38 55.5(5) . .
C70 C71 C72 F38 -123.6(5) . .
O19 C71 C72 F39 174.6(4) . .
C70 C71 C72 F39 -4.5(6) . .
O10 C33 C32 F19 162.5(4) . .
C34 C33 C32 F19 -19.1(6) . .
O10 C33 C32 F20 41.3(5) . .
C34 C33 C32 F20 -140.3(4) . .
O10 C33 C32 F21 -76.8(4) . .
C34 C33 C32 F21 101.6(4) . .
O29 C100 C99 F54 56.7(5) . .
C101 C100 C99 F54 -122.6(5) . .
O29 C100 C99 F53 -61.4(5) . .
C101 C100 C99 F53 119.3(5) . .
O29 C100 C99 F52 177.7(4) . .
C101 C100 C99 F52 -1.6(6) . .
O9 C29 C30 C31 118.4(5) . .
N6 C77 C75 N5 22.3(4) . .
C76 C77 C75 N5 139.8(3) . .
C78 C77 C75 N5 -89.9(4) . .
N6 C77 C75 C73 140.1(4) . .
C76 C77 C75 C73 -102.4(4) . .
C78 C77 C75 C73 27.9(5) . .
N6 C77 C75 C74 -91.0(4) . .
C76 C77 C75 C74 26.6(5) . .
C78 C77 C75 C74 156.8(4) . .
O5 C7 C6 F9 40.1(5) . .
C8 C7 C6 F9 -141.6(4) . .
O5 C7 C6 F8 162.3(3) . .
C8 C7 C6 F8 -19.4(5) . .
O5 C7 C6 F7 -79.0(4) . .
C8 C7 C6 F7 99.3(4) . .
O27 C92 C93 F55 33.4(5) . .
C91 C92 C93 F55 -148.6(4) . .
O27 C92 C93 F56 -85.7(4) . .
C91 C92 C93 F56 92.3(4) . .
O27 C92 C93 F57 155.0(4) . .
C91 C92 C93 F57 -26.9(6) . .
O1 C2 C1 F2 75.0(5) . .
C3 C2 C1 F2 -103.5(4) . .
O1 C2 C1 F1 -44.3(5) . .
C3 C2 C1 F1 137.2(4) . .
O1 C2 C1 F3 -163.8(3) . .
C3 C2 C1 F3 17.7(5) . .
O27 C92 C91 C90 -5.2(7) . .
C93 C92 C91 C90 177.1(4) . .
O26 C90 C91 C92 -1.6(7) . .
C89 C90 C91 C92 178.8(4) . .
Yb2 O21 C66 C65 13.1(6) . .
Yb2 O21 C66 C67 -164.1(2) . .
C64 C65 C66 O21 2.6(7) . .
C64 C65 C66 C67 179.7(4) . .
F48 C67 C66 O21 -165.0(4) . .
F46 C67 C66 O21 74.9(5) . .
F47 C67 C66 O21 -43.4(5) . .
F48 C67 C66 C65 17.6(6) . .
F46 C67 C66 C65 -102.5(4) . .
F47 C67 C66 C65 139.1(4) . .
O4 C14 C13 C12 3.9(7) . .
C15 C14 C13 C12 -176.6(4) . .
O3 C12 C13 C14 -0.7(7) . .
C11 C12 C13 C14 177.0(4) . .
O18 C61 C62 F36 -72.1(5) . .
C60 C61 C62 F36 105.2(5) . .
O18 C61 C62 F34 47.8(5) . .
C60 C61 C62 F34 -134.9(4) . .
O18 C61 C62 F35 168.1(3) . .
C60 C61 C62 F35 -14.6(5) . .
O13 C38 C39 C40 0.6(7) . .
C37 C38 C39 C40 -178.7(4) . .
O12 C40 C39 C38 5.8(6) . .
C41 C40 C39 C38 -176.0(4) . .
O31 C95 C94 F66 80.9(4) . .
C96 C95 C94 F66 -97.3(4) . .
O31 C95 C94 F64 -38.5(5) . .
C96 C95 C94 F64 143.2(4) . .
O31 C95 C94 F65 -158.2(3) . .
C96 C95 C94 F65 23.6(5) . .
C39 C40 O12 Cu1 -1.9(6) . .
C41 C40 O12 Cu1 179.9(2) . .
O13 Cu1 O12 C40 -4.7(3) . .
O10 Cu1 O12 C40 -96.3(5) . .
O11 Cu1 O12 C40 162.2(3) . .
O8 Cu1 O12 C40 76.0(3) . .
O14 Cu1 O12 C40 -100.7(3) . .
Yb2 O23 N5 C79 89.4(4) . .
Yb2 O23 N5 C75 -100.4(4) . .
N6 C79 N5 O23 -179.9(3) . .
C80 C79 N5 O23 -2.3(6) . .
N6 C79 N5 C75 9.3(4) . .
C80 C79 N5 C75 -173.0(4) . .
C73 C75 N5 O23 46.7(5) . .
C74 C75 N5 O23 -72.9(4) . .
C77 C75 N5 O23 167.5(3) . .
C73 C75 N5 C79 -142.0(4) . .
C74 C75 N5 C79 98.4(4) . .
C77 C75 N5 C79 -21.2(4) . .
C45 O16 C44 C43 171.1(4) . .
O16 C44 C43 C42 126.1(5) . .
C83 O25 C86 C87 73.7(5) . .
O25 C86 C87 C88 -132.5(5) . .
