#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:17:58 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179962 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/56/7025629.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_7025629
loop_
_publ_author_name
'Chen, Hongxia'
'Liu, Peng'
'Yao, Haisheng'
'Zhang, Yong'
'Yao, Yingming'
'Shen, Qi'
_publ_section_title
;
 Controlled synthesis of mononuclear or binuclear aryloxo ytterbium
 complexes supported by beta-diketiminate ligand and their activity for
 polymerization of epsilon-caprolactone and L-lactide.
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6877
_journal_page_last               6885
_journal_paper_doi               10.1039/c002385j
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         'C74 H107 Cl3 N4 O2 Yb2, 2(0.5(C7 H8))'
_chemical_formula_sum            'C81 H115 Cl3 N4 O2 Yb2'
_chemical_formula_weight         1629.20
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.241(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.5214(15)
_cell_length_b                   23.325(2)
_cell_length_c                   22.216(2)
_cell_measurement_reflns_used    27866
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.3
_cell_measurement_theta_min      3.0
_cell_volume                     7978.9(13)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0956
_diffrn_reflns_av_sigmaI/netI    0.0791
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            77899
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.03
_exptl_absorpt_coefficient_mu    2.476
_exptl_absorpt_correction_T_max  0.610
_exptl_absorpt_correction_T_min  0.277
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.356
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3344
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.39
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.289
_refine_diff_density_min         -0.883
_refine_diff_density_rms         0.127
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.140
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     847
_refine_ls_number_reflns         14603
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.141
_refine_ls_R_factor_all          0.1021
_refine_ls_R_factor_gt           0.0734
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0234P)²+42.2306P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1216
_refine_ls_wR_factor_ref         0.1323
_reflns_number_gt                11302
_reflns_number_total             14603
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c002385j.txt
_cod_data_source_block           complex4
_cod_original_cell_volume        7978.8(14)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7025629
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Yb1 Yb 0.64212(2) 0.307882(15) 0.797933(17) 0.03457(11) Uani 1 1 d .
Yb2 Yb 0.45873(2) 0.240649(16) 0.870139(17) 0.03762(11) Uani 1 1 d .
Cl1 Cl 0.49078(15) 0.34644(10) 0.83955(12) 0.0525(6) Uani 1 1 d .
Cl2 Cl 0.51313(16) 0.22513(11) 0.76520(11) 0.0572(7) Uani 1 1 d .
Cl3 Cl 0.62772(14) 0.24418(11) 0.89973(10) 0.0518(6) Uani 1 1 d .
O1 O 0.7453(3) 0.2638(2) 0.7745(3) 0.0423(15) Uani 1 1 d .
O2 O 0.4573(4) 0.2756(3) 0.9672(3) 0.0549(17) Uani 1 1 d .
N1 N 0.6236(5) 0.3677(3) 0.7163(3) 0.0417(18) Uani 1 1 d .
N2 N 0.7155(4) 0.3858(3) 0.8416(3) 0.0394(17) Uani 1 1 d .
N3 N 0.4295(5) 0.1493(3) 0.9008(3) 0.0460(19) Uani 1 1 d .
N4 N 0.3092(4) 0.2438(3) 0.8491(3) 0.0403(17) Uani 1 1 d .
C1 C 0.6823(7) 0.4323(4) 0.6413(4) 0.060(3) Uani 1 1 d .
H1A H 0.7207 0.4101 0.6198 0.091 Uiso 1 1 calc R
H1B H 0.7020 0.4713 0.6444 0.091 Uiso 1 1 calc R
H1C H 0.6247 0.4310 0.6198 0.091 Uiso 1 1 calc R
C2 C 0.6815(6) 0.4073(4) 0.7052(4) 0.042(2) Uani 1 1 d .
C3 C 0.7472(6) 0.4285(4) 0.7481(4) 0.043(2) Uani 1 1 d .
H3 H 0.7884 0.4510 0.7323 0.051 Uiso 1 1 calc R
C4 C 0.7613(6) 0.4214(4) 0.8114(4) 0.042(2) Uani 1 1 d .
C5 C 0.8350(7) 0.4569(4) 0.8435(5) 0.060(3) Uani 1 1 d .
H5A H 0.8283 0.4601 0.8857 0.090 Uiso 1 1 calc R
H5B H 0.8341 0.4944 0.8257 0.090 Uiso 1 1 calc R
H5C H 0.8894 0.4386 0.8394 0.090 Uiso 1 1 calc R
C6 C 0.5517(6) 0.3587(4) 0.6693(4) 0.045(2) Uani 1 1 d .
C7 C 0.5555(7) 0.3143(4) 0.6257(4) 0.054(3) Uani 1 1 d .
C8 C 0.4822(8) 0.3062(5) 0.5837(5) 0.076(3) Uani 1 1 d .
H8 H 0.4829 0.2781 0.5541 0.091 Uiso 1 1 calc R
C9 C 0.4099(8) 0.3384(6) 0.5849(6) 0.084(4) Uani 1 1 d .
H9 H 0.3614 0.3311 0.5569 0.101 Uiso 1 1 calc R
C10 C 0.4065(7) 0.3815(5) 0.6265(5) 0.069(3) Uani 1 1 d .
H10 H 0.3565 0.4035 0.6260 0.082 Uiso 1 1 calc R
C11 C 0.4779(6) 0.3923(4) 0.6693(4) 0.047(2) Uani 1 1 d .
C12 C 0.6356(8) 0.2795(5) 0.6211(5) 0.074(3) Uani 1 1 d .
H12 H 0.6798 0.2909 0.6544 0.088 Uiso 1 1 calc R
C13 C 0.6205(10) 0.2146(5) 0.6264(6) 0.105(5) Uani 1 1 d .
H13A H 0.6032 0.2062 0.6655 0.158 Uiso 1 1 calc R
H13B H 0.6733 0.1945 0.6220 0.158 Uiso 1 1 calc R
H13C H 0.5757 0.2027 0.5952 0.158 Uiso 1 1 calc R
C14 C 0.6723(9) 0.2906(6) 0.5608(6) 0.098(4) Uani 1 1 d .
H14A H 0.6300 0.2796 0.5275 0.147 Uiso 1 1 calc R
H14B H 0.7242 0.2685 0.5598 0.147 Uiso 1 1 calc R
H14C H 0.6855 0.3306 0.5577 0.147 Uiso 1 1 calc R
C15 C 0.4723(7) 0.4415(4) 0.7130(5) 0.059(3) Uani 1 1 d .
H15 H 0.5163 0.4346 0.7479 0.070 Uiso 1 1 calc R
C16 C 0.3858(7) 0.4462(6) 0.7369(6) 0.088(4) Uani 1 1 d .
H16A H 0.3424 0.4585 0.7049 0.132 Uiso 1 1 calc R
H16B H 0.3900 0.4737 0.7694 0.132 Uiso 1 1 calc R
H16C H 0.3699 0.4095 0.7517 0.132 Uiso 1 1 calc R
C17 C 0.4937(10) 0.4986(5) 0.6858(7) 0.108(5) Uani 1 1 d .
H17A H 0.5522 0.4978 0.6761 0.162 Uiso 1 1 calc R
H17B H 0.4880 0.5286 0.7146 0.162 Uiso 1 1 calc R
H17C H 0.4544 0.5055 0.6496 0.162 Uiso 1 1 calc R
C18 C 0.7227(7) 0.3922(4) 0.9074(4) 0.051(2) Uani 1 1 d .
C19 C 0.6689(7) 0.4332(5) 0.9311(5) 0.058(3) Uani 1 1 d .
C20 C 0.6723(9) 0.4342(6) 0.9943(6) 0.082(4) Uani 1 1 d .
H20 H 0.6375 0.4600 1.0121 0.098 Uiso 1 1 calc R
C21 C 0.7243(10) 0.3991(8) 1.0296(6) 0.098(5) Uani 1 1 d .
H21 H 0.7235 0.4009 1.0713 0.118 Uiso 1 1 calc R
C22 C 0.7780(10) 0.3611(6) 1.0076(6) 0.091(4) Uani 1 1 d .
H22 H 0.8129 0.3375 1.0342 0.109 Uiso 1 1 calc R
C23 C 0.7816(7) 0.3571(5) 0.9453(4) 0.064(3) Uani 1 1 d .
C24 C 0.6134(8) 0.4750(5) 0.8919(5) 0.074(3) Uani 1 1 d .
H24 H 0.6059 0.4598 0.8505 0.089 Uiso 1 1 calc R
C25 C 0.5233(8) 0.4830(6) 0.9111(7) 0.104(5) Uani 1 1 d .
H25A H 0.4959 0.4463 0.9135 0.155 Uiso 1 1 calc R
H25B H 0.4888 0.5065 0.8818 0.155 Uiso 1 1 calc R
H25C H 0.5283 0.5013 0.9501 0.155 Uiso 1 1 calc R
C26 C 0.6581(10) 0.5332(6) 0.8905(7) 0.113(5) Uani 1 1 d .
H26A H 0.6660 0.5493 0.9306 0.170 Uiso 1 1 calc R
H26B H 0.6228 0.5585 0.8636 0.170 Uiso 1 1 calc R
H26C H 0.7137 0.5284 0.8764 0.170 Uiso 1 1 calc R
C27 C 0.8493(8) 0.3196(5) 0.9212(6) 0.076(3) Uani 1 1 d .
H27 H 0.8399 0.3204 0.8767 0.091 Uiso 1 1 calc R
C28 C 0.8480(9) 0.2577(6) 0.9423(9) 0.143(8) Uani 1 1 d .
H28A H 0.8407 0.2566 0.9845 0.214 Uiso 1 1 calc R
H28B H 0.9018 0.2395 0.9364 0.214 Uiso 1 1 calc R
H28C H 0.8008 0.2378 0.9192 0.214 Uiso 1 1 calc R
C29 C 0.9400(8) 0.3427(6) 0.9428(7) 0.105(5) Uani 1 1 d .
H29A H 0.9441 0.3817 0.9299 0.158 Uiso 1 1 calc R
H29B H 0.9825 0.3199 0.9259 0.158 Uiso 1 1 calc R
H29C H 0.9504 0.3409 0.9863 0.158 Uiso 1 1 calc R
C30 C 0.3484(7) 0.0780(5) 0.9557(6) 0.074(3) Uani 1 1 d .
H30A H 0.3195 0.0844 0.9909 0.111 Uiso 1 1 calc R
H30B H 0.4057 0.0634 0.9681 0.111 Uiso 1 1 calc R
H30C H 0.3160 0.0506 0.9296 0.111 Uiso 1 1 calc R
C31 C 0.3545(6) 0.1341(4) 0.9219(4) 0.050(2) Uani 1 1 d .
C32 C 0.2788(6) 0.1642(4) 0.9130(4) 0.051(2) Uani 1 1 d .
H32 H 0.2365 0.1517 0.9361 0.061 Uiso 1 1 calc R
C33 C 0.2540(5) 0.2107(4) 0.8748(4) 0.044(2) Uani 1 1 d .
C34 C 0.1560(6) 0.2197(5) 0.8625(5) 0.065(3) Uani 1 1 d .
H34A H 0.1440 0.2540 0.8391 0.097 Uiso 1 1 calc R
H34B H 0.1326 0.2232 0.9003 0.097 Uiso 1 1 calc R
H34C H 0.1299 0.1875 0.8403 0.097 Uiso 1 1 calc R
C35 C 0.4930(6) 0.1027(4) 0.8990(5) 0.049(2) Uani 1 1 d .
C36 C 0.4811(7) 0.0660(4) 0.8485(5) 0.058(3) Uani 1 1 d .
C37 C 0.5342(8) 0.0197(5) 0.8497(6) 0.076(3) Uani 1 1 d .
H37 H 0.5272 -0.0059 0.8174 0.091 Uiso 1 1 calc R
C38 C 0.5981(8) 0.0095(5) 0.8975(6) 0.069(3) Uani 1 1 d .
H38 H 0.6328 -0.0230 0.8976 0.083 Uiso 1 1 calc R
C39 C 0.6100(7) 0.0470(5) 0.9440(5) 0.065(3) Uani 1 1 d .
H39 H 0.6545 0.0401 0.9753 0.078 Uiso 1 1 calc R
C40 C 0.5593(6) 0.0949(4) 0.9472(5) 0.049(2) Uani 1 1 d .
C41 C 0.4108(7) 0.0747(5) 0.7957(5) 0.070(3) Uani 1 1 d .
H41 H 0.3868 0.1131 0.7997 0.084 Uiso 1 1 calc R
C42 C 0.3356(10) 0.0317(6) 0.7966(7) 0.125(6) Uani 1 1 d .
H42A H 0.2920 0.0390 0.7628 0.188 Uiso 1 1 calc R
H42B H 0.3106 0.0359 0.8337 0.188 Uiso 1 1 calc R
H42C H 0.3572 -0.0067 0.7938 0.188 Uiso 1 1 calc R
C43 C 0.4448(9) 0.0722(6) 0.7356(6) 0.104(5) Uani 1 1 d .
H43A H 0.4711 0.0355 0.7309 0.156 Uiso 1 1 calc R
H43B H 0.4872 0.1019 0.7337 0.156 Uiso 1 1 calc R
H43C H 0.3978 0.0777 0.7037 0.156 Uiso 1 1 calc R
C44 C 0.5771(7) 0.1345(5) 1.0008(5) 0.062(3) Uani 1 1 d .
H44 H 0.5480 0.1710 0.9896 0.074 Uiso 1 1 calc R
C45 C 0.6731(7) 0.1473(5) 1.0176(5) 0.079(4) Uani 1 1 d .
H45A H 0.7005 0.1155 1.0398 0.118 Uiso 1 1 calc R
H45B H 0.6797 0.1811 1.0423 0.118 Uiso 1 1 calc R
H45C H 0.6996 0.1533 0.9813 0.118 Uiso 1 1 calc R
C46 C 0.5400(8) 0.1116(6) 1.0569(5) 0.097(4) Uani 1 1 d .
H46A H 0.4779 0.1094 1.0486 0.145 Uiso 1 1 calc R
H46B H 0.5558 0.1368 1.0906 0.145 Uiso 1 1 calc R
H46C H 0.5631 0.0740 1.0666 0.145 Uiso 1 1 calc R
C47 C 0.2705(6) 0.2856(4) 0.8045(4) 0.050(2) Uani 1 1 d .
C48 C 0.2474(6) 0.3401(4) 0.8247(5) 0.053(3) Uani 1 1 d .
C49 C 0.2052(7) 0.3771(5) 0.7820(5) 0.065(3) Uani 1 1 d .
H49 H 0.1881 0.4131 0.7941 0.079 Uiso 1 1 calc R
C50 C 0.1883(8) 0.3615(6) 0.7223(6) 0.084(4) Uani 1 1 d .
H50 H 0.1587 0.3866 0.6945 0.101 Uiso 1 1 calc R
C51 C 0.2146(7) 0.3094(6) 0.7033(5) 0.071(3) Uani 1 1 d .
H51 H 0.2056 0.3005 0.6621 0.086 Uiso 1 1 calc R
C52 C 0.2540(6) 0.2698(4) 0.7432(4) 0.051(2) Uani 1 1 d .
C53 C 0.2655(7) 0.3597(5) 0.8901(5) 0.069(3) Uani 1 1 d .
H53 H 0.3094 0.3335 0.9102 0.083 Uiso 1 1 calc R
C54 C 0.3037(8) 0.4191(5) 0.8968(6) 0.092(4) Uani 1 1 d .
H54A H 0.2618 0.4465 0.8790 0.139 Uiso 1 1 calc R
H54B H 0.3548 0.4210 0.8765 0.139 Uiso 1 1 calc R
H54C H 0.3189 0.4277 0.9390 0.139 Uiso 1 1 calc R
C55 C 0.1875(11) 0.3558(8) 0.9246(7) 0.143(7) Uani 1 1 d .
H55A H 0.1404 0.3777 0.9039 0.215 Uiso 1 1 calc R
H55B H 0.2025 0.3707 0.9648 0.215 Uiso 1 1 calc R
H55C H 0.1700 0.3164 0.9269 0.215 Uiso 1 1 calc R
C56 C 0.2799(6) 0.2113(5) 0.7206(5) 0.059(3) Uani 1 1 d .
H56 H 0.3230 0.1945 0.7516 0.071 Uiso 1 1 calc R
C57 C 0.3220(8) 0.2174(6) 0.6620(5) 0.088(4) Uani 1 1 d .
H57A H 0.3486 0.1818 0.6531 0.132 Uiso 1 1 calc R
H57B H 0.3654 0.2470 0.6671 0.132 Uiso 1 1 calc R
H57C H 0.2784 0.2274 0.6291 0.132 Uiso 1 1 calc R
C58 C 0.2026(8) 0.1714(6) 0.7115(6) 0.099(4) Uani 1 1 d .
H58A H 0.1799 0.1663 0.7494 0.149 Uiso 1 1 calc R
H58B H 0.2203 0.1350 0.6972 0.149 Uiso 1 1 calc R
H58C H 0.1585 0.1876 0.6823 0.149 Uiso 1 1 calc R
C59 C 0.8134(6) 0.2316(4) 0.7605(4) 0.047(2) Uani 1 1 d .
C60 C 0.8862(6) 0.2569(4) 0.7411(4) 0.048(2) Uani 1 1 d .
C61 C 0.9545(7) 0.2234(5) 0.7289(5) 0.069(3) Uani 1 1 d .
H61 H 1.0032 0.2407 0.7163 0.083 Uiso 1 1 calc R
C62 C 0.9523(7) 0.1653(5) 0.7349(6) 0.077(4) Uani 1 1 d .
H62 H 0.9987 0.1431 0.7260 0.092 Uiso 1 1 calc R
C63 C 0.8808(8) 0.1399(5) 0.7542(6) 0.077(4) Uani 1 1 d .
H63 H 0.8792 0.1002 0.7579 0.092 Uiso 1 1 calc R
C64 C 0.8117(6) 0.1719(4) 0.7681(5) 0.054(3) Uani 1 1 d .
C65 C 0.8923(7) 0.3216(4) 0.7336(5) 0.063(3) Uani 1 1 d .
H65 H 0.8408 0.3385 0.7480 0.076 Uiso 1 1 calc R
C66 C 0.9703(9) 0.3479(6) 0.7695(8) 0.119(6) Uani 1 1 d .
H66A H 1.0218 0.3349 0.7539 0.179 Uiso 1 1 calc R
H66B H 0.9726 0.3367 0.8113 0.179 Uiso 1 1 calc R
H66C H 0.9666 0.3889 0.7664 0.179 Uiso 1 1 calc R
C67 C 0.8904(9) 0.3375(6) 0.6683(6) 0.105(5) Uani 1 1 d .
H67A H 0.8777 0.3776 0.6633 0.157 Uiso 1 1 calc R
H67B H 0.8464 0.3156 0.6442 0.157 Uiso 1 1 calc R
H67C H 0.9460 0.3295 0.6554 0.157 Uiso 1 1 calc R
C68 C 0.7358(8) 0.1424(5) 0.7922(7) 0.082(4) Uani 1 1 d .
H68 H 0.6907 0.1711 0.7961 0.099 Uiso 1 1 calc R
C69 C 0.7637(10) 0.1167(6) 0.8542(7) 0.119(6) Uani 1 1 d .
H69A H 0.7139 0.1013 0.8702 0.178 Uiso 1 1 calc R
H69B H 0.7900 0.1458 0.8810 0.178 Uiso 1 1 calc R
H69C H 0.8049 0.0865 0.8507 0.178 Uiso 1 1 calc R
C70 C 0.6975(9) 0.0961(5) 0.7512(7) 0.106(5) Uani 1 1 d .
H70A H 0.6743 0.1123 0.7128 0.160 Uiso 1 1 calc R
H70B H 0.6519 0.0774 0.7691 0.160 Uiso 1 1 calc R
H70C H 0.7417 0.0687 0.7451 0.160 Uiso 1 1 calc R
C71 C 0.3986(7) 0.2598(5) 1.0102(5) 0.068(3) Uani 1 1 d .
H71A H 0.4153 0.2231 1.0286 0.082 Uiso 1 1 calc R
H71B H 0.3397 0.2567 0.9898 0.082 Uiso 1 1 calc R
C72 C 0.4037(11) 0.3050(7) 1.0570(6) 0.113(5) Uani 1 1 d .
H72A H 0.3979 0.2889 1.0966 0.135 Uiso 1 1 calc R
H72B H 0.3591 0.3338 1.0471 0.135 Uiso 1 1 calc R
C73 C 0.4915(10) 0.3292(8) 1.0553(6) 0.138(7) Uani 1 1 d .
H73A H 0.4903 0.3704 1.0616 0.165 Uiso 1 1 calc R
H73B H 0.5320 0.3125 1.0873 0.165 Uiso 1 1 calc R
C74 C 0.5184(9) 0.3169(6) 0.9974(5) 0.090(4) Uani 1 1 d .
H74A H 0.5766 0.3011 1.0025 0.109 Uiso 1 1 calc R
H74B H 0.5184 0.3517 0.9735 0.109 Uiso 1 1 calc R
C75 C 0.502(2) 0.5356(18) 0.514(2) 0.145(17) Uiso 0.50 1 d PD
C76 C 0.442(2) 0.4925(13) 0.4985(13) 0.097(9) Uiso 0.50 1 d PD
C77 C 0.479(2) 0.4442(19) 0.474(2) 0.151(17) Uiso 0.50 1 d PD
C78 C 0.571(2) 0.4465(15) 0.4760(17) 0.131(12) Uiso 0.50 1 d PD
C79 C 0.625(2) 0.4914(14) 0.4933(14) 0.111(10) Uiso 0.50 1 d PD
C80 C 0.5930(19) 0.5401(14) 0.5188(16) 0.120(11) Uiso 0.50 1 d PD
C81 C 0.481(4) 0.591(2) 0.544(2) 0.21(2) Uiso 0.50 1 d PD
C82 C 0.9924(19) 0.4848(15) 1.0248(16) 0.114(11) Uiso 0.50 1 d PD
C83 C 1.064(3) 0.4908(18) 0.9937(16) 0.089(13) Uiso 0.50 1 d PD
C84 C 1.063(2) 0.5276(14) 0.9428(14) 0.117(11) Uiso 0.50 1 d PD
C85 C 0.986(2) 0.5595(17) 0.9248(17) 0.114(14) Uiso 0.50 1 d PD
C86 C 0.9206(18) 0.5512(12) 0.9585(12) 0.093(8) Uiso 0.50 1 d PD
C87 C 0.914(3) 0.515(2) 1.007(2) 0.14(2) Uiso 0.50 1 d PD
C88 C 0.980(5) 0.449(3) 1.078(3) 0.21(2) Uiso 0.50 1 d PD
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O1 Yb1 N1 97.5(2) . .
O1 Yb1 N2 98.3(2) . .
N1 Yb1 N2 81.8(3) . .
O1 Yb1 Cl3 94.97(17) . .
N1 Yb1 Cl3 167.10(18) . .
N2 Yb1 Cl3 99.68(18) . .
O1 Yb1 Cl1 168.02(16) . .
N1 Yb1 Cl1 92.27(18) . .
N2 Yb1 Cl1 89.89(18) . .
Cl3 Yb1 Cl1 74.96(7) . .
O1 Yb1 Cl2 98.34(17) . .
N1 Yb1 Cl2 101.56(19) . .
N2 Yb1 Cl2 162.38(18) . .
Cl3 Yb1 Cl2 73.22(7) . .
Cl1 Yb1 Cl2 72.78(7) . .
O1 Yb1 Yb2 124.09(16) . .
N1 Yb1 Yb2 124.47(18) . .
N2 Yb1 Yb2 120.62(17) . .
Cl3 Yb1 Yb2 43.96(5) . .
Cl1 Yb1 Yb2 43.94(5) . .
Cl2 Yb1 Yb2 43.51(5) . .
N3 Yb2 O2 91.4(3) . .
N3 Yb2 N4 81.8(3) . .
O2 Yb2 N4 92.9(2) . .
N3 Yb2 Cl2 103.6(2) . .
O2 Yb2 Cl2 158.17(16) . .
N4 Yb2 Cl2 104.75(17) . .
N3 Yb2 Cl1 177.6(2) . .
O2 Yb2 Cl1 86.23(17) . .
N4 Yb2 Cl1 97.84(19) . .
Cl2 Yb2 Cl1 78.77(8) . .
N3 Yb2 Cl3 100.57(19) . .
O2 Yb2 Cl3 83.21(17) . .
N4 Yb2 Cl3 175.40(18) . .
Cl2 Yb2 Cl3 78.57(8) . .
Cl1 Yb2 Cl3 79.58(8) . .
N3 Yb2 Yb1 134.24(19) . .
O2 Yb2 Yb1 110.26(15) . .
N4 Yb2 Yb1 133.82(17) . .
Cl2 Yb2 Yb1 48.01(5) . .
Cl1 Yb2 Yb1 47.34(5) . .
Cl3 Yb2 Yb1 46.43(5) . .
Yb2 Cl1 Yb1 88.72(7) . .
Yb2 Cl2 Yb1 88.49(7) . .
Yb2 Cl3 Yb1 89.61(7) . .
C59 O1 Yb1 176.8(6) . .
C71 O2 C74 106.9(8) . .
C71 O2 Yb2 127.4(6) . .
C74 O2 Yb2 125.7(6) . .
C2 N1 C6 116.4(7) . .
C2 N1 Yb1 123.5(6) . .
C6 N1 Yb1 119.7(5) . .
C4 N2 C18 117.6(7) . .
C4 N2 Yb1 123.4(6) . .
C18 N2 Yb1 118.5(5) . .
C31 N3 C35 115.0(7) . .
C31 N3 Yb2 123.7(6) . .
C35 N3 Yb2 121.2(5) . .
C33 N4 C47 116.3(7) . .
C33 N4 Yb2 125.4(6) . .
C47 N4 Yb2 118.3(5) . .
C2 C1 H1A 109.5 . .
C2 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
C2 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
N1 C2 C3 124.7(8) . .
N1 C2 C1 121.2(8) . .
C3 C2 C1 114.0(8) . .
C2 C3 C4 130.6(8) . .
C2 C3 H3 114.7 . .
C4 C3 H3 114.7 . .
N2 C4 C3 123.6(8) . .
N2 C4 C5 121.6(8) . .
C3 C4 C5 114.8(8) . .
C4 C5 H5A 109.5 . .
C4 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
C4 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
C11 C6 C7 120.9(9) . .
C11 C6 N1 118.8(8) . .
C7 C6 N1 120.2(8) . .
C8 C7 C6 117.1(10) . .
C8 C7 C12 119.8(10) . .
C6 C7 C12 123.0(9) . .
C9 C8 C7 121.4(11) . .
C9 C8 H8 119.3 . .
C7 C8 H8 119.3 . .
C8 C9 C10 121.5(12) . .
C8 C9 H9 119.2 . .
C10 C9 H9 119.2 . .
C9 C10 C11 119.9(11) . .
C9 C10 H10 120.0 . .
C11 C10 H10 120.0 . .
C6 C11 C10 119.1(10) . .
C6 C11 C15 122.7(9) . .
C10 C11 C15 118.2(10) . .
C7 C12 C13 113.1(11) . .
C7 C12 C14 111.6(10) . .
C13 C12 C14 108.0(10) . .
C7 C12 H12 108.0 . .
C13 C12 H12 108.0 . .
C14 C12 H12 108.0 . .
C12 C13 H13A 109.5 . .
C12 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C12 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C12 C14 H14A 109.5 . .
C12 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C12 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C16 C15 C11 114.0(9) . .
C16 C15 C17 108.9(10) . .
C11 C15 C17 112.2(9) . .
C16 C15 H15 107.1 . .
C11 C15 H15 107.1 . .
C17 C15 H15 107.1 . .
C15 C16 H16A 109.5 . .
C15 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C15 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C15 C17 H17A 109.5 . .
C15 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C15 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C19 C18 C23 122.4(9) . .
C19 C18 N2 117.8(9) . .
C23 C18 N2 119.8(9) . .
C20 C19 C18 115.8(11) . .
C20 C19 C24 121.1(11) . .
C18 C19 C24 123.0(9) . .
C21 C20 C19 121.5(14) . .
C21 C20 H20 119.2 . .
C19 C20 H20 119.2 . .
C20 C21 C22 123.2(14) . .
C20 C21 H21 118.4 . .
C22 C21 H21 118.4 . .
C21 C22 C23 120.4(13) . .
C21 C22 H22 119.8 . .
C23 C22 H22 119.8 . .
C22 C23 C18 116.5(12) . .
C22 C23 C27 120.4(12) . .
C18 C23 C27 123.1(9) . .
C19 C24 C25 113.4(11) . .
C19 C24 C26 111.1(10) . .
C25 C24 C26 109.4(10) . .
C19 C24 H24 107.6 . .
C25 C24 H24 107.6 . .
C26 C24 H24 107.6 . .
C24 C25 H25A 109.5 . .
C24 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C24 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C24 C26 H26A 109.5 . .
C24 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C24 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C23 C27 C28 113.8(12) . .
C23 C27 C29 109.8(10) . .
C28 C27 C29 106.6(10) . .
C23 C27 H27 108.9 . .
C28 C27 H27 108.9 . .
C29 C27 H27 108.9 . .
C27 C28 H28A 109.5 . .
C27 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C27 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C27 C29 H29A 109.5 . .
C27 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
C27 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C31 C30 H30A 109.5 . .
C31 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C31 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
N3 C31 C32 125.3(8) . .
N3 C31 C30 120.4(9) . .
C32 C31 C30 114.2(9) . .
C31 C32 C33 130.8(9) . .
C31 C32 H32 114.6 . .
C33 C32 H32 114.6 . .
N4 C33 C32 124.3(8) . .
N4 C33 C34 121.6(8) . .
C32 C33 C34 114.0(8) . .
C33 C34 H34A 109.5 . .
C33 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C33 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
C40 C35 C36 122.7(9) . .
C40 C35 N3 120.4(9) . .
C36 C35 N3 116.9(9) . .
C37 C36 C35 116.8(11) . .
C37 C36 C41 120.0(11) . .
C35 C36 C41 123.1(9) . .
C36 C37 C38 122.0(12) . .
C36 C37 H37 119.0 . .
C38 C37 H37 119.0 . .
C39 C38 C37 119.5(11) . .
C39 C38 H38 120.2 . .
C37 C38 H38 120.2 . .
C38 C39 C40 122.9(11) . .
C38 C39 H39 118.6 . .
C40 C39 H39 118.6 . .
C39 C40 C35 115.9(10) . .
C39 C40 C44 119.4(10) . .
C35 C40 C44 124.7(9) . .
C43 C41 C36 112.7(10) . .
C43 C41 C42 109.9(10) . .
C36 C41 C42 112.1(11) . .
C43 C41 H41 107.3 . .
C36 C41 H41 107.3 . .
C42 C41 H41 107.3 . .
C41 C42 H42A 109.5 . .
C41 C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
C41 C42 H42C 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
C41 C43 H43A 109.5 . .
C41 C43 H43B 109.5 . .
H43A C43 H43B 109.5 . .
C41 C43 H43C 109.5 . .
H43A C43 H43C 109.5 . .
H43B C43 H43C 109.5 . .
C40 C44 C45 113.0(9) . .
C40 C44 C46 112.2(9) . .
C45 C44 C46 109.0(9) . .
C40 C44 H44 107.4 . .
C45 C44 H44 107.4 . .
C46 C44 H44 107.4 . .
C44 C45 H45A 109.5 . .
C44 C45 H45B 109.5 . .
H45A C45 H45B 109.5 . .
C44 C45 H45C 109.5 . .
H45A C45 H45C 109.5 . .
H45B C45 H45C 109.5 . .
C44 C46 H46A 109.5 . .
C44 C46 H46B 109.5 . .
H46A C46 H46B 109.5 . .
C44 C46 H46C 109.5 . .
H46A C46 H46C 109.5 . .
H46B C46 H46C 109.5 . .
C52 C47 C48 121.5(9) . .
C52 C47 N4 119.4(9) . .
C48 C47 N4 119.0(9) . .
C49 C48 C47 117.6(10) . .
C49 C48 C53 118.9(10) . .
C47 C48 C53 123.5(9) . .
C50 C49 C48 120.9(11) . .
C50 C49 H49 119.5 . .
C48 C49 H49 119.5 . .
C51 C50 C49 120.5(11) . .
C51 C50 H50 119.7 . .
C49 C50 H50 119.7 . .
C50 C51 C52 121.7(11) . .
C50 C51 H51 119.1 . .
C52 C51 H51 119.1 . .
C51 C52 C47 117.6(10) . .
C51 C52 C56 120.3(10) . .
C47 C52 C56 122.1(9) . .
C54 C53 C48 113.2(10) . .
C54 C53 C55 109.6(11) . .
C48 C53 C55 113.9(11) . .
C54 C53 H53 106.6 . .
C48 C53 H53 106.6 . .
C55 C53 H53 106.6 . .
C53 C54 H54A 109.5 . .
C53 C54 H54B 109.5 . .
H54A C54 H54B 109.5 . .
C53 C54 H54C 109.5 . .
H54A C54 H54C 109.5 . .
H54B C54 H54C 109.5 . .
C53 C55 H55A 109.5 . .
C53 C55 H55B 109.5 . .
H55A C55 H55B 109.5 . .
C53 C55 H55C 109.5 . .
H55A C55 H55C 109.5 . .
H55B C55 H55C 109.5 . .
C58 C56 C52 110.9(9) . .
C58 C56 C57 111.2(10) . .
C52 C56 C57 110.7(9) . .
C58 C56 H56 108.0 . .
C52 C56 H56 108.0 . .
C57 C56 H56 108.0 . .
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 . .
C56 C58 H58A 109.5 . .
C56 C58 H58B 109.5 . .
H58A C58 H58B 109.5 . .
C56 C58 H58C 109.5 . .
H58A C58 H58C 109.5 . .
H58B C58 H58C 109.5 . .
O1 C59 C60 121.4(8) . .
O1 C59 C64 119.4(8) . .
C60 C59 C64 119.1(8) . .
C61 C60 C59 120.0(9) . .
C61 C60 C65 118.9(9) . .
C59 C60 C65 121.2(8) . .
C62 C61 C60 121.1(10) . .
C62 C61 H61 119.5 . .
C60 C61 H61 119.5 . .
C61 C62 C63 119.5(10) . .
C61 C62 H62 120.3 . .
C63 C62 H62 120.3 . .
C62 C63 C64 121.3(10) . .
C62 C63 H63 119.3 . .
C64 C63 H63 119.3 . .
C63 C64 C59 119.0(9) . .
C63 C64 C68 119.8(9) . .
C59 C64 C68 121.2(8) . .
C66 C65 C67 109.3(11) . .
C66 C65 C60 113.9(10) . .
C67 C65 C60 111.0(10) . .
C66 C65 H65 107.4 . .
C67 C65 H65 107.4 . .
C60 C65 H65 107.4 . .
C65 C66 H66A 109.5 . .
C65 C66 H66B 109.5 . .
H66A C66 H66B 109.5 . .
C65 C66 H66C 109.5 . .
H66A C66 H66C 109.5 . .
H66B C66 H66C 109.5 . .
C65 C67 H67A 109.5 . .
C65 C67 H67B 109.5 . .
H67A C67 H67B 109.5 . .
C65 C67 H67C 109.5 . .
H67A C67 H67C 109.5 . .
H67B C67 H67C 109.5 . .
C70 C68 C69 108.4(10) . .
C70 C68 C64 112.3(11) . .
C69 C68 C64 110.8(11) . .
C70 C68 H68 108.4 . .
C69 C68 H68 108.4 . .
C64 C68 H68 108.4 . .
C68 C69 H69A 109.5 . .
C68 C69 H69B 109.5 . .
H69A C69 H69B 109.5 . .
C68 C69 H69C 109.5 . .
H69A C69 H69C 109.5 . .
H69B C69 H69C 109.5 . .
C68 C70 H70A 109.5 . .
C68 C70 H70B 109.5 . .
H70A C70 H70B 109.5 . .
C68 C70 H70C 109.5 . .
H70A C70 H70C 109.5 . .
H70B C70 H70C 109.5 . .
O2 C71 C72 107.5(9) . .
O2 C71 H71A 110.2 . .
C72 C71 H71A 110.2 . .
O2 C71 H71B 110.2 . .
C72 C71 H71B 110.2 . .
H71A C71 H71B 108.5 . .
C71 C72 C73 102.8(11) . .
C71 C72 H72A 111.2 . .
C73 C72 H72A 111.2 . .
C71 C72 H72B 111.2 . .
C73 C72 H72B 111.2 . .
H72A C72 H72B 109.1 . .
C74 C73 C72 108.7(11) . .
C74 C73 H73A 110.0 . .
C72 C73 H73A 110.0 . .
C74 C73 H73B 110.0 . .
C72 C73 H73B 110.0 . .
H73A C73 H73B 108.3 . .
C73 C74 O2 107.5(10) . .
C73 C74 H74A 110.2 . .
O2 C74 H74A 110.2 . .
C73 C74 H74B 110.2 . .
O2 C74 H74B 110.2 . .
H74A C74 H74B 108.5 . .
C77 C75 C76 102(4) 3_666 3_666
C77 C75 C78 94(5) 3_666 3_666
C76 C75 C78 164(5) 3_666 3_666
C77 C75 C76 163(8) 3_666 .
C76 C75 C76 92(4) 3_666 .
C78 C75 C76 72(2) 3_666 .
C77 C75 C80 58(3) 3_666 .
C76 C75 C80 44(2) 3_666 .
C78 C75 C80 152(4) 3_666 .
C76 C75 C80 135(4) . .
C77 C75 C81 42(4) 3_666 .
C76 C75 C81 143(4) 3_666 .
C78 C75 C81 52(3) 3_666 .
C76 C75 C81 124(4) . .
C80 C75 C81 100(3) . .
C77 C75 C75 152(7) 3_666 3_666
C76 C75 C75 51(3) 3_666 3_666
C78 C75 C75 113(3) 3_666 3_666
C76 C75 C75 40.7(19) . 3_666
C80 C75 C75 95(3) . 3_666
C81 C75 C75 164(4) . 3_666
C80 C76 C79 81(3) 3_666 3_666
C80 C76 C75 82(3) 3_666 3_666
C79 C76 C75 163(4) 3_666 3_666
C80 C76 C75 168(4) 3_666 .
C79 C76 C75 109(3) 3_666 .
C75 C76 C75 88(4) 3_666 .
C80 C76 C77 57(2) 3_666 .
C79 C76 C77 139(3) 3_666 .
C75 C76 C77 25(3) 3_666 .
C75 C76 C77 113(4) . .
C80 C76 C78 140(3) 3_666 3_666
C79 C76 C78 58.9(18) 3_666 3_666
C75 C76 C78 138(4) 3_666 3_666
C75 C76 C78 50(2) . 3_666
C77 C76 C78 162(3) . 3_666
C80 C76 C76 131(3) 3_666 3_666
C79 C76 C76 148(3) 3_666 3_666
C75 C76 C76 49(3) 3_666 3_666
C75 C76 C76 39(2) . 3_666
C77 C76 C76 74(3) . 3_666
C78 C76 C76 89(2) 3_666 3_666
C80 C76 C77 173(4) 3_666 3_666
C79 C76 C77 104(3) 3_666 3_666
C75 C76 C77 92(3) 3_666 3_666
C75 C76 C77 5(2) . 3_666
C77 C76 C77 117(3) . 3_666
C78 C76 C77 45.6(14) 3_666 3_666
C76 C76 C77 43.3(12) 3_666 3_666
C75 C77 C81 117(6) 3_666 3_666
C75 C77 C80 97(4) 3_666 3_666
C81 C77 C80 146(6) 3_666 3_666
C75 C77 C76 53(4) 3_666 .
C81 C77 C76 171(6) 3_666 .
C80 C77 C76 43(2) 3_666 .
C75 C77 C78 61(5) 3_666 .
C81 C77 C78 56(3) 3_666 .
C80 C77 C78 158(4) 3_666 .
C76 C77 C78 114(4) . .
C75 C77 C76 12(5) 3_666 3_666
C81 C77 C76 108(4) 3_666 3_666
C80 C77 C76 106(4) 3_666 3_666
C76 C77 C76 63(3) . 3_666
C78 C77 C76 51(2) . 3_666
C81 C78 C75 75(3) 3_666 3_666
C81 C78 C79 174(5) 3_666 .
C75 C78 C79 104(3) 3_666 .
C81 C78 C77 50(3) 3_666 .
C75 C78 C77 25(2) 3_666 .
C79 C78 C77 128(4) . .
C81 C78 C76 132(4) 3_666 3_666
C75 C78 C76 58.1(19) 3_666 3_666
C79 C78 C76 45(2) . 3_666
C77 C78 C76 83(3) . 3_666
C76 C79 C78 76(3) 3_666 .
C76 C79 C80 44(2) 3_666 .
C78 C79 C80 120(3) . .
C76 C80 C77 80(3) 3_666 3_666
C76 C80 C79 54(3) 3_666 .
C77 C80 C79 134(4) 3_666 .
C76 C80 C75 54(3) 3_666 .
C77 C80 C75 25(3) 3_666 .
C79 C80 C75 109(3) . .
C77 C81 C78 74(3) 3_666 3_666
C77 C81 C75 21(3) 3_666 .
C78 C81 C75 53(2) 3_666 .
C83 C82 C84 76(3) 3_767 3_767
C83 C82 C82 68(3) 3_767 3_767
C84 C82 C82 144(4) 3_767 3_767
C83 C82 C83 114(4) 3_767 .
C84 C82 C83 169(4) 3_767 .
C82 C82 C83 46(3) 3_767 .
C83 C82 C87 7(3) 3_767 .
C84 C82 C87 69.1(19) 3_767 .
C82 C82 C87 75(3) 3_767 .
C83 C82 C87 121(4) . .
C83 C82 C88 115(5) 3_767 .
C84 C82 C88 39(3) 3_767 .
C82 C82 C88 176(5) 3_767 .
C83 C82 C88 130(4) . .
C87 C82 C88 108(4) . .
C83 C82 C85 137(4) 3_767 3_767
C84 C82 C85 61(2) 3_767 3_767
C82 C82 C85 155(4) 3_767 3_767
C83 C82 C85 109(3) . 3_767
C87 C82 C85 130(3) . 3_767
C88 C82 C85 22(3) . 3_767
C83 C82 C86 171(4) 3_767 3_767
C84 C82 C86 112(3) 3_767 3_767
C82 C82 C86 104(3) 3_767 3_767
C83 C82 C86 57.5(19) . 3_767
C87 C82 C86 177(4) . 3_767
C88 C82 C86 73(3) . 3_767
C85 C82 C86 51.1(13) 3_767 3_767
C83 C82 C87 122(4) 3_767 3_767
C84 C82 C87 162(3) 3_767 3_767
C82 C82 C87 54(2) 3_767 3_767
C83 C82 C87 7.7(17) . 3_767
C87 C82 C87 129(3) . 3_767
C88 C82 C87 123(4) . 3_767
C85 C82 C87 101(2) 3_767 3_767
C86 C82 C87 49.8(15) 3_767 3_767
C87 C83 C82 152(9) 3_767 3_767
C87 C83 C82 142(8) 3_767 .
C82 C83 C82 66(4) 3_767 .
C87 C83 C84 96(7) 3_767 .
C82 C83 C84 57(2) 3_767 .
C82 C83 C84 122(4) . .
C87 C83 C86 73(7) 3_767 3_767
C82 C83 C86 134(5) 3_767 3_767
C82 C83 C86 69(2) . 3_767
C84 C83 C86 169(4) . 3_767
C88 C84 C82 86(4) 3_767 3_767
C88 C84 C83 133(5) 3_767 .
C82 C84 C83 47(2) 3_767 .
C88 C84 C85 15(4) 3_767 .
C82 C84 C85 70(3) 3_767 .
C83 C84 C85 118(4) . .
C88 C84 C87 147(5) 3_767 3_767
C82 C84 C87 61.4(18) 3_767 3_767
C83 C84 C87 14(2) . 3_767
C85 C84 C87 132(3) . 3_767
C88 C85 C86 141(7) 3_767 .
C88 C85 C84 26(5) 3_767 .
C86 C85 C84 116(3) . .
C88 C85 C82 74(5) 3_767 3_767
C86 C85 C82 67(2) . 3_767
C84 C85 C82 49(2) . 3_767
C85 C86 C87 131(3) . .
C85 C86 C83 116(3) . 3_767
C87 C86 C83 15(2) . 3_767
C85 C86 C82 62(2) . 3_767
C87 C86 C82 69(2) . 3_767
C83 C86 C82 53.9(13) 3_767 3_767
C85 C86 C88 11(2) . 3_767
C87 C86 C88 119(3) . 3_767
C83 C86 C88 105(2) 3_767 3_767
C82 C86 C88 50.7(15) 3_767 3_767
C83 C87 C86 92(8) 3_767 .
C83 C87 C82 21(7) 3_767 .
C86 C87 C82 112(3) . .
C83 C87 C84 70(6) 3_767 3_767
C86 C87 C84 162(4) . 3_767
C82 C87 C84 49.4(18) . 3_767
C83 C87 C82 30(7) 3_767 3_767
C86 C87 C82 61.6(19) . 3_767
C82 C87 C82 51(3) . 3_767
C84 C87 C82 100(3) 3_767 3_767
C85 C88 C84 139(8) 3_767 3_767
C85 C88 C82 84(6) 3_767 .
C84 C88 C82 55(3) 3_767 .
C85 C88 C86 28(5) 3_767 3_767
C84 C88 C86 112(4) 3_767 3_767
C82 C88 C86 56(2) . 3_767
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Yb1 O1 2.026(5) .
Yb1 N1 2.278(7) .
Yb1 N2 2.294(7) .
Yb1 Cl3 2.738(2) .
Yb1 Cl1 2.780(2) .
Yb1 Cl2 2.810(2) .
Yb1 Yb2 3.7797(6) .
Yb2 N3 2.300(7) .
Yb2 O2 2.307(6) .
Yb2 N4 2.310(7) .
Yb2 Cl2 2.603(2) .
Yb2 Cl1 2.624(2) .
Yb2 Cl3 2.624(2) .
O1 C59 1.364(10) .
O2 C71 1.449(11) .
O2 C74 1.455(12) .
N1 C2 1.334(10) .
N1 C6 1.443(11) .
N2 C4 1.330(10) .
N2 C18 1.460(11) .
N3 C31 1.355(11) .
N3 C35 1.471(11) .
N4 C33 1.334(10) .
N4 C47 1.465(11) .
C1 C2 1.535(12) .
C1 H1A 0.9600 .
C1 H1B 0.9600 .
C1 H1C 0.9600 .
C2 C3 1.396(12) .
C3 C4 1.404(12) .
C3 H3 0.9300 .
C4 C5 1.515(12) .
C5 H5A 0.9600 .
C5 H5B 0.9600 .
C5 H5C 0.9600 .
C6 C11 1.388(12) .
C6 C7 1.425(13) .
C7 C8 1.390(14) .
C7 C12 1.499(14) .
C8 C9 1.353(16) .
C8 H8 0.9300 .
C9 C10 1.370(16) .
C9 H9 0.9300 .
C10 C11 1.389(13) .
C10 H10 0.9300 .
C11 C15 1.513(13) .
C12 C13 1.538(16) .
C12 C14 1.541(15) .
C12 H12 0.9800 .
C13 H13A 0.9600 .
C13 H13B 0.9600 .
C13 H13C 0.9600 .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C15 C16 1.510(14) .
C15 C17 1.516(15) .
C15 H15 0.9800 .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C18 C19 1.414(14) .
C18 C23 1.421(14) .
C19 C20 1.398(14) .
C19 C24 1.504(15) .
C20 C21 1.332(18) .
C20 H20 0.9300 .
C21 C22 1.350(19) .
C21 H21 0.9300 .
C22 C23 1.395(16) .
C22 H22 0.9300 .
C23 C27 1.516(16) .
C24 C25 1.525(15) .
C24 C26 1.527(16) .
C24 H24 0.9800 .
C25 H25A 0.9600 .
C25 H25B 0.9600 .
C25 H25C 0.9600 .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
C27 C28 1.519(16) .
C27 C29 1.527(15) .
C27 H27 0.9800 .
C28 H28A 0.9600 .
C28 H28B 0.9600 .
C28 H28C 0.9600 .
C29 H29A 0.9600 .
C29 H29B 0.9600 .
C29 H29C 0.9600 .
C30 C31 1.518(12) .
C30 H30A 0.9600 .
C30 H30B 0.9600 .
C30 H30C 0.9600 .
C31 C32 1.362(13) .
C32 C33 1.401(12) .
C32 H32 0.9300 .
C33 C34 1.524(12) .
C34 H34A 0.9600 .
C34 H34B 0.9600 .
C34 H34C 0.9600 .
C35 C40 1.401(13) .
C35 C36 1.405(13) .
C36 C37 1.355(14) .
C36 C41 1.513(15) .
C37 C38 1.379(16) .
C37 H37 0.9300 .
C38 C39 1.349(15) .
C38 H38 0.9300 .
C39 C40 1.374(13) .
C39 H39 0.9300 .
C40 C44 1.505(13) .
C41 C43 1.496(16) .
C41 C42 1.541(16) .
C41 H41 0.9800 .
C42 H42A 0.9600 .
C42 H42B 0.9600 .
C42 H42C 0.9600 .
C43 H43A 0.9600 .
C43 H43B 0.9600 .
C43 H43C 0.9600 .
C44 C45 1.518(14) .
C44 C46 1.535(14) .
C44 H44 0.9800 .
C45 H45A 0.9600 .
C45 H45B 0.9600 .
C45 H45C 0.9600 .
C46 H46A 0.9600 .
C46 H46B 0.9600 .
C46 H46C 0.9600 .
C47 C52 1.403(13) .
C47 C48 1.410(13) .
C48 C49 1.383(13) .
C48 C53 1.515(14) .
C49 C50 1.369(16) .
C49 H49 0.9300 .
C50 C51 1.368(16) .
C50 H50 0.9300 .
C51 C52 1.369(14) .
C51 H51 0.9300 .
C52 C56 1.526(14) .
C53 C54 1.509(15) .
C53 C55 1.515(16) .
C53 H53 0.9800 .
C54 H54A 0.9600 .
C54 H54B 0.9600 .
C54 H54C 0.9600 .
C55 H55A 0.9600 .
C55 H55B 0.9600 .
C55 H55C 0.9600 .
C56 C58 1.511(14) .
C56 C57 1.536(14) .
C56 H56 0.9800 .
C57 H57A 0.9600 .
C57 H57B 0.9600 .
C57 H57C 0.9600 .
C58 H58A 0.9600 .
C58 H58B 0.9600 .
C58 H58C 0.9600 .
C59 C60 1.390(12) .
C59 C64 1.405(13) .
C60 C61 1.371(13) .
C60 C65 1.522(13) .
C61 C62 1.363(14) .
C61 H61 0.9300 .
C62 C63 1.373(14) .
C62 H62 0.9300 .
C63 C64 1.373(13) .
C63 H63 0.9300 .
C64 C68 1.518(14) .
C65 C66 1.495(16) .
C65 C67 1.496(15) .
C65 H65 0.9800 .
C66 H66A 0.9600 .
C66 H66B 0.9600 .
C66 H66C 0.9600 .
C67 H67A 0.9600 .
C67 H67B 0.9600 .
C67 H67C 0.9600 .
C68 C70 1.489(17) .
C68 C69 1.516(18) .
C68 H68 0.9800 .
C69 H69A 0.9600 .
C69 H69B 0.9600 .
C69 H69C 0.9600 .
C70 H70A 0.9600 .
C70 H70B 0.9600 .
C70 H70C 0.9600 .
C71 C72 1.476(15) .
C71 H71A 0.9700 .
C71 H71B 0.9700 .
C72 C73 1.480(18) .
C72 H72A 0.9700 .
C72 H72B 0.9700 .
C73 C74 1.430(15) .
C73 H73A 0.9700 .
C73 H73B 0.9700 .
C74 H74A 0.9700 .
C74 H74B 0.9700 .
C75 C77 0.61(5) 3_666
C75 C76 1.16(4) 3_666
C75 C78 1.24(5) 3_666
C75 C76 1.384(18) .
C75 C80 1.410(19) .
C75 C81 1.504(14) .
C75 C75 1.77(8) 3_666
C76 C80 0.98(4) 3_666
C76 C79 1.14(4) 3_666
C76 C75 1.16(4) 3_666
C76 C77 1.409(19) .
C76 C78 1.55(4) 3_666
C76 C76 1.83(7) 3_666
C76 C77 1.97(5) 3_666
C77 C75 0.61(5) 3_666
C77 C81 1.13(5) 3_666
C77 C80 1.20(3) 3_666
C77 C78 1.421(19) .
C77 C76 1.97(5) 3_666
C78 C81 1.23(6) 3_666
C78 C75 1.24(5) 3_666
C78 C79 1.371(19) .
C78 C76 1.55(4) 3_666
C79 C76 1.14(4) 3_666
C79 C80 1.390(19) .
C80 C76 0.98(4) 3_666
C80 C77 1.20(3) 3_666
C81 C77 1.13(5) 3_666
C81 C78 1.23(6) 3_666
C82 C83 1.07(5) 3_767
C82 C84 1.22(4) 3_767
C82 C82 1.36(7) 3_767
C82 C83 1.382(19) .
C82 C87 1.410(19) .
C82 C88 1.48(2) .
C82 C85 1.53(5) 3_767
C82 C86 1.59(4) 3_767
C82 C87 1.69(6) 3_767
C83 C87 0.37(6) 3_767
C83 C82 1.07(5) 3_767
C83 C84 1.418(19) .
C83 C86 1.44(4) 3_767
C84 C88 0.94(7) 3_767
C84 C82 1.22(4) 3_767
C84 C85 1.420(19) .
C84 C87 1.50(4) 3_767
C85 C88 0.57(8) 3_767
C85 C86 1.347(18) .
C85 C82 1.53(5) 3_767
C86 C87 1.383(19) .
C86 C83 1.44(4) 3_767
C86 C82 1.59(4) 3_767
C86 C88 1.83(7) 3_767
C87 C83 0.37(6) 3_767
C87 C84 1.50(4) 3_767
C87 C82 1.69(6) 3_767
C88 C85 0.57(8) 3_767
C88 C84 0.94(7) 3_767
C88 C86 1.83(7) 3_767
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
O1 Yb1 Yb2 N3 1.5(3) . .
N1 Yb1 Yb2 N3 132.5(3) . .
N2 Yb1 Yb2 N3 -125.6(3) . .
Cl3 Yb1 Yb2 N3 -55.0(3) . .
Cl1 Yb1 Yb2 N3 -177.5(3) . .
Cl2 Yb1 Yb2 N3 64.2(3) . .
O1 Yb1 Yb2 O2 114.9(3) . .
N1 Yb1 Yb2 O2 -114.2(3) . .
N2 Yb1 Yb2 O2 -12.3(3) . .
Cl3 Yb1 Yb2 O2 58.3(2) . .
Cl1 Yb1 Yb2 O2 -64.2(2) . .
Cl2 Yb1 Yb2 O2 177.6(2) . .
O1 Yb1 Yb2 N4 -129.8(3) . .
N1 Yb1 Yb2 N4 1.2(3) . .
N2 Yb1 Yb2 N4 103.0(3) . .
Cl3 Yb1 Yb2 N4 173.7(3) . .
Cl1 Yb1 Yb2 N4 51.2(3) . .
Cl2 Yb1 Yb2 N4 -67.1(3) . .
O1 Yb1 Yb2 Cl2 -62.7(2) . .
N1 Yb1 Yb2 Cl2 68.3(2) . .
N2 Yb1 Yb2 Cl2 170.1(2) . .
Cl3 Yb1 Yb2 Cl2 -119.24(12) . .
Cl1 Yb1 Yb2 Cl2 118.25(12) . .
O1 Yb1 Yb2 Cl1 179.0(2) . .
N1 Yb1 Yb2 Cl1 -50.0(2) . .
N2 Yb1 Yb2 Cl1 51.9(2) . .
Cl3 Yb1 Yb2 Cl1 122.50(11) . .
Cl2 Yb1 Yb2 Cl1 -118.25(12) . .
O1 Yb1 Yb2 Cl3 56.5(2) . .
N1 Yb1 Yb2 Cl3 -172.5(2) . .
N2 Yb1 Yb2 Cl3 -70.6(2) . .
Cl1 Yb1 Yb2 Cl3 -122.50(11) . .
Cl2 Yb1 Yb2 Cl3 119.24(12) . .
N3 Yb2 Cl1 Yb1 132(5) . .
O2 Yb2 Cl1 Yb1 122.19(17) . .
N4 Yb2 Cl1 Yb1 -145.44(17) . .
Cl2 Yb2 Cl1 Yb1 -41.87(7) . .
Cl3 Yb2 Cl1 Yb1 38.41(7) . .
O1 Yb1 Cl1 Yb2 -3.8(9) . .
N1 Yb1 Cl1 Yb2 140.82(19) . .
N2 Yb1 Cl1 Yb2 -137.38(18) . .
Cl3 Yb1 Cl1 Yb2 -37.32(7) . .
Cl2 Yb1 Cl1 Yb2 39.41(7) . .
N3 Yb2 Cl2 Yb1 -138.42(19) . .
O2 Yb2 Cl2 Yb1 -6.1(5) . .
N4 Yb2 Cl2 Yb1 136.58(19) . .
Cl1 Yb2 Cl2 Yb1 41.33(7) . .
Cl3 Yb2 Cl2 Yb1 -40.16(7) . .
O1 Yb1 Cl2 Yb2 131.95(18) . .
N1 Yb1 Cl2 Yb2 -128.58(18) . .
N2 Yb1 Cl2 Yb2 -29.1(6) . .
Cl3 Yb1 Cl2 Yb2 39.24(7) . .
Cl1 Yb1 Cl2 Yb2 -39.79(7) . .
N3 Yb2 Cl3 Yb1 143.3(2) . .
O2 Yb2 Cl3 Yb1 -126.49(18) . .
N4 Yb2 Cl3 Yb1 -95(2) . .
Cl2 Yb2 Cl3 Yb1 41.42(8) . .
Cl1 Yb2 Cl3 Yb1 -39.09(7) . .
O1 Yb1 Cl3 Yb2 -136.09(17) . .
N1 Yb1 Cl3 Yb2 28.9(9) . .
N2 Yb1 Cl3 Yb2 124.56(18) . .
Cl1 Yb1 Cl3 Yb2 37.30(7) . .
Cl2 Yb1 Cl3 Yb2 -38.86(7) . .
N1 Yb1 O1 C59 -154(11) . .
N2 Yb1 O1 C59 123(11) . .
Cl3 Yb1 O1 C59 22(11) . .
Cl1 Yb1 O1 C59 -10(11) . .
Cl2 Yb1 O1 C59 -51(11) . .
Yb2 Yb1 O1 C59 -13(11) . .
N3 Yb2 O2 C71 -39.8(8) . .
N4 Yb2 O2 C71 42.1(8) . .
Cl2 Yb2 O2 C71 -173.8(6) . .
Cl1 Yb2 O2 C71 139.8(8) . .
Cl3 Yb2 O2 C71 -140.3(8) . .
Yb1 Yb2 O2 C71 -178.7(7) . .
N3 Yb2 O2 C74 138.0(9) . .
N4 Yb2 O2 C74 -140.1(9) . .
Cl2 Yb2 O2 C74 4.0(12) . .
Cl1 Yb2 O2 C74 -42.4(9) . .
Cl3 Yb2 O2 C74 37.5(9) . .
Yb1 Yb2 O2 C74 -0.9(9) . .
O1 Yb1 N1 C2 -65.7(7) . .
N2 Yb1 N1 C2 31.7(7) . .
Cl3 Yb1 N1 C2 129.4(8) . .
Cl1 Yb1 N1 C2 121.3(7) . .
Cl2 Yb1 N1 C2 -165.8(6) . .
Yb2 Yb1 N1 C2 153.4(6) . .
O1 Yb1 N1 C6 106.2(6) . .
N2 Yb1 N1 C6 -156.5(6) . .
Cl3 Yb1 N1 C6 -58.8(12) . .
Cl1 Yb1 N1 C6 -66.9(6) . .
Cl2 Yb1 N1 C6 6.0(6) . .
Yb2 Yb1 N1 C6 -34.8(7) . .
O1 Yb1 N2 C4 62.4(7) . .
N1 Yb1 N2 C4 -34.0(7) . .
Cl3 Yb1 N2 C4 158.9(6) . .
Cl1 Yb1 N2 C4 -126.4(7) . .
Cl2 Yb1 N2 C4 -136.5(6) . .
Yb2 Yb1 N2 C4 -159.4(6) . .
O1 Yb1 N2 C18 -108.6(6) . .
N1 Yb1 N2 C18 155.0(7) . .
Cl3 Yb1 N2 C18 -12.0(6) . .
Cl1 Yb1 N2 C18 62.7(6) . .
Cl2 Yb1 N2 C18 52.5(10) . .
Yb2 Yb1 N2 C18 29.6(7) . .
O2 Yb2 N3 C31 64.9(7) . .
N4 Yb2 N3 C31 -27.8(7) . .
Cl2 Yb2 N3 C31 -131.1(7) . .
Cl1 Yb2 N3 C31 55(5) . .
Cl3 Yb2 N3 C31 148.2(7) . .
Yb1 Yb2 N3 C31 -174.6(6) . .
O2 Yb2 N3 C35 -114.8(7) . .
N4 Yb2 N3 C35 152.5(7) . .
Cl2 Yb2 N3 C35 49.2(7) . .
Cl1 Yb2 N3 C35 -125(4) . .
Cl3 Yb2 N3 C35 -31.5(7) . .
Yb1 Yb2 N3 C35 5.7(8) . .
N3 Yb2 N4 C33 23.2(7) . .
O2 Yb2 N4 C33 -67.8(7) . .
Cl2 Yb2 N4 C33 125.2(7) . .
Cl1 Yb2 N4 C33 -154.4(7) . .
Cl3 Yb2 N4 C33 -99(2) . .
Yb1 Yb2 N4 C33 170.3(6) . .
N3 Yb2 N4 C47 -157.5(7) . .
O2 Yb2 N4 C47 111.5(6) . .
Cl2 Yb2 N4 C47 -55.5(6) . .
Cl1 Yb2 N4 C47 24.9(6) . .
Cl3 Yb2 N4 C47 80(2) . .
Yb1 Yb2 N4 C47 -10.4(7) . .
C6 N1 C2 C3 169.4(9) . .
Yb1 N1 C2 C3 -18.6(12) . .
C6 N1 C2 C1 -12.7(12) . .
Yb1 N1 C2 C1 159.4(7) . .
N1 C2 C3 C4 -10.4(16) . .
C1 C2 C3 C4 171.6(9) . .
C18 N2 C4 C3 -166.0(8) . .
Yb1 N2 C4 C3 23.0(12) . .
C18 N2 C4 C5 15.3(12) . .
Yb1 N2 C4 C5 -155.7(7) . .
C2 C3 C4 N2 7.8(15) . .
C2 C3 C4 C5 -173.5(9) . .
C2 N1 C6 C11 -87.9(10) . .
Yb1 N1 C6 C11 99.7(8) . .
C2 N1 C6 C7 95.0(10) . .
Yb1 N1 C6 C7 -77.4(9) . .
C11 C6 C7 C8 -0.3(14) . .
N1 C6 C7 C8 176.8(9) . .
C11 C6 C7 C12 175.8(9) . .
N1 C6 C7 C12 -7.1(14) . .
C6 C7 C8 C9 -1.2(17) . .
C12 C7 C8 C9 -177.4(11) . .
C7 C8 C9 C10 2(2) . .
C8 C9 C10 C11 -1.1(19) . .
C7 C6 C11 C10 1.0(14) . .
N1 C6 C11 C10 -176.1(8) . .
C7 C6 C11 C15 -177.3(9) . .
N1 C6 C11 C15 5.6(13) . .
C9 C10 C11 C6 -0.3(16) . .
C9 C10 C11 C15 178.0(10) . .
C8 C7 C12 C13 -60.2(14) . .
C6 C7 C12 C13 123.8(11) . .
C8 C7 C12 C14 61.8(14) . .
C6 C7 C12 C14 -114.2(11) . .
C6 C11 C15 C16 -140.5(10) . .
C10 C11 C15 C16 41.2(13) . .
C6 C11 C15 C17 95.1(12) . .
C10 C11 C15 C17 -83.2(12) . .
C4 N2 C18 C19 84.7(10) . .
Yb1 N2 C18 C19 -103.8(8) . .
C4 N2 C18 C23 -96.3(10) . .
Yb1 N2 C18 C23 75.2(10) . .
C23 C18 C19 C20 -4.5(14) . .
N2 C18 C19 C20 174.4(8) . .
C23 C18 C19 C24 173.2(10) . .
N2 C18 C19 C24 -7.8(14) . .
C18 C19 C20 C21 1.0(17) . .
C24 C19 C20 C21 -176.9(12) . .
C19 C20 C21 C22 1(2) . .
C20 C21 C22 C23 0(2) . .
C21 C22 C23 C18 -3.6(17) . .
C21 C22 C23 C27 172.7(12) . .
C19 C18 C23 C22 5.8(15) . .
N2 C18 C23 C22 -173.1(9) . .
C19 C18 C23 C27 -170.4(10) . .
N2 C18 C23 C27 10.7(14) . .
C20 C19 C24 C25 -43.8(14) . .
C18 C19 C24 C25 138.6(10) . .
C20 C19 C24 C26 79.9(13) . .
C18 C19 C24 C26 -97.8(12) . .
C22 C23 C27 C28 55.3(15) . .
C18 C23 C27 C28 -128.6(11) . .
C22 C23 C27 C29 -63.9(14) . .
C18 C23 C27 C29 112.1(12) . .
C35 N3 C31 C32 -161.5(10) . .
Yb2 N3 C31 C32 18.8(14) . .
C35 N3 C31 C30 15.2(13) . .
Yb2 N3 C31 C30 -164.5(7) . .
N3 C31 C32 C33 10.7(18) . .
C30 C31 C32 C33 -166.2(10) . .
C47 N4 C33 C32 172.2(9) . .
Yb2 N4 C33 C32 -8.4(13) . .
C47 N4 C33 C34 -5.2(13) . .
Yb2 N4 C33 C34 174.1(7) . .
C31 C32 C33 N4 -16.7(17) . .
C31 C32 C33 C34 160.9(11) . .
C31 N3 C35 C40 -95.1(10) . .
Yb2 N3 C35 C40 84.6(9) . .
C31 N3 C35 C36 82.4(10) . .
Yb2 N3 C35 C36 -97.9(8) . .
C40 C35 C36 C37 3.9(14) . .
N3 C35 C36 C37 -173.5(9) . .
C40 C35 C36 C41 -178.8(9) . .
N3 C35 C36 C41 3.8(14) . .
C35 C36 C37 C38 -1.4(16) . .
C41 C36 C37 C38 -178.8(10) . .
C36 C37 C38 C39 -1.4(18) . .
C37 C38 C39 C40 1.9(17) . .
C38 C39 C40 C35 0.5(15) . .
C38 C39 C40 C44 -180.0(10) . .
C36 C35 C40 C39 -3.5(13) . .
N3 C35 C40 C39 173.9(8) . .
C36 C35 C40 C44 177.0(9) . .
N3 C35 C40 C44 -5.7(13) . .
C37 C36 C41 C43 -52.5(14) . .
C35 C36 C41 C43 130.3(11) . .
C37 C36 C41 C42 72.1(14) . .
C35 C36 C41 C42 -105.2(12) . .
C39 C40 C44 C45 44.6(13) . .
C35 C40 C44 C45 -135.9(10) . .
C39 C40 C44 C46 -79.2(12) . .
C35 C40 C44 C46 100.3(11) . .
C33 N4 C47 C52 -89.8(10) . .
Yb2 N4 C47 C52 90.8(9) . .
C33 N4 C47 C48 87.6(10) . .
Yb2 N4 C47 C48 -91.8(8) . .
C52 C47 C48 C49 2.0(14) . .
N4 C47 C48 C49 -175.3(8) . .
C52 C47 C48 C53 -178.7(9) . .
N4 C47 C48 C53 4.0(14) . .
C47 C48 C49 C50 -1.3(15) . .
C53 C48 C49 C50 179.3(11) . .
C48 C49 C50 C51 -1.5(18) . .
C49 C50 C51 C52 3.8(19) . .
C50 C51 C52 C47 -3.1(16) . .
C50 C51 C52 C56 178.0(10) . .
C48 C47 C52 C51 0.2(14) . .
N4 C47 C52 C51 177.5(8) . .
C48 C47 C52 C56 179.1(9) . .
N4 C47 C52 C56 -3.6(13) . .
C49 C48 C53 C54 -46.9(13) . .
C47 C48 C53 C54 133.8(11) . .
C49 C48 C53 C55 79.1(14) . .
C47 C48 C53 C55 -100.2(13) . .
C51 C52 C56 C58 -80.5(13) . .
C47 C52 C56 C58 100.6(11) . .
C51 C52 C56 C57 43.4(13) . .
C47 C52 C56 C57 -135.5(10) . .
Yb1 O1 C59 C60 -159(10) . .
Yb1 O1 C59 C64 19(11) . .
O1 C59 C60 C61 178.4(9) . .
C64 C59 C60 C61 0.9(15) . .
O1 C59 C60 C65 -1.1(15) . .
C64 C59 C60 C65 -178.6(9) . .
C59 C60 C61 C62 0.6(18) . .
C65 C60 C61 C62 -180.0(11) . .
C60 C61 C62 C63 -1(2) . .
C61 C62 C63 C64 -1(2) . .
C62 C63 C64 C59 2.0(18) . .
C62 C63 C64 C68 -177.0(12) . .
O1 C59 C64 C63 -179.7(10) . .
C60 C59 C64 C63 -2.1(16) . .
O1 C59 C64 C68 -0.7(16) . .
C60 C59 C64 C68 176.8(10) . .
C61 C60 C65 C66 -55.7(14) . .
C59 C60 C65 C66 123.7(11) . .
C61 C60 C65 C67 68.2(13) . .
C59 C60 C65 C67 -112.3(11) . .
C63 C64 C68 C70 -55.2(16) . .
C59 C64 C68 C70 125.8(11) . .
C63 C64 C68 C69 66.1(15) . .
C59 C64 C68 C69 -112.9(12) . .
C74 O2 C71 C72 19.5(13) . .
Yb2 O2 C71 C72 -162.4(9) . .
O2 C71 C72 C73 -25.5(16) . .
C71 C72 C73 C74 22.5(19) . .
C72 C73 C74 O2 -11(2) . .
C71 O2 C74 C73 -5.1(15) . .
Yb2 O2 C74 C73 176.8(10) . .
C77 C75 C76 C80 -178(33) 3_666 3_666
C76 C75 C76 C80 -32(21) 3_666 3_666
C78 C75 C76 C80 149(21) 3_666 3_666
C80 C75 C76 C80 -39(25) . 3_666
C81 C75 C76 C80 155(19) . 3_666
C75 C75 C76 C80 -32(21) 3_666 3_666
C77 C75 C76 C79 34(37) 3_666 3_666
C76 C75 C76 C79 180(5) 3_666 3_666
C78 C75 C76 C79 1(4) 3_666 3_666
C80 C75 C76 C79 174(5) . 3_666
C81 C75 C76 C79 7(6) . 3_666
C75 C75 C76 C79 180(5) 3_666 3_666
C77 C75 C76 C75 -146(39) 3_666 3_666
C76 C75 C76 C75 0.000(5) 3_666 3_666
C78 C75 C76 C75 -179(6) 3_666 3_666
C80 C75 C76 C75 -6(4) . 3_666
C81 C75 C76 C75 -172(7) . 3_666
C77 C75 C76 C77 -150(33) 3_666 .
C76 C75 C76 C77 -4(6) 3_666 .
C78 C75 C76 C77 177(4) 3_666 .
C80 C75 C76 C77 -11(9) . .
C81 C75 C76 C77 -177(4) . .
C75 C75 C76 C77 -4(6) 3_666 .
C77 C75 C76 C78 33(35) 3_666 3_666
C76 C75 C76 C78 179(6) 3_666 3_666
C80 C75 C76 C78 173(8) . 3_666
C81 C75 C76 C78 7(4) . 3_666
C75 C75 C76 C78 179(6) 3_666 3_666
C77 C75 C76 C76 -146(39) 3_666 3_666
C78 C75 C76 C76 -179(6) 3_666 3_666
C80 C75 C76 C76 -6(4) . 3_666
C81 C75 C76 C76 -172(7) . 3_666
C75 C75 C76 C76 0.000(4) 3_666 3_666
C76 C75 C76 C77 146(39) 3_666 3_666
C78 C75 C76 C77 -33(35) 3_666 3_666
C80 C75 C76 C77 139(41) . 3_666
C81 C75 C76 C77 -27(34) . 3_666
C75 C75 C76 C77 146(39) 3_666 3_666
C80 C76 C77 C75 -176(13) 3_666 3_666
C79 C76 C77 C75 -176(10) 3_666 3_666
C75 C76 C77 C75 10(13) . 3_666
C78 C76 C77 C75 19(18) 3_666 3_666
C76 C76 C77 C75 7(10) 3_666 3_666
C77 C76 C77 C75 7(10) 3_666 3_666
C80 C76 C77 C81 179(100) 3_666 3_666
C79 C76 C77 C81 179(100) 3_666 3_666
C75 C76 C77 C81 -5(35) 3_666 3_666
C75 C76 C77 C81 5(45) . 3_666
C78 C76 C77 C81 14(50) 3_666 3_666
C76 C76 C77 C81 2(42) 3_666 3_666
C77 C76 C77 C81 2(42) 3_666 3_666
C79 C76 C77 C80 1(6) 3_666 3_666
C75 C76 C77 C80 176(13) 3_666 3_666
C75 C76 C77 C80 -173(5) . 3_666
C78 C76 C77 C80 -165(12) 3_666 3_666
C76 C76 C77 C80 -176(5) 3_666 3_666
C77 C76 C77 C80 -176(5) 3_666 3_666
C80 C76 C77 C78 -180(6) 3_666 .
C79 C76 C77 C78 -179(5) 3_666 .
C75 C76 C77 C78 -3(8) 3_666 .
C75 C76 C77 C78 7(7) . .
C78 C76 C77 C78 15(14) 3_666 .
C76 C76 C77 C78 4(4) 3_666 .
C77 C76 C77 C78 4(4) 3_666 .
C80 C76 C77 C76 176(5) 3_666 3_666
C79 C76 C77 C76 177(6) 3_666 3_666
C75 C76 C77 C76 -7(10) 3_666 3_666
C75 C76 C77 C76 3(4) . 3_666
C78 C76 C77 C76 11(10) 3_666 3_666
C77 C76 C77 C76 0.000(3) 3_666 3_666
C75 C77 C78 C81 177(13) 3_666 3_666
C80 C77 C78 C81 180(100) 3_666 3_666
C76 C77 C78 C81 -180(8) . 3_666
C76 C77 C78 C81 -175(6) 3_666 3_666
C81 C77 C78 C75 -177(13) 3_666 3_666
C80 C77 C78 C75 3(9) 3_666 3_666
C76 C77 C78 C75 3(7) . 3_666
C76 C77 C78 C75 8(10) 3_666 3_666
C75 C77 C78 C79 -10(11) 3_666 .
C81 C77 C78 C79 172(6) 3_666 .
C80 C77 C78 C79 -8(17) 3_666 .
C76 C77 C78 C79 -7(7) . .
C76 C77 C78 C79 -3(4) 3_666 .
C75 C77 C78 C76 -8(10) 3_666 3_666
C81 C77 C78 C76 175(6) 3_666 3_666
C80 C77 C78 C76 -5(14) 3_666 3_666
C76 C77 C78 C76 -5(4) . 3_666
C81 C78 C79 C76 73(45) 3_666 3_666
C75 C78 C79 C76 -1(4) 3_666 3_666
C77 C78 C79 C76 4(5) . 3_666
C81 C78 C79 C80 77(46) 3_666 .
C75 C78 C79 C80 4(6) 3_666 .
C77 C78 C79 C80 8(6) . .
C76 C78 C79 C80 4(3) 3_666 .
C78 C79 C80 C76 -6(4) . 3_666
C76 C79 C80 C77 -1(6) 3_666 3_666
C78 C79 C80 C77 -7(8) . 3_666
C76 C79 C80 C75 -2(4) 3_666 .
C78 C79 C80 C75 -8(5) . .
C77 C75 C80 C76 176(12) 3_666 3_666
C78 C75 C80 C76 174(13) 3_666 3_666
C76 C75 C80 C76 9(6) . 3_666
C81 C75 C80 C76 178(5) . 3_666
C75 C75 C80 C76 5(4) 3_666 3_666
C76 C75 C80 C77 -176(12) 3_666 3_666
C78 C75 C80 C77 -2(8) 3_666 3_666
C76 C75 C80 C77 -167(15) . 3_666
C81 C75 C80 C77 1(9) . 3_666
C75 C75 C80 C77 -171(14) 3_666 3_666
C77 C75 C80 C79 178(10) 3_666 .
C76 C75 C80 C79 2(4) 3_666 .
C78 C75 C80 C79 176(10) 3_666 .
C76 C75 C80 C79 11(7) . .
C81 C75 C80 C79 179(3) . .
C75 C75 C80 C79 7(5) 3_666 .
C76 C75 C81 C77 1(10) 3_666 3_666
C78 C75 C81 C77 177(16) 3_666 3_666
C76 C75 C81 C77 169(16) . 3_666
C80 C75 C81 C77 -1(12) . 3_666
C75 C75 C81 C77 151(29) 3_666 3_666
C77 C75 C81 C78 -177(16) 3_666 3_666
C76 C75 C81 C78 -175(10) 3_666 3_666
C76 C75 C81 C78 -8(5) . 3_666
C80 C75 C81 C78 -178(6) . 3_666
C75 C75 C81 C78 -26(18) 3_666 3_666
C83 C82 C83 C87 -174(31) 3_767 3_767
C84 C82 C83 C87 -4(43) 3_767 3_767
C82 C82 C83 C87 -174(31) 3_767 3_767
C87 C82 C83 C87 -175(26) . 3_767
C88 C82 C83 C87 3(31) . 3_767
C85 C82 C83 C87 2(30) 3_767 3_767
C86 C82 C83 C87 1(28) 3_767 3_767
C83 C82 C83 C82 0.00(2) 3_767 3_767
C84 C82 C83 C82 170(24) 3_767 3_767
C87 C82 C83 C82 -1(6) . 3_767
C88 C82 C83 C82 177(7) . 3_767
C85 C82 C83 C82 176(5) 3_767 3_767
C86 C82 C83 C82 175(5) 3_767 3_767
C87 C82 C83 C82 174(31) 3_767 3_767
C83 C82 C83 C84 2(4) 3_767 .
C84 C82 C83 C84 172(19) 3_767 .
C82 C82 C83 C84 2(4) 3_767 .
C87 C82 C83 C84 1(8) . .
C88 C82 C83 C84 179(6) . .
C85 C82 C83 C84 178(4) 3_767 .
C86 C82 C83 C84 177(5) 3_767 .
C87 C82 C83 C84 176(33) 3_767 .
C83 C82 C83 C86 -175(5) 3_767 3_767
C84 C82 C83 C86 -5(22) 3_767 3_767
C82 C82 C83 C86 -175(5) 3_767 3_767
C87 C82 C83 C86 -176(4) . 3_767
C88 C82 C83 C86 2(5) . 3_767
C85 C82 C83 C86 1(3) 3_767 3_767
C87 C82 C83 C86 -1(28) 3_767 3_767
C87 C83 C84 C88 176(18) 3_767 3_767
C82 C83 C84 C88 1(10) 3_767 3_767
C82 C83 C84 C88 -1(12) . 3_767
C86 C83 C84 C88 164(19) 3_767 3_767
C87 C83 C84 C82 176(19) 3_767 3_767
C82 C83 C84 C82 -2(5) . 3_767
C86 C83 C84 C82 164(23) 3_767 3_767
C87 C83 C84 C85 179(16) 3_767 .
C82 C83 C84 C85 3(4) 3_767 .
C82 C83 C84 C85 1(6) . .
C86 C83 C84 C85 167(20) 3_767 .
C82 C83 C84 C87 -176(19) 3_767 3_767
C82 C83 C84 C87 -178(20) . 3_767
C86 C83 C84 C87 -12(13) 3_767 3_767
C82 C84 C85 C88 -171(26) 3_767 3_767
C83 C84 C85 C88 -174(25) . 3_767
C87 C84 C85 C88 -173(25) 3_767 3_767
C88 C84 C85 C86 173(27) 3_767 .
C82 C84 C85 C86 2(4) 3_767 .
C83 C84 C85 C86 0(5) . .
C87 C84 C85 C86 0(6) 3_767 .
C88 C84 C85 C82 171(26) 3_767 3_767
C83 C84 C85 C82 -2(3) . 3_767
C87 C84 C85 C82 -2(4) 3_767 3_767
C88 C85 C86 C87 2(23) 3_767 .
C84 C85 C86 C87 -3(7) . .
C82 C85 C86 C87 -1(5) 3_767 .
C88 C85 C86 C83 2(22) 3_767 3_767
C84 C85 C86 C83 -3(5) . 3_767
C82 C85 C86 C83 -1(3) 3_767 3_767
C88 C85 C86 C82 3(20) 3_767 3_767
C84 C85 C86 C82 -2(3) . 3_767
C84 C85 C86 C88 -5(19) . 3_767
C82 C85 C86 C88 -3(20) 3_767 3_767
C85 C86 C87 C83 1(20) . 3_767
C82 C86 C87 C83 0(16) 3_767 3_767
C88 C86 C87 C83 1(19) 3_767 3_767
C85 C86 C87 C82 4(8) . .
C83 C86 C87 C82 4(13) 3_767 .
C82 C86 C87 C82 3(4) 3_767 .
C88 C86 C87 C82 5(7) 3_767 .
C85 C86 C87 C84 8(21) . 3_767
C83 C86 C87 C84 7(7) 3_767 3_767
C82 C86 C87 C84 7(17) 3_767 3_767
C88 C86 C87 C84 8(19) 3_767 3_767
C85 C86 C87 C82 1(5) . 3_767
C83 C86 C87 C82 0(16) 3_767 3_767
C88 C86 C87 C82 1(4) 3_767 3_767
C84 C82 C87 C83 -170(42) 3_767 3_767
C82 C82 C87 C83 7(39) 3_767 3_767
C83 C82 C87 C83 8(44) . 3_767
C88 C82 C87 C83 -171(40) . 3_767
C85 C82 C87 C83 -168(39) 3_767 3_767
C86 C82 C87 C83 -60(72) 3_767 3_767
C87 C82 C87 C83 7(39) 3_767 3_767
C83 C82 C87 C86 -11(37) 3_767 .
C84 C82 C87 C86 179(6) 3_767 .
C82 C82 C87 C86 -4(5) 3_767 .
C83 C82 C87 C86 -3(8) . .
C88 C82 C87 C86 178(5) . .
C85 C82 C87 C86 -179(4) 3_767 .
C86 C82 C87 C86 -72(54) 3_767 .
C87 C82 C87 C86 -4(5) 3_767 .
C83 C82 C87 C84 170(42) 3_767 3_767
C82 C82 C87 C84 177(5) 3_767 3_767
C83 C82 C87 C84 178(5) . 3_767
C88 C82 C87 C84 0(5) . 3_767
C85 C82 C87 C84 2(4) 3_767 3_767
C86 C82 C87 C84 110(53) 3_767 3_767
C87 C82 C87 C84 177(5) 3_767 3_767
C83 C82 C87 C82 -7(40) 3_767 3_767
C84 C82 C87 C82 -177(5) 3_767 3_767
C83 C82 C87 C82 1(4) . 3_767
C88 C82 C87 C82 -178(6) . 3_767
C85 C82 C87 C82 -176(6) 3_767 3_767
C86 C82 C87 C82 -68(52) 3_767 3_767
C87 C82 C87 C82 0.000(13) 3_767 3_767
C83 C82 C88 C85 174(11) 3_767 3_767
C84 C82 C88 C85 174(16) 3_767 3_767
C82 C82 C88 C85 25(82) 3_767 3_767
C83 C82 C88 C85 -3(14) . 3_767
C87 C82 C88 C85 175(11) . 3_767
C86 C82 C88 C85 -2(11) 3_767 3_767
C87 C82 C88 C85 -3(14) 3_767 3_767
C83 C82 C88 C84 -1(8) 3_767 3_767
C82 C82 C88 C84 -149(75) 3_767 3_767
C83 C82 C88 C84 -178(6) . 3_767
C87 C82 C88 C84 1(7) . 3_767
C85 C82 C88 C84 -174(16) 3_767 3_767
C86 C82 C88 C84 -176(7) 3_767 3_767
C87 C82 C88 C84 -177(6) 3_767 3_767
C83 C82 C88 C86 175(5) 3_767 3_767
C84 C82 C88 C86 176(7) 3_767 3_767
C82 C82 C88 C86 27(76) 3_767 3_767
C83 C82 C88 C86 -2(5) . 3_767
C87 C82 C88 C86 177(4) . 3_767
C85 C82 C88 C86 2(11) 3_767 3_767
C87 C82 C88 C86 -1(4) 3_767 3_767
