#------------------------------------------------------------------------------
#$Date: 2016-03-26 03:01:50 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180165 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/61/7106103.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_7106103
loop_
_publ_author_name
'Zhu Du'
'Hui Zhou'
'Haisheng Yao'
'Yong Zhang'
'Yingming Yao'
'Qi Shen'
_publ_section_title
;
 The First Bridged Lanthanide Carbene Complex Formed through Reduction of
 Carbodiimide by amine Bis(phenolate )Ytterbium(II) Complex and Its
 Reactivity to Phenylisocyanate
;
_journal_name_full               Chem.Commun.
_journal_page_first              3595
_journal_paper_doi               10.1039/c0cc04504g
_journal_volume                  47
_journal_year                    2011
_chemical_formula_moiety         'C75 H122 N6 O4 Yb2, 2(C7 H8)'
_chemical_formula_sum            'C89 H138 N6 O4 Yb2'
_chemical_formula_weight         1702.13
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 133.018(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   39.054(4)
_cell_length_b                   10.6105(7)
_cell_length_c                   28.611(3)
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      25.3491
_cell_measurement_theta_min      3.0539
_cell_volume                     8668.3(14)
_computing_cell_refinement       'CrystalClear, Ver. 1.30 (Rigaku/MSC, 2001)'
_computing_data_collection       'CrystalClear, Ver. 1.30 (Rigaku/MSC, 2001)'
_computing_data_reduction
'CrystalStructure, Ver. 3.60 (Rigaku/MSC, 2004)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku MercuryCCD area detector'
_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  0.0377
_diffrn_reflns_av_sigmaI/netI    0.0296
_diffrn_reflns_limit_h_max       46
_diffrn_reflns_limit_h_min       -46
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            41975
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.10
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.195
_exptl_absorpt_correction_T_max  0.7003
_exptl_absorpt_correction_T_min  0.5326
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'Jacobson, R. (1998) Private communication to Rigaku Company, Tokyo, Japan.'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.304
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3544
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.430
_refine_diff_density_min         -0.591
_refine_diff_density_rms         0.081
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.137
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     474
_refine_ls_number_reflns         7928
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.178
_refine_ls_R_factor_all          0.0361
_refine_ls_R_factor_gt           0.0307
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0182P)²+28.0732P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0611
_refine_ls_wR_factor_ref         0.0634
_reflns_number_gt                7204
_reflns_number_total             7928
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0cc04504g.txt
_cod_data_source_block           Complex2
_cod_original_cell_volume        8668.1(15)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7106103
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Yb1 Yb 0.508768(5) 0.600865(13) 0.315600(7) 0.01747(5) Uani 1 1 d . . .
O1 O 0.45178(7) 0.6823(2) 0.21488(10) 0.0194(5) Uani 1 1 d . . .
O2 O 0.56336(8) 0.5915(2) 0.41892(10) 0.0225(5) Uani 1 1 d . . .
N1 N 0.50229(9) 0.8124(3) 0.34638(13) 0.0192(6) Uani 1 1 d . . .
N2 N 0.44723(10) 0.5997(3) 0.32616(14) 0.0250(7) Uani 1 1 d . . .
N3 N 0.50149(10) 0.3942(3) 0.29472(13) 0.0205(6) Uani 1 1 d . . .
C1 C 0.41986(11) 0.7745(3) 0.19465(16) 0.0198(7) Uani 1 1 d . . .
C2 C 0.37149(11) 0.7630(3) 0.14014(16) 0.0198(7) Uani 1 1 d . . .
C3 C 0.34378(12) 0.8700(3) 0.12224(17) 0.0257(8) Uani 1 1 d . . .
H3 H 0.3115 0.8643 0.0843 0.031 Uiso 1 1 calc R . .
C4 C 0.35926(12) 0.9832(3) 0.15502(16) 0.0238(8) Uani 1 1 d . . .
C5 C 0.40612(12) 0.9871(3) 0.21118(16) 0.0222(7) Uani 1 1 d . . .
H5 H 0.4181 1.0611 0.2367 0.027 Uiso 1 1 calc R . .
C6 C 0.43624(11) 0.8863(3) 0.23135(15) 0.0193(7) Uani 1 1 d . . .
C7 C 0.58094(12) 0.6575(3) 0.47104(16) 0.0236(8) Uani 1 1 d . . .
C8 C 0.60639(12) 0.6036(3) 0.53268(17) 0.0261(8) Uani 1 1 d . . .
C9 C 0.61883(13) 0.6826(4) 0.58105(17) 0.0302(9) Uani 1 1 d . . .
H9 H 0.6347 0.6457 0.6216 0.036 Uiso 1 1 calc R . .
C10 C 0.60975(13) 0.8119(4) 0.57467(17) 0.0279(8) Uani 1 1 d . . .
C11 C 0.58761(12) 0.8627(4) 0.51558(16) 0.0260(8) Uani 1 1 d . . .
H11 H 0.5816 0.9507 0.5093 0.031 Uiso 1 1 calc R . .
C12 C 0.57374(12) 0.7888(3) 0.46486(16) 0.0231(8) Uani 1 1 d . . .
C13 C 0.48629(11) 0.9000(3) 0.29392(15) 0.0208(7) Uani 1 1 d . . .
H13A H 0.5069 0.8882 0.2856 0.025 Uiso 1 1 calc R . .
H13B H 0.4908 0.9874 0.3093 0.025 Uiso 1 1 calc R . .
C14 C 0.55166(12) 0.8511(3) 0.40273(16) 0.0225(8) Uani 1 1 d . . .
H14A H 0.5522 0.9434 0.4082 0.027 Uiso 1 1 calc R . .
H14B H 0.5711 0.8328 0.3930 0.027 Uiso 1 1 calc R . .
C15 C 0.47243(12) 0.8216(3) 0.36071(17) 0.0252(8) Uani 1 1 d . . .
H15A H 0.4604 0.9088 0.3524 0.030 Uiso 1 1 calc R . .
H15B H 0.4915 0.8032 0.4065 0.030 Uiso 1 1 calc R . .
C16 C 0.43166(13) 0.7308(3) 0.32059(18) 0.0270(8) Uani 1 1 d . . .
H16A H 0.4143 0.7338 0.3344 0.032 Uiso 1 1 calc R . .
H16B H 0.4100 0.7574 0.2753 0.032 Uiso 1 1 calc R . .
C17 C 0.40557(14) 0.5241(4) 0.2760(2) 0.0369(10) Uani 1 1 d . . .
H17A H 0.3845 0.5219 0.2834 0.055 Uiso 1 1 calc R . .
H17B H 0.4152 0.4381 0.2769 0.055 Uiso 1 1 calc R . .
H17C H 0.3893 0.5619 0.2341 0.055 Uiso 1 1 calc R . .
C18 C 0.46815(15) 0.5477(4) 0.38875(19) 0.0357(9) Uani 1 1 d . . .
H18A H 0.4458 0.5562 0.3938 0.054 Uiso 1 1 calc R . .
H18B H 0.4969 0.5941 0.4230 0.054 Uiso 1 1 calc R . .
H18C H 0.4756 0.4585 0.3910 0.054 Uiso 1 1 calc R . .
C19 C 0.34514(12) 0.6453(3) 0.09742(16) 0.0239(8) Uani 1 1 d . . .
C20 C 0.30470(13) 0.6141(4) 0.0937(2) 0.0345(9) Uani 1 1 d . . .
H20A H 0.2872 0.5414 0.0655 0.052 Uiso 1 1 calc R . .
H20B H 0.2837 0.6868 0.0766 0.052 Uiso 1 1 calc R . .
H20C H 0.3175 0.5941 0.1365 0.052 Uiso 1 1 calc R . .
C21 C 0.37403(13) 0.5244(3) 0.11882(17) 0.0261(8) Uani 1 1 d . . .
H21A H 0.3970 0.5357 0.1151 0.039 Uiso 1 1 calc R . .
H21B H 0.3532 0.4541 0.0916 0.039 Uiso 1 1 calc R . .
H21C H 0.3904 0.5061 0.1634 0.039 Uiso 1 1 calc R . .
C22 C 0.32411(13) 0.6767(4) 0.02968(17) 0.0314(9) Uani 1 1 d . . .
H22A H 0.3494 0.6951 0.0311 0.047 Uiso 1 1 calc R . .
H22B H 0.3036 0.7505 0.0134 0.047 Uiso 1 1 calc R . .
H22C H 0.3059 0.6047 0.0014 0.047 Uiso 1 1 calc R . .
C23 C 0.32603(13) 1.0965(4) 0.12916(18) 0.0310(9) Uani 1 1 d . . .
C24 C 0.28357(15) 1.0592(4) 0.1191(3) 0.0581(15) Uani 1 1 d . . .
H24A H 0.2940 1.0330 0.1599 0.087 Uiso 1 1 calc R . .
H24B H 0.2671 0.9892 0.0886 0.087 Uiso 1 1 calc R . .
H24C H 0.2624 1.1315 0.1022 0.087 Uiso 1 1 calc R . .
C25 C 0.30994(17) 1.1367(4) 0.0650(2) 0.0549(14) Uani 1 1 d . . .
H25A H 0.2896 1.2107 0.0485 0.082 Uiso 1 1 calc R . .
H25B H 0.2927 1.0674 0.0342 0.082 Uiso 1 1 calc R . .
H25C H 0.3374 1.1575 0.0714 0.082 Uiso 1 1 calc R . .
C26 C 0.34964(13) 1.2097(4) 0.17387(19) 0.0346(9) Uani 1 1 d . . .
H26A H 0.3597 1.1873 0.2149 0.052 Uiso 1 1 calc R . .
H26B H 0.3275 1.2801 0.1547 0.052 Uiso 1 1 calc R . .
H26C H 0.3770 1.2344 0.1808 0.052 Uiso 1 1 calc R . .
C27 C 0.62003(14) 0.4628(4) 0.54644(18) 0.0313(9) Uani 1 1 d . . .
C28 C 0.65016(16) 0.4280(4) 0.61699(19) 0.0441(11) Uani 1 1 d . . .
H28A H 0.6327 0.4458 0.6295 0.066 Uiso 1 1 calc R . .
H28B H 0.6790 0.4779 0.6435 0.066 Uiso 1 1 calc R . .
H28C H 0.6580 0.3382 0.6230 0.066 Uiso 1 1 calc R . .
C29 C 0.64847(17) 0.4301(4) 0.5292(2) 0.0486(12) Uani 1 1 d . . .
H29A H 0.6551 0.3395 0.5350 0.073 Uiso 1 1 calc R . .
H29B H 0.6780 0.4771 0.5571 0.073 Uiso 1 1 calc R . .
H29C H 0.6305 0.4528 0.4845 0.073 Uiso 1 1 calc R . .
C30 C 0.57626(16) 0.3814(4) 0.5074(2) 0.0457(11) Uani 1 1 d . . .
H30A H 0.5571 0.3975 0.4618 0.069 Uiso 1 1 calc R . .
H30B H 0.5582 0.4019 0.5188 0.069 Uiso 1 1 calc R . .
H30C H 0.5853 0.2923 0.5166 0.069 Uiso 1 1 calc R . .
C31 C 0.62215(15) 0.8899(4) 0.62963(18) 0.0361(9) Uani 1 1 d . . .
C32 C 0.5878(2) 0.8563(6) 0.6362(3) 0.0658(15) Uani 1 1 d . . .
H32A H 0.5949 0.9058 0.6708 0.099 Uiso 1 1 calc R . .
H32B H 0.5904 0.7663 0.6459 0.099 Uiso 1 1 calc R . .
H32C H 0.5558 0.8751 0.5960 0.099 Uiso 1 1 calc R . .
C33 C 0.6184(3) 1.0304(5) 0.6172(3) 0.088(2) Uani 1 1 d . . .
H33A H 0.6263 1.0766 0.6531 0.132 Uiso 1 1 calc R . .
H33B H 0.5864 1.0512 0.5778 0.132 Uiso 1 1 calc R . .
H33C H 0.6402 1.0543 0.6125 0.132 Uiso 1 1 calc R . .
C34 C 0.67151(19) 0.8610(7) 0.6924(2) 0.083(2) Uani 1 1 d . . .
H34A H 0.6939 0.8793 0.6882 0.124 Uiso 1 1 calc R . .
H34B H 0.6737 0.7719 0.7031 0.124 Uiso 1 1 calc R . .
H34C H 0.6788 0.9134 0.7264 0.124 Uiso 1 1 calc R . .
C35 C 0.5000 0.4399(4) 0.2500 0.0188(10) Uani 1 2 d S . .
C36 C 0.50827(12) 0.2571(4) 0.31325(17) 0.0251(8) Uani 1 1 d . . .
H36 H 0.4900 0.2038 0.2739 0.030 Uiso 1 1 calc R . .
C37 C 0.48997(15) 0.2370(3) 0.34526(19) 0.0314(9) Uani 1 1 d . . .
H37A H 0.5057 0.2952 0.3814 0.047 Uiso 1 1 calc R . .
H37B H 0.4962 0.1500 0.3608 0.047 Uiso 1 1 calc R . .
H37C H 0.4562 0.2527 0.3144 0.047 Uiso 1 1 calc R . .
C38 C 0.55956(15) 0.2260(4) 0.3567(2) 0.0396(10) Uani 1 1 d . . .
H38A H 0.5704 0.2470 0.3353 0.059 Uiso 1 1 calc R . .
H38B H 0.5642 0.1358 0.3669 0.059 Uiso 1 1 calc R . .
H38C H 0.5773 0.2749 0.3963 0.059 Uiso 1 1 calc R . .
C39 C 0.7555(2) 0.8669(6) 0.6703(3) 0.0704(16) Uani 1 1 d D . .
C40 C 0.7179(2) 0.8576(7) 0.6075(3) 0.0718(17) Uani 1 1 d D . .
H40 H 0.7043 0.7774 0.5889 0.086 Uiso 1 1 calc R . .
C41 C 0.6994(2) 0.9613(7) 0.5712(3) 0.0792(18) Uani 1 1 d D . .
H41 H 0.6735 0.9520 0.5265 0.095 Uiso 1 1 calc R . .
C42 C 0.7156(3) 1.0788(6) 0.5950(4) 0.0822(19) Uani 1 1 d D . .
H42 H 0.7015 1.1501 0.5676 0.099 Uiso 1 1 calc R . .
C43 C 0.7533(3) 1.0930(7) 0.6602(4) 0.096(2) Uani 1 1 d D . .
H43 H 0.7649 1.1744 0.6785 0.116 Uiso 1 1 calc R . .
C44 C 0.7744(2) 0.9823(9) 0.6994(3) 0.086(2) Uani 1 1 d . . .
H44 H 0.8007 0.9883 0.7441 0.103 Uiso 1 1 calc R . .
C45 C 0.7758(4) 0.7470(9) 0.7088(5) 0.164(5) Uani 1 1 d . . .
H45A H 0.7583 0.6746 0.6804 0.247 Uiso 1 1 calc R . .
H45B H 0.7735 0.7485 0.7409 0.247 Uiso 1 1 calc R . .
H45C H 0.8087 0.7399 0.7303 0.247 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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Yb Yb -0.3850 5.5486 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 Yb1 N3 98.43(9) . . ?
O2 Yb1 O1 160.10(8) . . ?
N3 Yb1 O1 101.32(9) . . ?
O2 Yb1 C35 121.37(8) . . ?
N3 Yb1 C35 33.31(10) . . ?
O1 Yb1 C35 77.62(8) . . ?
O2 Yb1 O1 103.61(8) . 2_655 ?
N3 Yb1 O1 104.65(9) . 2_655 ?
O1 Yb1 O1 73.72(9) . 2_655 ?
C35 Yb1 O1 75.75(8) . 2_655 ?
O2 Yb1 N1 78.55(9) . . ?
N3 Yb1 N1 162.45(9) . . ?
O1 Yb1 N1 81.87(8) . . ?
C35 Yb1 N1 158.62(9) . . ?
O1 Yb1 N1 92.83(8) 2_655 . ?
O2 Yb1 N2 88.20(9) . . ?
N3 Yb1 N2 93.84(9) . . ?
O1 Yb1 N2 88.07(8) . . ?
C35 Yb1 N2 115.95(8) . . ?
O1 Yb1 N2 156.10(8) 2_655 . ?
N1 Yb1 N2 68.90(9) . . ?
O2 Yb1 Yb1 142.52(6) . 2_655 ?
N3 Yb1 Yb1 78.92(7) . 2_655 ?
O1 Yb1 Yb1 45.98(6) . 2_655 ?
C35 Yb1 Yb1 45.77(8) . 2_655 ?
O1 Yb1 Yb1 43.59(5) 2_655 2_655 ?
N1 Yb1 Yb1 114.05(6) . 2_655 ?
N2 Yb1 Yb1 129.19(6) . 2_655 ?
C1 O1 Yb1 128.77(19) . . ?
C1 O1 Yb1 137.25(19) . 2_655 ?
Yb1 O1 Yb1 90.44(7) . 2_655 ?
C7 O2 Yb1 140.9(2) . . ?
C15 N1 C13 111.7(3) . . ?
C15 N1 C14 111.3(3) . . ?
C13 N1 C14 105.1(3) . . ?
C15 N1 Yb1 116.6(2) . . ?
C13 N1 Yb1 106.24(19) . . ?
C14 N1 Yb1 105.14(19) . . ?
C17 N2 C18 107.9(3) . . ?
C17 N2 C16 107.9(3) . . ?
C18 N2 C16 109.1(3) . . ?
C17 N2 Yb1 112.4(2) . . ?
C18 N2 Yb1 110.5(2) . . ?
C16 N2 Yb1 109.0(2) . . ?
C35 N3 C36 124.8(3) . . ?
C35 N3 Yb1 79.3(2) . . ?
C36 N3 Yb1 152.9(2) . . ?
O1 C1 C2 123.6(3) . . ?
O1 C1 C6 117.8(3) . . ?
C2 C1 C6 118.6(3) . . ?
C3 C2 C1 116.8(3) . . ?
C3 C2 C19 115.7(3) . . ?
C1 C2 C19 127.5(3) . . ?
C4 C3 C2 125.7(3) . . ?
C4 C3 H3 117.1 . . ?
C2 C3 H3 117.1 . . ?
C3 C4 C5 115.7(3) . . ?
C3 C4 C23 121.1(3) . . ?
C5 C4 C23 123.2(3) . . ?
C4 C5 C6 122.1(3) . . ?
C4 C5 H5 118.9 . . ?
C6 C5 H5 118.9 . . ?
C5 C6 C1 120.7(3) . . ?
C5 C6 C13 117.6(3) . . ?
C1 C6 C13 121.7(3) . . ?
O2 C7 C12 118.1(3) . . ?
O2 C7 C8 124.3(3) . . ?
C12 C7 C8 117.6(3) . . ?
C9 C8 C7 117.7(3) . . ?
C9 C8 C27 120.2(3) . . ?
C7 C8 C27 122.1(3) . . ?
C8 C9 C10 125.2(3) . . ?
C8 C9 H9 117.4 . . ?
C10 C9 H9 117.4 . . ?
C11 C10 C9 115.8(3) . . ?
C11 C10 C31 122.8(3) . . ?
C9 C10 C31 121.4(3) . . ?
C10 C11 C12 122.0(3) . . ?
C10 C11 H11 119.0 . . ?
C12 C11 H11 119.0 . . ?
C11 C12 C7 121.6(3) . . ?
C11 C12 C14 119.1(3) . . ?
C7 C12 C14 119.3(3) . . ?
N1 C13 C6 116.7(3) . . ?
N1 C13 H13A 108.1 . . ?
C6 C13 H13A 108.1 . . ?
N1 C13 H13B 108.1 . . ?
C6 C13 H13B 108.1 . . ?
H13A C13 H13B 107.3 . . ?
N1 C14 C12 115.6(3) . . ?
N1 C14 H14A 108.4 . . ?
C12 C14 H14A 108.4 . . ?
N1 C14 H14B 108.4 . . ?
C12 C14 H14B 108.4 . . ?
H14A C14 H14B 107.4 . . ?
N1 C15 C16 111.6(3) . . ?
N1 C15 H15A 109.3 . . ?
C16 C15 H15A 109.3 . . ?
N1 C15 H15B 109.3 . . ?
C16 C15 H15B 109.3 . . ?
H15A C15 H15B 108.0 . . ?
N2 C16 C15 112.0(3) . . ?
N2 C16 H16A 109.2 . . ?
C15 C16 H16A 109.2 . . ?
N2 C16 H16B 109.2 . . ?
C15 C16 H16B 109.2 . . ?
H16A C16 H16B 107.9 . . ?
N2 C17 H17A 109.5 . . ?
N2 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
N2 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N2 C18 H18A 109.5 . . ?
N2 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
N2 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C21 C19 C22 107.4(3) . . ?
C21 C19 C20 106.7(3) . . ?
C22 C19 C20 108.5(3) . . ?
C21 C19 C2 116.6(3) . . ?
C22 C19 C2 108.4(3) . . ?
C20 C19 C2 109.0(3) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C26 C23 C24 108.7(3) . . ?
C26 C23 C4 112.5(3) . . ?
C24 C23 C4 109.8(3) . . ?
C26 C23 C25 107.7(3) . . ?
C24 C23 C25 109.8(4) . . ?
C4 C23 C25 108.3(3) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C23 C26 H26A 109.5 . . ?
C23 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C23 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C30 C27 C29 109.5(4) . . ?
C30 C27 C28 107.3(3) . . ?
C29 C27 C28 107.2(3) . . ?
C30 C27 C8 110.1(3) . . ?
C29 C27 C8 109.7(3) . . ?
C28 C27 C8 112.9(3) . . ?
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 . . ?
C27 C30 H30A 109.5 . . ?
C27 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C27 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C33 C31 C32 108.0(4) . . ?
C33 C31 C34 108.5(5) . . ?
C32 C31 C34 108.8(4) . . ?
C33 C31 C10 112.1(3) . . ?
C32 C31 C10 108.2(4) . . ?
C34 C31 C10 111.2(4) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C31 C34 H34A 109.5 . . ?
C31 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C31 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
N3 C35 N3 137.3(4) . 2_655 ?
N3 C35 Yb1 67.41(16) . . ?
N3 C35 Yb1 155.0(3) 2_655 . ?
N3 C35 Yb1 155.0(3) . 2_655 ?
N3 C35 Yb1 67.41(16) 2_655 2_655 ?
Yb1 C35 Yb1 88.45(15) . 2_655 ?
C38 C36 N3 108.5(3) . . ?
C38 C36 C37 112.3(3) . . ?
N3 C36 C37 107.9(3) . . ?
C38 C36 H36 109.3 . . ?
N3 C36 H36 109.3 . . ?
C37 C36 H36 109.3 . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C36 C38 H38A 109.5 . . ?
C36 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C36 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C40 C39 C44 121.5(6) . . ?
C40 C39 C45 117.8(8) . . ?
C44 C39 C45 120.7(8) . . ?
C41 C40 C39 119.9(6) . . ?
C41 C40 H40 120.1 . . ?
C39 C40 H40 120.1 . . ?
C40 C41 C42 123.2(7) . . ?
C40 C41 H41 118.4 . . ?
C42 C41 H41 118.4 . . ?
C41 C42 C43 118.7(7) . . ?
C41 C42 H42 120.6 . . ?
C43 C42 H42 120.6 . . ?
C42 C43 C44 118.6(6) . . ?
C42 C43 H43 120.7 . . ?
C44 C43 H43 120.7 . . ?
C39 C44 C43 118.0(6) . . ?
C39 C44 H44 121.0 . . ?
C43 C44 H44 121.0 . . ?
C39 C45 H45A 109.5 . . ?
C39 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C39 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Yb1 O2 2.167(2) . ?
Yb1 N3 2.239(3) . ?
Yb1 O1 2.292(2) . ?
Yb1 C35 2.383(3) . ?
Yb1 O1 2.391(2) 2_655 ?
Yb1 N1 2.486(3) . ?
Yb1 N2 2.619(3) . ?
Yb1 Yb1 3.3244(5) 2_655 ?
O1 C1 1.364(4) . ?
O1 Yb1 2.391(2) 2_655 ?
O2 C7 1.337(4) . ?
N1 C15 1.480(4) . ?
N1 C13 1.492(4) . ?
N1 C14 1.498(4) . ?
N2 C17 1.472(5) . ?
N2 C18 1.478(5) . ?
N2 C16 1.482(5) . ?
N3 C35 1.332(3) . ?
N3 C36 1.508(5) . ?
C1 C2 1.413(5) . ?
C1 C6 1.416(5) . ?
C2 C3 1.403(5) . ?
C2 C19 1.548(5) . ?
C3 C4 1.383(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.386(5) . ?
C4 C23 1.538(5) . ?
C5 C6 1.391(5) . ?
C5 H5 0.9500 . ?
C6 C13 1.507(4) . ?
C7 C12 1.408(5) . ?
C7 C8 1.426(5) . ?
C8 C9 1.391(5) . ?
C8 C27 1.544(5) . ?
C9 C10 1.397(6) . ?
C9 H9 0.9500 . ?
C10 C11 1.379(5) . ?
C10 C31 1.534(5) . ?
C11 C12 1.393(5) . ?
C11 H11 0.9500 . ?
C12 C14 1.500(5) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.513(5) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C21 1.533(5) . ?
C19 C22 1.540(5) . ?
C19 C20 1.544(5) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C26 1.523(5) . ?
C23 C24 1.528(6) . ?
C23 C25 1.541(6) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C30 1.520(6) . ?
C27 C29 1.531(6) . ?
C27 C28 1.534(5) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C33 1.517(7) . ?
C31 C32 1.518(6) . ?
C31 C34 1.521(6) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 N3 1.332(3) 2_655 ?
C35 Yb1 2.383(3) 2_655 ?
C36 C38 1.506(5) . ?
C36 C37 1.513(5) . ?
C36 H36 1.0000 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 C40 1.339(8) . ?
C39 C44 1.378(9) . ?
C39 C45 1.507(10) . ?
C40 C41 1.338(8) . ?
C40 H40 0.9500 . ?
C41 C42 1.353(8) . ?
C41 H41 0.9500 . ?
C42 C43 1.386(9) . ?
C42 H42 0.9500 . ?
C43 C44 1.434(10) . ?
C43 H43 0.9500 . ?
C44 H44 0.9500 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O2 Yb1 O1 C1 -36.5(4) . . . . ?
N3 Yb1 O1 C1 136.3(2) . . . . ?
C35 Yb1 O1 C1 159.9(3) . . . . ?
O1 Yb1 O1 C1 -121.6(2) 2_655 . . . ?
N1 Yb1 O1 C1 -26.2(2) . . . . ?
N2 Yb1 O1 C1 42.8(2) . . . . ?
Yb1 Yb1 O1 C1 -161.5(3) 2_655 . . . ?
O2 Yb1 O1 Yb1 124.9(2) . . . 2_655 ?
N3 Yb1 O1 Yb1 -62.23(9) . . . 2_655 ?
C35 Yb1 O1 Yb1 -38.65(7) . . . 2_655 ?
O1 Yb1 O1 Yb1 39.91(9) 2_655 . . 2_655 ?
N1 Yb1 O1 Yb1 135.28(9) . . . 2_655 ?
N2 Yb1 O1 Yb1 -155.76(8) . . . 2_655 ?
N3 Yb1 O2 C7 -156.4(3) . . . . ?
O1 Yb1 O2 C7 16.5(5) . . . . ?
C35 Yb1 O2 C7 177.6(3) . . . . ?
O1 Yb1 O2 C7 96.2(3) 2_655 . . . ?
N1 Yb1 O2 C7 6.1(3) . . . . ?
N2 Yb1 O2 C7 -62.8(3) . . . . ?
Yb1 Yb1 O2 C7 120.8(3) 2_655 . . . ?
O2 Yb1 N1 C15 -86.2(2) . . . . ?
N3 Yb1 N1 C15 -4.5(4) . . . . ?
O1 Yb1 N1 C15 97.4(2) . . . . ?
C35 Yb1 N1 C15 113.8(2) . . . . ?
O1 Yb1 N1 C15 170.5(2) 2_655 . . . ?
N2 Yb1 N1 C15 6.3(2) . . . . ?
Yb1 Yb1 N1 C15 131.0(2) 2_655 . . . ?
O2 Yb1 N1 C13 148.6(2) . . . . ?
N3 Yb1 N1 C13 -129.7(3) . . . . ?
O1 Yb1 N1 C13 -27.78(19) . . . . ?
C35 Yb1 N1 C13 -11.3(3) . . . . ?
O1 Yb1 N1 C13 45.33(19) 2_655 . . . ?
N2 Yb1 N1 C13 -118.8(2) . . . . ?
Yb1 Yb1 N1 C13 5.9(2) 2_655 . . . ?
O2 Yb1 N1 C14 37.57(19) . . . . ?
N3 Yb1 N1 C14 119.3(3) . . . . ?
O1 Yb1 N1 C14 -138.9(2) . . . . ?
C35 Yb1 N1 C14 -122.4(2) . . . . ?
O1 Yb1 N1 C14 -65.75(19) 2_655 . . . ?
N2 Yb1 N1 C14 130.1(2) . . . . ?
Yb1 Yb1 N1 C14 -105.21(18) 2_655 . . . ?
O2 Yb1 N2 C17 -141.4(2) . . . . ?
N3 Yb1 N2 C17 -43.0(3) . . . . ?
O1 Yb1 N2 C17 58.2(2) . . . . ?
C35 Yb1 N2 C17 -17.0(3) . . . . ?
O1 Yb1 N2 C17 98.0(3) 2_655 . . . ?
N1 Yb1 N2 C17 140.2(3) . . . . ?
Yb1 Yb1 N2 C17 35.8(3) 2_655 . . . ?
O2 Yb1 N2 C18 -20.8(2) . . . . ?
N3 Yb1 N2 C18 77.6(2) . . . . ?
O1 Yb1 N2 C18 178.8(2) . . . . ?
C35 Yb1 N2 C18 103.6(2) . . . . ?
O1 Yb1 N2 C18 -141.4(2) 2_655 . . . ?
N1 Yb1 N2 C18 -99.2(2) . . . . ?
Yb1 Yb1 N2 C18 156.4(2) 2_655 . . . ?
O2 Yb1 N2 C16 99.1(2) . . . . ?
N3 Yb1 N2 C16 -162.6(2) . . . . ?
O1 Yb1 N2 C16 -61.3(2) . . . . ?
C35 Yb1 N2 C16 -136.6(2) . . . . ?
O1 Yb1 N2 C16 -21.6(3) 2_655 . . . ?
N1 Yb1 N2 C16 20.7(2) . . . . ?
Yb1 Yb1 N2 C16 -83.7(2) 2_655 . . . ?
O2 Yb1 N3 C35 -137.11(12) . . . . ?
O1 Yb1 N3 C35 45.34(13) . . . . ?
O1 Yb1 N3 C35 -30.58(14) 2_655 . . . ?
N1 Yb1 N3 C35 144.2(3) . . . . ?
N2 Yb1 N3 C35 134.14(12) . . . . ?
Yb1 Yb1 N3 C35 4.92(10) 2_655 . . . ?
O2 Yb1 N3 C36 18.0(5) . . . . ?
O1 Yb1 N3 C36 -159.5(5) . . . . ?
C35 Yb1 N3 C36 155.1(6) . . . . ?
O1 Yb1 N3 C36 124.5(5) 2_655 . . . ?
N1 Yb1 N3 C36 -60.6(6) . . . . ?
N2 Yb1 N3 C36 -70.7(5) . . . . ?
Yb1 Yb1 N3 C36 160.1(5) 2_655 . . . ?
Yb1 O1 C1 C2 -131.4(3) . . . . ?
Yb1 O1 C1 C2 76.6(4) 2_655 . . . ?
Yb1 O1 C1 C6 47.2(4) . . . . ?
Yb1 O1 C1 C6 -104.8(3) 2_655 . . . ?
O1 C1 C2 C3 -174.5(3) . . . . ?
C6 C1 C2 C3 6.9(5) . . . . ?
O1 C1 C2 C19 5.6(5) . . . . ?
C6 C1 C2 C19 -173.0(3) . . . . ?
C1 C2 C3 C4 -3.4(5) . . . . ?
C19 C2 C3 C4 176.5(3) . . . . ?
C2 C3 C4 C5 -1.9(6) . . . . ?
C2 C3 C4 C23 177.2(3) . . . . ?
C3 C4 C5 C6 3.6(5) . . . . ?
C23 C4 C5 C6 -175.5(3) . . . . ?
C4 C5 C6 C1 0.0(5) . . . . ?
C4 C5 C6 C13 -178.8(3) . . . . ?
O1 C1 C6 C5 175.8(3) . . . . ?
C2 C1 C6 C5 -5.5(5) . . . . ?
O1 C1 C6 C13 -5.4(5) . . . . ?
C2 C1 C6 C13 173.2(3) . . . . ?
Yb1 O2 C7 C12 -23.8(5) . . . . ?
Yb1 O2 C7 C8 155.8(3) . . . . ?
O2 C7 C8 C9 -174.3(3) . . . . ?
C12 C7 C8 C9 5.4(5) . . . . ?
O2 C7 C8 C27 5.7(5) . . . . ?
C12 C7 C8 C27 -174.7(3) . . . . ?
C7 C8 C9 C10 -2.3(6) . . . . ?
C27 C8 C9 C10 177.8(4) . . . . ?
C8 C9 C10 C11 -1.5(6) . . . . ?
C8 C9 C10 C31 176.2(4) . . . . ?
C9 C10 C11 C12 2.1(5) . . . . ?
C31 C10 C11 C12 -175.5(3) . . . . ?
C10 C11 C12 C7 1.1(6) . . . . ?
C10 C11 C12 C14 -177.4(3) . . . . ?
O2 C7 C12 C11 174.7(3) . . . . ?
C8 C7 C12 C11 -5.0(5) . . . . ?
O2 C7 C12 C14 -6.7(5) . . . . ?
C8 C7 C12 C14 173.6(3) . . . . ?
C15 N1 C13 C6 -56.5(4) . . . . ?
C14 N1 C13 C6 -177.2(3) . . . . ?
Yb1 N1 C13 C6 71.7(3) . . . . ?
C5 C6 C13 N1 115.7(3) . . . . ?
C1 C6 C13 N1 -63.1(4) . . . . ?
C15 N1 C14 C12 50.8(4) . . . . ?
C13 N1 C14 C12 171.8(3) . . . . ?
Yb1 N1 C14 C12 -76.3(3) . . . . ?
C11 C12 C14 N1 -117.6(3) . . . . ?
C7 C12 C14 N1 63.8(4) . . . . ?
C13 N1 C15 C16 89.7(3) . . . . ?
C14 N1 C15 C16 -153.2(3) . . . . ?
Yb1 N1 C15 C16 -32.7(3) . . . . ?
C17 N2 C16 C15 -168.1(3) . . . . ?
C18 N2 C16 C15 74.8(4) . . . . ?
Yb1 N2 C16 C15 -45.9(3) . . . . ?
N1 C15 C16 N2 53.5(4) . . . . ?
C3 C2 C19 C21 -175.7(3) . . . . ?
C1 C2 C19 C21 4.2(5) . . . . ?
C3 C2 C19 C22 63.0(4) . . . . ?
C1 C2 C19 C22 -117.0(4) . . . . ?
C3 C2 C19 C20 -54.9(4) . . . . ?
C1 C2 C19 C20 125.1(4) . . . . ?
C3 C4 C23 C26 177.7(3) . . . . ?
C5 C4 C23 C26 -3.2(5) . . . . ?
C3 C4 C23 C24 56.5(5) . . . . ?
C5 C4 C23 C24 -124.4(4) . . . . ?
C3 C4 C23 C25 -63.4(5) . . . . ?
C5 C4 C23 C25 115.7(4) . . . . ?
C9 C8 C27 C30 115.9(4) . . . . ?
C7 C8 C27 C30 -64.0(5) . . . . ?
C9 C8 C27 C29 -123.5(4) . . . . ?
C7 C8 C27 C29 56.5(5) . . . . ?
C9 C8 C27 C28 -4.1(5) . . . . ?
C7 C8 C27 C28 176.0(4) . . . . ?
C11 C10 C31 C33 -14.1(6) . . . . ?
C9 C10 C31 C33 168.4(4) . . . . ?
C11 C10 C31 C32 104.9(5) . . . . ?
C9 C10 C31 C32 -72.6(5) . . . . ?
C11 C10 C31 C34 -135.7(5) . . . . ?
C9 C10 C31 C34 46.8(6) . . . . ?
C36 N3 C35 N3 8.4(2) . . . 2_655 ?
Yb1 N3 C35 N3 174.95(10) . . . 2_655 ?
C36 N3 C35 Yb1 -166.5(3) . . . . ?
C36 N3 C35 Yb1 177.3(2) . . . 2_655 ?
Yb1 N3 C35 Yb1 -16.1(3) . . . 2_655 ?
O2 Yb1 C35 N3 52.04(15) . . . . ?
O1 Yb1 C35 N3 -134.43(14) . . . . ?
O1 Yb1 C35 N3 149.48(14) 2_655 . . . ?
N1 Yb1 C35 N3 -151.1(2) . . . . ?
N2 Yb1 C35 N3 -52.78(15) . . . . ?
Yb1 Yb1 C35 N3 -173.25(13) 2_655 . . . ?
O2 Yb1 C35 N3 -119.8(3) . . . 2_655 ?
N3 Yb1 C35 N3 -171.9(2) . . . 2_655 ?
O1 Yb1 C35 N3 53.7(3) . . . 2_655 ?
O1 Yb1 C35 N3 -22.4(3) 2_655 . . 2_655 ?
N1 Yb1 C35 N3 37.0(3) . . . 2_655 ?
N2 Yb1 C35 N3 135.3(3) . . . 2_655 ?
Yb1 Yb1 C35 N3 14.9(3) 2_655 . . 2_655 ?
O2 Yb1 C35 Yb1 -134.71(8) . . . 2_655 ?
N3 Yb1 C35 Yb1 173.25(13) . . . 2_655 ?
O1 Yb1 C35 Yb1 38.81(6) . . . 2_655 ?
O1 Yb1 C35 Yb1 -37.27(5) 2_655 . . 2_655 ?
N1 Yb1 C35 Yb1 22.15(18) . . . 2_655 ?
N2 Yb1 C35 Yb1 120.47(8) . . . 2_655 ?
C35 N3 C36 C38 79.2(4) . . . . ?
Yb1 N3 C36 C38 -70.6(6) . . . . ?
C35 N3 C36 C37 -158.8(3) . . . . ?
Yb1 N3 C36 C37 51.4(6) . . . . ?
C44 C39 C40 C41 3.5(9) . . . . ?
C45 C39 C40 C41 -178.4(6) . . . . ?
C39 C40 C41 C42 -2.9(9) . . . . ?
C40 C41 C42 C43 0.1(10) . . . . ?
C41 C42 C43 C44 1.9(10) . . . . ?
C40 C39 C44 C43 -1.5(9) . . . . ?
C45 C39 C44 C43 -179.5(6) . . . . ?
C42 C43 C44 C39 -1.3(9) . . . . ?
