#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:48:26 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179207 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/39/4313966.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_4313966
loop_
_publ_author_name
'Yonghong Wan'
'Liping Zhang'
'Linpei Jin'
'Song Gao'
'Shaozhe Lu'
_publ_section_title
;
 High-Dimensional Architectures from the Self-Assembly of Lanthanide Ions
 with Benzenedicarboxylates and 1,10-Phenanthroline
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4985
_journal_page_last               4994
_journal_paper_doi               10.1021/ic034258c
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C48 H30 N4 O13 Yb2'
_chemical_formula_weight         1216.84
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_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
_cell_angle_alpha                105.464(4)
_cell_angle_beta                 91.300(5)
_cell_angle_gamma                93.655(5)
_cell_formula_units_Z            2
_cell_length_a                   10.349(3)
_cell_length_b                   11.052(3)
_cell_length_c                   19.431(6)
_cell_measurement_temperature    293(2)
_cell_volume                     2135.8(11)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0385
_diffrn_reflns_av_sigmaI/netI    0.0798
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            9139
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         1.93
_exptl_absorpt_coefficient_mu    5.517
_exptl_absorpt_correction_T_max  0.8520
_exptl_absorpt_correction_T_min  0.4050
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_density_diffrn    1.892
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1180
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.518
_refine_diff_density_min         -2.104
_refine_diff_density_rms         0.162
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.914
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     604
_refine_ls_number_reflns         7737
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.914
_refine_ls_R_factor_all          0.0680
_refine_ls_R_factor_gt           0.0386
_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)+(0.0357P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0758
_refine_ls_wR_factor_ref         0.0834
_reflns_number_gt                5455
_reflns_number_total             7737
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic034258csi20030310_091045_6.cif
_cod_data_source_block           complex6
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN'
changed to 'multi-scan' according to the built-in table from CIF Core
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        2135.9(12)
_cod_database_code               4313966
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Yb1 Yb 0.13133(3) 0.33943(3) 0.257941(15) 0.01880(9) Uani 1 1 d . . .
Yb2 Yb 0.33205(3) 0.67550(3) 0.248287(15) 0.01844(9) Uani 1 1 d . . .
O1 O 0.3470(4) 0.4667(5) 0.1911(3) 0.0275(12) Uani 1 1 d . . .
O2 O 0.2932(5) 0.2668(5) 0.1849(3) 0.0298(12) Uani 1 1 d . . .
O3 O 0.6010(5) 0.2846(5) -0.1463(3) 0.0321(13) Uani 1 1 d . . .
O4 O 0.6672(6) 0.1128(6) -0.1214(3) 0.0500(17) Uani 1 1 d . . .
O5 O 0.1781(5) 0.7174(5) 0.3329(3) 0.0316(13) Uani 1 1 d . . .
O6 O 0.0896(5) 0.5269(5) 0.3276(3) 0.0326(13) Uani 1 1 d . . .
O7 O -0.1584(6) 0.9538(6) 0.6419(3) 0.0537(18) Uani 1 1 d . . .
O8 O -0.1066(5) 0.7886(5) 0.6761(3) 0.0354(13) Uani 1 1 d . . .
O9 O 0.0655(4) 0.4081(5) 0.1638(3) 0.0297(13) Uani 1 1 d . . .
O10 O 0.1474(4) 0.6052(5) 0.1793(3) 0.0290(12) Uani 1 1 d . . .
O11 O 0.3078(5) 0.3987(6) 0.3334(3) 0.0375(14) Uani 1 1 d . . .
O12 O 0.3978(5) 0.5906(5) 0.3401(3) 0.0344(14) Uani 1 1 d . . .
O13 O 0.2405(5) 0.8639(5) 0.2437(2) 0.0300(12) Uani 1 1 d . . .
N1 N -0.1124(6) 0.3172(7) 0.2639(3) 0.0322(16) Uani 1 1 d . . .
N2 N 0.0271(6) 0.1430(6) 0.1731(3) 0.0316(16) Uani 1 1 d . . .
N3 N 0.4607(6) 0.8504(6) 0.3367(3) 0.0302(16) Uani 1 1 d . . .
N4 N 0.5776(6) 0.6702(6) 0.2417(3) 0.0317(16) Uani 1 1 d . . .
C1 C -0.1815(8) 0.4039(10) 0.3057(5) 0.052(3) Uani 1 1 d . . .
H1 H -0.1392 0.4805 0.3304 0.062 Uiso 1 1 calc R . .
C2 C -0.3135(9) 0.3846(12) 0.3140(6) 0.069(3) Uani 1 1 d . . .
H2 H -0.3581 0.4482 0.3429 0.083 Uiso 1 1 calc R . .
C3 C -0.3777(9) 0.2722(13) 0.2797(6) 0.071(4) Uani 1 1 d . . .
H3 H -0.4654 0.2572 0.2863 0.085 Uiso 1 1 calc R . .
C4 C -0.3098(8) 0.1804(11) 0.2347(5) 0.053(3) Uani 1 1 d . . .
C5 C -0.3686(9) 0.0612(11) 0.1949(6) 0.065(3) Uani 1 1 d . . .
H5 H -0.4560 0.0423 0.2003 0.078 Uiso 1 1 calc R . .
C6 C -0.3020(10) -0.0247(11) 0.1500(7) 0.071(4) Uani 1 1 d . . .
H6 H -0.3435 -0.1017 0.1253 0.085 Uiso 1 1 calc R . .
C7 C -0.1681(9) 0.0017(9) 0.1401(6) 0.053(3) Uani 1 1 d . . .
C8 C -0.0951(11) -0.0838(9) 0.0929(6) 0.067(3) Uani 1 1 d . . .
H8 H -0.1342 -0.1603 0.0659 0.081 Uiso 1 1 calc R . .
C9 C 0.0335(10) -0.0542(10) 0.0867(6) 0.064(3) Uani 1 1 d . . .
H9 H 0.0824 -0.1099 0.0551 0.077 Uiso 1 1 calc R . .
C10 C 0.0907(9) 0.0605(8) 0.1284(5) 0.042(2) Uani 1 1 d . . .
H10 H 0.1786 0.0789 0.1241 0.050 Uiso 1 1 calc R . .
C11 C -0.1760(7) 0.2063(9) 0.2275(5) 0.035(2) Uani 1 1 d . . .
C12 C -0.1025(8) 0.1145(8) 0.1798(5) 0.036(2) Uani 1 1 d . . .
C13 C 0.4062(8) 0.9369(8) 0.3864(4) 0.040(2) Uani 1 1 d . . .
H13 H 0.3193 0.9221 0.3948 0.048 Uiso 1 1 calc R . .
C14 C 0.4712(10) 1.0483(9) 0.4266(5) 0.058(3) Uani 1 1 d . . .
H14 H 0.4295 1.1049 0.4618 0.069 Uiso 1 1 calc R . .
C15 C 0.5970(11) 1.0720(11) 0.4132(6) 0.072(3) Uani 1 1 d . . .
H15 H 0.6404 1.1483 0.4374 0.087 Uiso 1 1 calc R . .
C16 C 0.6625(9) 0.9838(10) 0.3635(6) 0.054(3) Uani 1 1 d . . .
C17 C 0.7941(10) 0.9996(13) 0.3467(7) 0.074(4) Uani 1 1 d . . .
H17 H 0.8408 1.0754 0.3686 0.088 Uiso 1 1 calc R . .
C18 C 0.8526(10) 0.9126(12) 0.3019(7) 0.075(4) Uani 1 1 d . . .
H18 H 0.9397 0.9267 0.2935 0.090 Uiso 1 1 calc R . .
C19 C 0.7835(8) 0.7952(10) 0.2653(5) 0.051(3) Uani 1 1 d . . .
C20 C 0.8407(9) 0.6976(12) 0.2162(7) 0.069(3) Uani 1 1 d . . .
H20 H 0.9276 0.7069 0.2060 0.083 Uiso 1 1 calc R . .
C21 C 0.7688(9) 0.5906(12) 0.1841(6) 0.064(3) Uani 1 1 d . . .
H21 H 0.8070 0.5240 0.1535 0.076 Uiso 1 1 calc R . .
C22 C 0.6365(8) 0.5798(10) 0.1968(5) 0.053(3) Uani 1 1 d . . .
H22 H 0.5878 0.5064 0.1728 0.063 Uiso 1 1 calc R . .
C23 C 0.5897(7) 0.8737(8) 0.3274(5) 0.035(2) Uani 1 1 d . . .
C24 C 0.6504(7) 0.7747(9) 0.2757(5) 0.037(2) Uani 1 1 d . . .
C25 C 0.3480(6) 0.3501(7) 0.1605(4) 0.0236(17) Uani 1 1 d . . .
C26 C 0.4132(6) 0.3113(7) 0.0899(4) 0.0232(17) Uani 1 1 d . . .
C27 C 0.4019(7) 0.3801(8) 0.0424(4) 0.0329(19) Uani 1 1 d . . .
H27 H 0.3541 0.4507 0.0533 0.039 Uiso 1 1 calc R . .
C28 C 0.4617(8) 0.3453(8) -0.0229(4) 0.038(2) Uani 1 1 d . . .
H28 H 0.4506 0.3905 -0.0564 0.046 Uiso 1 1 calc R . .
C29 C 0.5379(6) 0.2429(7) -0.0380(4) 0.0242(17) Uani 1 1 d . . .
C30 C 0.5463(8) 0.1734(8) 0.0099(5) 0.045(2) Uani 1 1 d . . .
H30 H 0.5961 0.1042 0.0000 0.053 Uiso 1 1 calc R . .
C31 C 0.4809(8) 0.2047(8) 0.0740(4) 0.041(2) Uani 1 1 d . . .
H31 H 0.4832 0.1541 0.1053 0.049 Uiso 1 1 calc R . .
C32 C 0.6078(7) 0.2092(8) -0.1076(4) 0.0256(18) Uani 1 1 d . . .
C33 C 0.1084(6) 0.6433(8) 0.3565(4) 0.0248(17) Uani 1 1 d . . .
C34 C 0.0455(7) 0.6946(7) 0.4266(4) 0.0253(17) Uani 1 1 d . . .
C35 C -0.0072(13) 0.8034(11) 0.4420(5) 0.092(5) Uani 1 1 d . . .
H35 H -0.0044 0.8503 0.4087 0.110 Uiso 1 1 calc R . .
C36 C -0.0667(13) 0.8508(12) 0.5057(5) 0.100(6) Uani 1 1 d . . .
H36 H -0.1088 0.9246 0.5123 0.120 Uiso 1 1 calc R . .
C37 C -0.0652(6) 0.7936(7) 0.5574(4) 0.0235(17) Uani 1 1 d . . .
C38 C -0.0033(14) 0.6861(11) 0.5445(5) 0.098(5) Uani 1 1 d . . .
H38 H 0.0061 0.6460 0.5805 0.117 Uiso 1 1 calc R . .
C39 C 0.0466(16) 0.6348(11) 0.4778(6) 0.114(6) Uani 1 1 d . . .
H39 H 0.0817 0.5570 0.4689 0.137 Uiso 1 1 calc R . .
C40 C -0.1151(7) 0.8503(8) 0.6309(4) 0.0260(18) Uani 1 1 d . . .
C41 C 0.0889(6) 0.5066(8) 0.1429(4) 0.0243(17) Uani 1 1 d . . .
C42 C 0.0417(6) 0.5024(7) 0.0687(4) 0.0239(17) Uani 1 1 d . . .
C43 C -0.0315(7) 0.3985(7) 0.0270(4) 0.0299(19) Uani 1 1 d . . .
H43 H -0.0526 0.3301 0.0450 0.036 Uiso 1 1 calc R . .
C44 C -0.0734(7) 0.3961(7) -0.0418(4) 0.0309(19) Uani 1 1 d . . .
H44 H -0.1228 0.3264 -0.0697 0.037 Uiso 1 1 calc R . .
C45 C 0.3773(7) 0.4981(8) 0.3634(4) 0.0240(17) Uani 1 1 d . . .
C46 C 0.4421(6) 0.4985(7) 0.4342(4) 0.0229(17) Uani 1 1 d . . .
C47 C 0.5206(7) 0.6009(8) 0.4714(4) 0.0322(19) Uani 1 1 d . . .
H47 H 0.5332 0.6705 0.4533 0.039 Uiso 1 1 calc R . .
C48 C 0.5812(7) 0.6010(8) 0.5358(4) 0.0316(19) Uani 1 1 d . . .
H48 H 0.6383 0.6687 0.5592 0.038 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
O8 Yb1 O6 105.3(2) 2_566 . ?
O8 Yb1 O11 78.8(2) 2_566 . ?
O6 Yb1 O11 75.7(2) . . ?
O8 Yb1 O9 150.1(2) 2_566 . ?
O6 Yb1 O9 87.28(19) . . ?
O11 Yb1 O9 131.0(2) . . ?
O8 Yb1 O2 105.33(19) 2_566 . ?
O6 Yb1 O2 134.60(18) . . ?
O11 Yb1 O2 78.30(19) . . ?
O9 Yb1 O2 82.46(18) . . ?
O8 Yb1 N2 76.7(2) 2_566 . ?
O6 Yb1 N2 143.1(2) . . ?
O11 Yb1 N2 138.7(2) . . ?
O9 Yb1 N2 77.1(2) . . ?
O2 Yb1 N2 76.72(19) . . ?
O8 Yb1 N1 78.2(2) 2_566 . ?
O6 Yb1 N1 78.0(2) . . ?
O11 Yb1 N1 138.8(2) . . ?
O9 Yb1 N1 78.05(19) . . ?
O2 Yb1 N1 141.0(2) . . ?
N2 Yb1 N1 66.2(2) . . ?
O8 Yb1 C25 126.1(2) 2_566 . ?
O6 Yb1 C25 113.6(2) . . ?
O11 Yb1 C25 76.52(19) . . ?
O9 Yb1 C25 68.97(18) . . ?
O2 Yb1 C25 22.80(19) . . ?
N2 Yb1 C25 91.8(2) . . ?
N1 Yb1 C25 143.88(19) . . ?
O8 Yb1 O1 139.93(17) 2_566 . ?
O6 Yb1 O1 89.45(16) . . ?
O11 Yb1 O1 68.92(16) . . ?
O9 Yb1 O1 65.29(15) . . ?
O2 Yb1 O1 46.26(16) . . ?
N2 Yb1 O1 112.95(17) . . ?
N1 Yb1 O1 141.79(17) . . ?
C25 Yb1 O1 24.20(16) . . ?
O8 Yb1 Yb2 142.67(15) 2_566 . ?
O6 Yb1 Yb2 57.07(13) . . ?
O11 Yb1 Yb2 65.41(14) . . ?
O9 Yb1 Yb2 66.80(14) . . ?
O2 Yb1 Yb2 78.38(13) . . ?
N2 Yb1 Yb2 138.28(15) . . ?
N1 Yb1 Yb2 122.48(16) . . ?
C25 Yb1 Yb2 56.60(15) . . ?
O1 Yb1 Yb2 32.40(9) . . ?
O3 Yb2 O10 81.53(19) 2_665 . ?
O3 Yb2 O5 143.86(19) 2_665 . ?
O10 Yb2 O5 79.09(18) . . ?
O3 Yb2 O1 86.40(19) 2_665 . ?
O10 Yb2 O1 72.02(17) . . ?
O5 Yb2 O1 115.63(18) . . ?
O3 Yb2 O12 142.14(18) 2_665 . ?
O10 Yb2 O12 123.19(19) . . ?
O5 Yb2 O12 73.41(19) . . ?
O1 Yb2 O12 76.74(19) . . ?
O3 Yb2 O13 74.31(17) 2_665 . ?
O10 Yb2 O13 76.99(18) . . ?
O5 Yb2 O13 71.77(18) . . ?
O1 Yb2 O13 145.53(17) . . ?
O12 Yb2 O13 134.68(18) . . ?
O3 Yb2 N3 99.2(2) 2_665 . ?
O10 Yb2 N3 149.0(2) . . ?
O5 Yb2 N3 82.91(19) . . ?
O1 Yb2 N3 138.93(19) . . ?
O12 Yb2 N3 74.3(2) . . ?
O13 Yb2 N3 73.48(19) . . ?
O3 Yb2 N4 69.44(19) 2_665 . ?
O10 Yb2 N4 140.7(2) . . ?
O5 Yb2 N4 139.12(19) . . ?
O1 Yb2 N4 80.04(19) . . ?
O12 Yb2 N4 74.34(19) . . ?
O13 Yb2 N4 117.52(19) . . ?
N3 Yb2 N4 64.6(2) . . ?
O3 Yb2 Yb1 124.16(14) 2_665 . ?
O10 Yb2 Yb1 60.46(14) . . ?
O5 Yb2 Yb1 70.10(14) . . ?
O1 Yb2 Yb1 45.56(12) . . ?
O12 Yb2 Yb1 63.66(14) . . ?
O13 Yb2 Yb1 126.74(12) . . ?
N3 Yb2 Yb1 134.70(14) . . ?
N4 Yb2 Yb1 115.69(15) . . ?
C25 O1 Yb2 176.4(5) . . ?
C25 O1 Yb1 74.6(4) . . ?
Yb2 O1 Yb1 102.03(16) . . ?
C25 O2 Yb1 112.7(4) . . ?
C32 O3 Yb2 143.9(5) . 2_665 ?
C33 O5 Yb2 129.4(5) . . ?
C33 O6 Yb1 156.7(5) . . ?
C40 O8 Yb1 167.2(5) . 2_566 ?
C41 O9 Yb1 135.5(5) . . ?
C41 O10 Yb2 141.2(5) . . ?
C45 O11 Yb1 138.5(5) . . ?
C45 O12 Yb2 141.7(5) . . ?
C1 N1 C11 117.8(7) . . ?
C1 N1 Yb1 123.8(6) . . ?
C11 N1 Yb1 118.2(5) . . ?
C10 N2 C12 118.0(8) . . ?
C10 N2 Yb1 124.0(6) . . ?
C12 N2 Yb1 117.6(5) . . ?
C13 N3 C23 116.3(7) . . ?
C13 N3 Yb2 122.8(5) . . ?
C23 N3 Yb2 119.9(5) . . ?
C22 N4 C24 117.3(7) . . ?
C22 N4 Yb2 123.8(6) . . ?
C24 N4 Yb2 117.8(5) . . ?
N1 C1 C2 123.0(10) . . ?
N1 C1 H1 118.5 . . ?
C2 C1 H1 118.5 . . ?
C3 C2 C1 119.9(11) . . ?
C3 C2 H2 120.1 . . ?
C1 C2 H2 120.1 . . ?
C2 C3 C4 118.9(9) . . ?
C2 C3 H3 120.5 . . ?
C4 C3 H3 120.5 . . ?
C3 C4 C11 118.6(10) . . ?
C3 C4 C5 123.3(9) . . ?
C11 C4 C5 118.1(10) . . ?
C6 C5 C4 122.3(10) . . ?
C6 C5 H5 118.8 . . ?
C4 C5 H5 118.8 . . ?
C5 C6 C7 120.3(10) . . ?
C5 C6 H6 119.9 . . ?
C7 C6 H6 119.9 . . ?
C8 C7 C12 117.0(9) . . ?
C8 C7 C6 122.4(10) . . ?
C12 C7 C6 120.6(10) . . ?
C9 C8 C7 119.8(10) . . ?
C9 C8 H8 120.1 . . ?
C7 C8 H8 120.1 . . ?
C8 C9 C10 119.3(10) . . ?
C8 C9 H9 120.4 . . ?
C10 C9 H9 120.4 . . ?
N2 C10 C9 123.3(9) . . ?
N2 C10 H10 118.4 . . ?
C9 C10 H10 118.4 . . ?
N1 C11 C4 121.9(9) . . ?
N1 C11 C12 117.8(7) . . ?
C4 C11 C12 120.3(9) . . ?
N2 C12 C7 122.7(8) . . ?
N2 C12 C11 119.0(8) . . ?
C7 C12 C11 118.3(8) . . ?
N3 C13 C14 124.0(9) . . ?
N3 C13 H13 118.0 . . ?
C14 C13 H13 118.0 . . ?
C15 C14 C13 118.2(10) . . ?
C15 C14 H14 120.9 . . ?
C13 C14 H14 120.9 . . ?
C14 C15 C16 121.1(10) . . ?
C14 C15 H15 119.4 . . ?
C16 C15 H15 119.4 . . ?
C23 C16 C15 116.1(9) . . ?
C23 C16 C17 118.8(10) . . ?
C15 C16 C17 125.1(10) . . ?
C18 C17 C16 122.9(11) . . ?
C18 C17 H17 118.5 . . ?
C16 C17 H17 118.5 . . ?
C17 C18 C19 120.5(10) . . ?
C17 C18 H18 119.7 . . ?
C19 C18 H18 119.7 . . ?
C20 C19 C24 116.4(10) . . ?
C20 C19 C18 123.4(9) . . ?
C24 C19 C18 120.2(10) . . ?
C21 C20 C19 119.6(9) . . ?
C21 C20 H20 120.2 . . ?
C19 C20 H20 120.2 . . ?
C20 C21 C22 119.9(10) . . ?
C20 C21 H21 120.1 . . ?
C22 C21 H21 120.1 . . ?
N4 C22 C21 122.7(10) . . ?
N4 C22 H22 118.7 . . ?
C21 C22 H22 118.7 . . ?
N3 C23 C16 124.0(8) . . ?
N3 C23 C24 115.9(7) . . ?
C16 C23 C24 120.1(8) . . ?
N4 C24 C19 124.1(9) . . ?
N4 C24 C23 118.6(7) . . ?
C19 C24 C23 117.3(9) . . ?
O2 C25 O1 122.9(6) . . ?
O2 C25 C26 119.1(7) . . ?
O1 C25 C26 118.0(7) . . ?
O2 C25 Yb1 44.5(3) . . ?
O1 C25 Yb1 81.2(4) . . ?
C26 C25 Yb1 153.6(5) . . ?
C27 C26 C31 120.7(7) . . ?
C27 C26 C25 119.6(7) . . ?
C31 C26 C25 119.7(7) . . ?
C26 C27 C28 120.1(7) . . ?
C26 C27 H27 119.9 . . ?
C28 C27 H27 119.9 . . ?
C29 C28 C27 120.0(8) . . ?
C29 C28 H28 120.0 . . ?
C27 C28 H28 120.0 . . ?
C30 C29 C28 118.9(7) . . ?
C30 C29 C32 121.3(7) . . ?
C28 C29 C32 119.8(7) . . ?
C29 C30 C31 121.0(7) . . ?
C29 C30 H30 119.5 . . ?
C31 C30 H30 119.5 . . ?
C26 C31 C30 119.0(8) . . ?
C26 C31 H31 120.5 . . ?
C30 C31 H31 120.5 . . ?
O4 C32 O3 125.7(7) . . ?
O4 C32 C29 118.0(7) . . ?
O3 C32 C29 116.3(7) . . ?
O5 C33 O6 124.9(7) . . ?
O5 C33 C34 118.0(7) . . ?
O6 C33 C34 117.1(7) . . ?
C35 C34 C39 116.4(8) . . ?
C35 C34 C33 122.1(8) . . ?
C39 C34 C33 121.4(8) . . ?
C34 C35 C36 122.6(10) . . ?
C34 C35 H35 118.7 . . ?
C36 C35 H35 118.7 . . ?
C37 C36 C35 121.6(9) . . ?
C37 C36 H36 119.2 . . ?
C35 C36 H36 119.2 . . ?
C36 C37 C38 116.4(8) . . ?
C36 C37 C40 123.1(8) . . ?
C38 C37 C40 120.1(7) . . ?
C37 C38 C39 120.9(10) . . ?
C37 C38 H38 119.6 . . ?
C39 C38 H38 119.6 . . ?
C34 C39 C38 121.6(10) . . ?
C34 C39 H39 119.2 . . ?
C38 C39 H39 119.2 . . ?
O7 C40 O8 125.1(7) . . ?
O7 C40 C37 117.4(7) . . ?
O8 C40 C37 117.5(7) . . ?
O10 C41 O9 124.9(7) . . ?
O10 C41 C42 118.0(7) . . ?
O9 C41 C42 117.1(7) . . ?
C44 C42 C43 120.0(7) 2_565 . ?
C44 C42 C41 119.1(7) 2_565 . ?
C43 C42 C41 121.0(7) . . ?
C42 C43 C44 120.1(7) . . ?
C42 C43 H43 120.0 . . ?
C44 C43 H43 120.0 . . ?
C42 C44 C43 120.0(7) 2_565 . ?
C42 C44 H44 120.0 2_565 . ?
C43 C44 H44 120.0 . . ?
O12 C45 O11 126.6(7) . . ?
O12 C45 C46 118.6(7) . . ?
O11 C45 C46 114.8(7) . . ?
C47 C46 C48 118.8(7) . 2_666 ?
C47 C46 C45 120.1(7) . . ?
C48 C46 C45 121.0(7) 2_666 . ?
C46 C47 C48 120.3(7) . . ?
C46 C47 H47 119.9 . . ?
C48 C47 H47 119.9 . . ?
C47 C48 C46 120.8(7) . 2_666 ?
C47 C48 H48 119.6 . . ?
C46 C48 H48 119.6 2_666 . ?
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 O8 2.155(5) 2_566 ?
Yb1 O6 2.227(5) . ?
Yb1 O11 2.265(5) . ?
Yb1 O9 2.266(5) . ?
Yb1 O2 2.267(5) . ?
Yb1 N2 2.511(6) . ?
Yb1 N1 2.527(6) . ?
Yb1 C25 2.984(7) . ?
Yb1 O1 3.059(5) . ?
Yb1 Yb2 4.1896(11) . ?
Yb2 O3 2.256(5) 2_665 ?
Yb2 O10 2.279(5) . ?
Yb2 O5 2.293(5) . ?
Yb2 O1 2.296(5) . ?
Yb2 O12 2.332(5) . ?
Yb2 O13 2.365(5) . ?
Yb2 N3 2.502(6) . ?
Yb2 N4 2.551(6) . ?
O1 C25 1.268(9) . ?
O2 C25 1.253(9) . ?
O3 C32 1.267(9) . ?
O3 Yb2 2.256(5) 2_665 ?
O4 C32 1.234(9) . ?
O5 C33 1.242(9) . ?
O6 C33 1.259(9) . ?
O7 C40 1.223(9) . ?
O8 C40 1.252(9) . ?
O8 Yb1 2.155(5) 2_566 ?
O9 C41 1.271(9) . ?
O10 C41 1.241(9) . ?
O11 C45 1.266(9) . ?
O12 C45 1.233(9) . ?
N1 C1 1.337(10) . ?
N1 C11 1.360(10) . ?
N2 C10 1.303(10) . ?
N2 C12 1.375(10) . ?
N3 C13 1.329(10) . ?
N3 C23 1.369(9) . ?
N4 C22 1.330(10) . ?
N4 C24 1.340(10) . ?
C1 C2 1.389(12) . ?
C1 H1 0.9300 . ?
C2 C3 1.365(15) . ?
C2 H2 0.9300 . ?
C3 C4 1.390(14) . ?
C3 H3 0.9300 . ?
C4 C11 1.414(11) . ?
C4 C5 1.427(14) . ?
C5 C6 1.344(15) . ?
C5 H5 0.9300 . ?
C6 C7 1.426(13) . ?
C6 H6 0.9300 . ?
C7 C8 1.401(14) . ?
C7 C12 1.402(12) . ?
C8 C9 1.366(14) . ?
C8 H8 0.9300 . ?
C9 C10 1.396(12) . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
C11 C12 1.448(12) . ?
C13 C14 1.391(12) . ?
C13 H13 0.9300 . ?
C14 C15 1.357(13) . ?
C14 H14 0.9300 . ?
C15 C16 1.398(14) . ?
C15 H15 0.9300 . ?
C16 C23 1.395(12) . ?
C16 C17 1.419(13) . ?
C17 C18 1.304(15) . ?
C17 H17 0.9300 . ?
C18 C19 1.438(15) . ?
C18 H18 0.9300 . ?
C19 C20 1.409(15) . ?
C19 C24 1.409(11) . ?
C20 C21 1.347(15) . ?
C20 H20 0.9300 . ?
C21 C22 1.400(12) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
C23 C24 1.460(12) . ?
C25 C26 1.512(10) . ?
C26 C27 1.350(10) . ?
C26 C31 1.377(10) . ?
C27 C28 1.397(10) . ?
C27 H27 0.9300 . ?
C28 C29 1.391(10) . ?
C28 H28 0.9300 . ?
C29 C30 1.358(11) . ?
C29 C32 1.518(9) . ?
C30 C31 1.403(10) . ?
C30 H30 0.9300 . ?
C31 H31 0.9300 . ?
C33 C34 1.509(9) . ?
C34 C35 1.316(12) . ?
C34 C39 1.334(13) . ?
C35 C36 1.384(12) . ?
C35 H35 0.9300 . ?
C36 C37 1.323(12) . ?
C36 H36 0.9300 . ?
C37 C38 1.352(12) . ?
C37 C40 1.515(10) . ?
C38 C39 1.393(12) . ?
C38 H38 0.9300 . ?
C39 H39 0.9300 . ?
C41 C42 1.501(10) . ?
C42 C44 1.383(10) 2_565 ?
C42 C43 1.383(10) . ?
C43 C44 1.389(10) . ?
C43 H43 0.9300 . ?
C44 C42 1.383(10) 2_565 ?
C44 H44 0.9300 . ?
C45 C46 1.516(9) . ?
C46 C47 1.372(10) . ?
C46 C48 1.386(10) 2_666 ?
C47 C48 1.386(10) . ?
C47 H47 0.9300 . ?
C48 C46 1.386(10) 2_666 ?
C48 H48 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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O8 Yb1 Yb2 O3 146.3(3) 2_566 . . 2_665 ?
O6 Yb1 Yb2 O3 -143.0(2) . . . 2_665 ?
O11 Yb1 Yb2 O3 128.5(2) . . . 2_665 ?
O9 Yb1 Yb2 O3 -40.5(2) . . . 2_665 ?
O2 Yb1 Yb2 O3 46.2(2) . . . 2_665 ?
N2 Yb1 Yb2 O3 -8.2(3) . . . 2_665 ?
N1 Yb1 Yb2 O3 -97.8(2) . . . 2_665 ?
C25 Yb1 Yb2 O3 38.8(2) . . . 2_665 ?
O1 Yb1 Yb2 O3 39.5(2) . . . 2_665 ?
O8 Yb1 Yb2 O10 -159.8(3) 2_566 . . . ?
O6 Yb1 Yb2 O10 -89.1(2) . . . . ?
O11 Yb1 Yb2 O10 -177.6(2) . . . . ?
O9 Yb1 Yb2 O10 13.4(2) . . . . ?
O2 Yb1 Yb2 O10 100.1(2) . . . . ?
N2 Yb1 Yb2 O10 45.7(3) . . . . ?
N1 Yb1 Yb2 O10 -44.0(2) . . . . ?
C25 Yb1 Yb2 O10 92.7(2) . . . . ?
O1 Yb1 Yb2 O10 93.4(2) . . . . ?
O8 Yb1 Yb2 O5 -71.3(3) 2_566 . . . ?
O6 Yb1 Yb2 O5 -0.6(2) . . . . ?
O11 Yb1 Yb2 O5 -89.1(2) . . . . ?
O9 Yb1 Yb2 O5 101.87(19) . . . . ?
O2 Yb1 Yb2 O5 -171.43(19) . . . . ?
N2 Yb1 Yb2 O5 134.2(3) . . . . ?
N1 Yb1 Yb2 O5 44.6(2) . . . . ?
C25 Yb1 Yb2 O5 -178.8(2) . . . . ?
O1 Yb1 Yb2 O5 -178.1(2) . . . . ?
O8 Yb1 Yb2 O1 106.8(3) 2_566 . . . ?
O6 Yb1 Yb2 O1 177.5(2) . . . . ?
O11 Yb1 Yb2 O1 89.0(2) . . . . ?
O9 Yb1 Yb2 O1 -80.0(2) . . . . ?
O2 Yb1 Yb2 O1 6.7(2) . . . . ?
N2 Yb1 Yb2 O1 -47.7(3) . . . . ?
N1 Yb1 Yb2 O1 -137.3(2) . . . . ?
C25 Yb1 Yb2 O1 -0.7(2) . . . . ?
O8 Yb1 Yb2 O12 9.5(3) 2_566 . . . ?
O6 Yb1 Yb2 O12 80.2(2) . . . . ?
O11 Yb1 Yb2 O12 -8.3(2) . . . . ?
O9 Yb1 Yb2 O12 -177.3(2) . . . . ?
O2 Yb1 Yb2 O12 -90.6(2) . . . . ?
N2 Yb1 Yb2 O12 -145.0(3) . . . . ?
N1 Yb1 Yb2 O12 125.4(2) . . . . ?
C25 Yb1 Yb2 O12 -98.0(2) . . . . ?
O1 Yb1 Yb2 O12 -97.3(2) . . . . ?
O8 Yb1 Yb2 O13 -118.1(3) 2_566 . . . ?
O6 Yb1 Yb2 O13 -47.3(2) . . . . ?
O11 Yb1 Yb2 O13 -135.8(2) . . . . ?
O9 Yb1 Yb2 O13 55.1(2) . . . . ?
O2 Yb1 Yb2 O13 141.84(19) . . . . ?
N2 Yb1 Yb2 O13 87.5(3) . . . . ?
N1 Yb1 Yb2 O13 -2.2(2) . . . . ?
C25 Yb1 Yb2 O13 134.5(2) . . . . ?
O1 Yb1 Yb2 O13 135.1(2) . . . . ?
O8 Yb1 Yb2 N3 -14.2(3) 2_566 . . . ?
O6 Yb1 Yb2 N3 56.5(3) . . . . ?
O11 Yb1 Yb2 N3 -32.0(3) . . . . ?
O9 Yb1 Yb2 N3 159.0(2) . . . . ?
O2 Yb1 Yb2 N3 -114.3(2) . . . . ?
N2 Yb1 Yb2 N3 -168.7(3) . . . . ?
N1 Yb1 Yb2 N3 101.7(3) . . . . ?
C25 Yb1 Yb2 N3 -121.7(3) . . . . ?
O1 Yb1 Yb2 N3 -121.0(3) . . . . ?
O8 Yb1 Yb2 N4 64.6(3) 2_566 . . . ?
O6 Yb1 Yb2 N4 135.3(2) . . . . ?
O11 Yb1 Yb2 N4 46.8(2) . . . . ?
O9 Yb1 Yb2 N4 -122.2(2) . . . . ?
O2 Yb1 Yb2 N4 -35.5(2) . . . . ?
N2 Yb1 Yb2 N4 -89.9(3) . . . . ?
N1 Yb1 Yb2 N4 -179.5(2) . . . . ?
C25 Yb1 Yb2 N4 -42.9(2) . . . . ?
O1 Yb1 Yb2 N4 -42.2(2) . . . . ?
O3 Yb2 O1 C25 -127(8) 2_665 . . . ?
O10 Yb2 O1 C25 -45(8) . . . . ?
O5 Yb2 O1 C25 23(8) . . . . ?
O12 Yb2 O1 C25 87(8) . . . . ?
O13 Yb2 O1 C25 -72(8) . . . . ?
N3 Yb2 O1 C25 133(8) . . . . ?
N4 Yb2 O1 C25 163(8) . . . . ?
Yb1 Yb2 O1 C25 21(8) . . . . ?
O3 Yb2 O1 Yb1 -148.18(18) 2_665 . . . ?
O10 Yb2 O1 Yb1 -65.93(17) . . . . ?
O5 Yb2 O1 Yb1 2.0(2) . . . . ?
O12 Yb2 O1 Yb1 65.96(17) . . . . ?
O13 Yb2 O1 Yb1 -93.0(3) . . . . ?
N3 Yb2 O1 Yb1 112.0(3) . . . . ?
N4 Yb2 O1 Yb1 142.07(19) . . . . ?
O8 Yb1 O1 C25 65.8(5) 2_566 . . . ?
O6 Yb1 O1 C25 179.3(4) . . . . ?
O11 Yb1 O1 C25 104.4(4) . . . . ?
O9 Yb1 O1 C25 -93.5(4) . . . . ?
O2 Yb1 O1 C25 10.5(4) . . . . ?
N2 Yb1 O1 C25 -30.9(4) . . . . ?
N1 Yb1 O1 C25 -111.1(5) . . . . ?
Yb2 Yb1 O1 C25 -178.6(5) . . . . ?
O8 Yb1 O1 Yb2 -115.6(3) 2_566 . . . ?
O6 Yb1 O1 Yb2 -2.09(19) . . . . ?
O11 Yb1 O1 Yb2 -77.0(2) . . . . ?
O9 Yb1 O1 Yb2 85.2(2) . . . . ?
O2 Yb1 O1 Yb2 -170.9(3) . . . . ?
N2 Yb1 O1 Yb2 147.71(19) . . . . ?
N1 Yb1 O1 Yb2 67.6(3) . . . . ?
C25 Yb1 O1 Yb2 178.6(5) . . . . ?
O8 Yb1 O2 C25 -157.8(5) 2_566 . . . ?
O6 Yb1 O2 C25 -26.9(6) . . . . ?
O11 Yb1 O2 C25 -83.0(5) . . . . ?
O9 Yb1 O2 C25 51.7(5) . . . . ?
N2 Yb1 O2 C25 130.2(5) . . . . ?
N1 Yb1 O2 C25 112.1(5) . . . . ?
O1 Yb1 O2 C25 -11.1(4) . . . . ?
Yb2 Yb1 O2 C25 -16.0(4) . . . . ?
O3 Yb2 O5 C33 129.0(6) 2_665 . . . ?
O10 Yb2 O5 C33 70.3(6) . . . . ?
O1 Yb2 O5 C33 6.4(6) . . . . ?
O12 Yb2 O5 C33 -59.5(6) . . . . ?
O13 Yb2 O5 C33 150.0(6) . . . . ?
N3 Yb2 O5 C33 -135.1(6) . . . . ?
N4 Yb2 O5 C33 -98.7(6) . . . . ?
Yb1 Yb2 O5 C33 7.9(6) . . . . ?
O8 Yb1 O6 C33 131.4(13) 2_566 . . . ?
O11 Yb1 O6 C33 57.5(13) . . . . ?
O9 Yb1 O6 C33 -76.2(13) . . . . ?
O2 Yb1 O6 C33 0.5(14) . . . . ?
N2 Yb1 O6 C33 -140.4(12) . . . . ?
N1 Yb1 O6 C33 -154.5(13) . . . . ?
C25 Yb1 O6 C33 -10.6(13) . . . . ?
O1 Yb1 O6 C33 -10.9(13) . . . . ?
Yb2 Yb1 O6 C33 -12.2(12) . . . . ?
O8 Yb1 O9 C41 164.6(6) 2_566 . . . ?
O6 Yb1 O9 C41 48.0(6) . . . . ?
O11 Yb1 O9 C41 -20.4(7) . . . . ?
O2 Yb1 O9 C41 -87.7(6) . . . . ?
N2 Yb1 O9 C41 -165.7(7) . . . . ?
N1 Yb1 O9 C41 126.3(7) . . . . ?
C25 Yb1 O9 C41 -68.7(6) . . . . ?
O1 Yb1 O9 C41 -42.7(6) . . . . ?
Yb2 Yb1 O9 C41 -7.2(6) . . . . ?
O3 Yb2 O10 C41 98.8(8) 2_665 . . . ?
O5 Yb2 O10 C41 -111.9(8) . . . . ?
O1 Yb2 O10 C41 9.8(8) . . . . ?
O12 Yb2 O10 C41 -50.1(8) . . . . ?
O13 Yb2 O10 C41 174.5(8) . . . . ?
N3 Yb2 O10 C41 -167.5(7) . . . . ?
N4 Yb2 O10 C41 56.7(9) . . . . ?
Yb1 Yb2 O10 C41 -38.7(8) . . . . ?
O8 Yb1 O11 C45 -146.6(8) 2_566 . . . ?
O6 Yb1 O11 C45 -37.5(7) . . . . ?
O9 Yb1 O11 C45 35.9(8) . . . . ?
O2 Yb1 O11 C45 104.9(7) . . . . ?
N2 Yb1 O11 C45 158.8(7) . . . . ?
N1 Yb1 O11 C45 -89.5(8) . . . . ?
C25 Yb1 O11 C45 81.6(7) . . . . ?
O1 Yb1 O11 C45 57.5(7) . . . . ?
Yb2 Yb1 O11 C45 22.5(7) . . . . ?
O3 Yb2 O12 C45 -108.3(8) 2_665 . . . ?
O10 Yb2 O12 C45 15.4(9) . . . . ?
O5 Yb2 O12 C45 79.9(8) . . . . ?
O1 Yb2 O12 C45 -42.4(8) . . . . ?
O13 Yb2 O12 C45 120.9(8) . . . . ?
N3 Yb2 O12 C45 167.0(8) . . . . ?
N4 Yb2 O12 C45 -125.6(8) . . . . ?
Yb1 Yb2 O12 C45 4.3(7) . . . . ?
O8 Yb1 N1 C1 102.3(7) 2_566 . . . ?
O6 Yb1 N1 C1 -6.4(7) . . . . ?
O11 Yb1 N1 C1 44.9(8) . . . . ?
O9 Yb1 N1 C1 -96.1(7) . . . . ?
O2 Yb1 N1 C1 -157.8(6) . . . . ?
N2 Yb1 N1 C1 -177.2(7) . . . . ?
C25 Yb1 N1 C1 -120.3(7) . . . . ?
O1 Yb1 N1 C1 -79.8(7) . . . . ?
Yb2 Yb1 N1 C1 -43.8(7) . . . . ?
O8 Yb1 N1 C11 -71.4(6) 2_566 . . . ?
O6 Yb1 N1 C11 179.9(6) . . . . ?
O11 Yb1 N1 C11 -128.8(5) . . . . ?
O9 Yb1 N1 C11 90.2(6) . . . . ?
O2 Yb1 N1 C11 28.5(7) . . . . ?
N2 Yb1 N1 C11 9.1(5) . . . . ?
C25 Yb1 N1 C11 66.0(7) . . . . ?
O1 Yb1 N1 C11 106.5(6) . . . . ?
Yb2 Yb1 N1 C11 142.4(5) . . . . ?
O8 Yb1 N2 C10 -98.7(7) 2_566 . . . ?
O6 Yb1 N2 C10 163.3(6) . . . . ?
O11 Yb1 N2 C10 -43.5(8) . . . . ?
O9 Yb1 N2 C10 96.0(7) . . . . ?
O2 Yb1 N2 C10 10.8(6) . . . . ?
N1 Yb1 N2 C10 178.4(7) . . . . ?
C25 Yb1 N2 C10 28.0(7) . . . . ?
O1 Yb1 N2 C10 40.2(7) . . . . ?
Yb2 Yb1 N2 C10 65.7(7) . . . . ?
O8 Yb1 N2 C12 73.8(6) 2_566 . . . ?
O6 Yb1 N2 C12 -24.1(7) . . . . ?
O11 Yb1 N2 C12 129.1(5) . . . . ?
O9 Yb1 N2 C12 -91.5(6) . . . . ?
O2 Yb1 N2 C12 -176.6(6) . . . . ?
N1 Yb1 N2 C12 -9.0(5) . . . . ?
C25 Yb1 N2 C12 -159.4(6) . . . . ?
O1 Yb1 N2 C12 -147.3(5) . . . . ?
Yb2 Yb1 N2 C12 -121.8(5) . . . . ?
O3 Yb2 N3 C13 121.5(6) 2_665 . . . ?
O10 Yb2 N3 C13 32.7(8) . . . . ?
O5 Yb2 N3 C13 -22.1(6) . . . . ?
O1 Yb2 N3 C13 -143.4(6) . . . . ?
O12 Yb2 N3 C13 -96.8(6) . . . . ?
O13 Yb2 N3 C13 51.0(6) . . . . ?
N4 Yb2 N3 C13 -176.6(7) . . . . ?
Yb1 Yb2 N3 C13 -74.8(7) . . . . ?
O3 Yb2 N3 C23 -46.7(6) 2_665 . . . ?
O10 Yb2 N3 C23 -135.5(6) . . . . ?
O5 Yb2 N3 C23 169.8(6) . . . . ?
O1 Yb2 N3 C23 48.4(7) . . . . ?
O12 Yb2 N3 C23 95.1(6) . . . . ?
O13 Yb2 N3 C23 -117.2(6) . . . . ?
N4 Yb2 N3 C23 15.2(5) . . . . ?
Yb1 Yb2 N3 C23 117.1(5) . . . . ?
O3 Yb2 N4 C22 -70.7(7) 2_665 . . . ?
O10 Yb2 N4 C22 -25.7(8) . . . . ?
O5 Yb2 N4 C22 137.0(6) . . . . ?
O1 Yb2 N4 C22 19.1(7) . . . . ?
O12 Yb2 N4 C22 98.0(7) . . . . ?
O13 Yb2 N4 C22 -129.3(6) . . . . ?
N3 Yb2 N4 C22 177.7(7) . . . . ?
Yb1 Yb2 N4 C22 48.3(7) . . . . ?
O3 Yb2 N4 C24 96.6(6) 2_665 . . . ?
O10 Yb2 N4 C24 141.6(5) . . . . ?
O5 Yb2 N4 C24 -55.6(7) . . . . ?
O1 Yb2 N4 C24 -173.5(6) . . . . ?
O12 Yb2 N4 C24 -94.7(6) . . . . ?
O13 Yb2 N4 C24 38.0(6) . . . . ?
N3 Yb2 N4 C24 -14.9(5) . . . . ?
Yb1 Yb2 N4 C24 -144.4(5) . . . . ?
C11 N1 C1 C2 0.7(13) . . . . ?
Yb1 N1 C1 C2 -173.0(7) . . . . ?
N1 C1 C2 C3 1.3(17) . . . . ?
C1 C2 C3 C4 -2.4(17) . . . . ?
C2 C3 C4 C11 1.4(15) . . . . ?
C2 C3 C4 C5 -178.3(11) . . . . ?
C3 C4 C5 C6 177.9(11) . . . . ?
C11 C4 C5 C6 -1.8(16) . . . . ?
C4 C5 C6 C7 -0.5(17) . . . . ?
C5 C6 C7 C8 -178.8(10) . . . . ?
C5 C6 C7 C12 3.5(16) . . . . ?
C12 C7 C8 C9 -0.9(15) . . . . ?
C6 C7 C8 C9 -178.7(10) . . . . ?
C7 C8 C9 C10 0.8(16) . . . . ?
C12 N2 C10 C9 0.8(13) . . . . ?
Yb1 N2 C10 C9 173.3(7) . . . . ?
C8 C9 C10 N2 -0.8(16) . . . . ?
C1 N1 C11 C4 -1.7(12) . . . . ?
Yb1 N1 C11 C4 172.4(6) . . . . ?
C1 N1 C11 C12 177.4(8) . . . . ?
Yb1 N1 C11 C12 -8.5(9) . . . . ?
C3 C4 C11 N1 0.6(13) . . . . ?
C5 C4 C11 N1 -179.6(9) . . . . ?
C3 C4 C11 C12 -178.4(8) . . . . ?
C5 C4 C11 C12 1.4(13) . . . . ?
C10 N2 C12 C7 -0.9(12) . . . . ?
Yb1 N2 C12 C7 -173.9(7) . . . . ?
C10 N2 C12 C11 -178.2(7) . . . . ?
Yb1 N2 C12 C11 8.7(9) . . . . ?
C8 C7 C12 N2 0.9(14) . . . . ?
C6 C7 C12 N2 178.7(8) . . . . ?
C8 C7 C12 C11 178.3(8) . . . . ?
C6 C7 C12 C11 -3.9(14) . . . . ?
N1 C11 C12 N2 -0.2(11) . . . . ?
C4 C11 C12 N2 178.9(7) . . . . ?
N1 C11 C12 C7 -177.6(8) . . . . ?
C4 C11 C12 C7 1.4(12) . . . . ?
C23 N3 C13 C14 1.9(13) . . . . ?
Yb2 N3 C13 C14 -166.6(7) . . . . ?
N3 C13 C14 C15 1.9(16) . . . . ?
C13 C14 C15 C16 -4.0(17) . . . . ?
C14 C15 C16 C23 2.3(16) . . . . ?
C14 C15 C16 C17 -179.1(11) . . . . ?
C23 C16 C17 C18 -4.1(18) . . . . ?
C15 C16 C17 C18 177.4(12) . . . . ?
C16 C17 C18 C19 1.6(19) . . . . ?
C17 C18 C19 C20 179.9(11) . . . . ?
C17 C18 C19 C24 2.3(17) . . . . ?
C24 C19 C20 C21 -2.1(15) . . . . ?
C18 C19 C20 C21 -179.8(11) . . . . ?
C19 C20 C21 C22 3.4(16) . . . . ?
C24 N4 C22 C21 -0.2(13) . . . . ?
Yb2 N4 C22 C21 167.2(7) . . . . ?
C20 C21 C22 N4 -2.3(16) . . . . ?
C13 N3 C23 C16 -3.8(13) . . . . ?
Yb2 N3 C23 C16 165.1(7) . . . . ?
C13 N3 C23 C24 176.5(7) . . . . ?
Yb2 N3 C23 C24 -14.5(9) . . . . ?
C15 C16 C23 N3 1.7(15) . . . . ?
C17 C16 C23 N3 -176.9(9) . . . . ?
C15 C16 C23 C24 -178.6(9) . . . . ?
C17 C16 C23 C24 2.8(14) . . . . ?
C22 N4 C24 C19 1.6(13) . . . . ?
Yb2 N4 C24 C19 -166.6(7) . . . . ?
C22 N4 C24 C23 -177.7(8) . . . . ?
Yb2 N4 C24 C23 14.1(10) . . . . ?
C20 C19 C24 N4 -0.5(14) . . . . ?
C18 C19 C24 N4 177.3(9) . . . . ?
C20 C19 C24 C23 178.8(8) . . . . ?
C18 C19 C24 C23 -3.4(13) . . . . ?
N3 C23 C24 N4 -0.1(11) . . . . ?
C16 C23 C24 N4 -179.8(8) . . . . ?
N3 C23 C24 C19 -179.4(7) . . . . ?
C16 C23 C24 C19 0.9(13) . . . . ?
Yb1 O2 C25 O1 23.5(8) . . . . ?
Yb1 O2 C25 C26 -153.7(5) . . . . ?
Yb2 O1 C25 O2 -38(8) . . . . ?
Yb1 O1 C25 O2 -16.4(6) . . . . ?
Yb2 O1 C25 C26 139(7) . . . . ?
Yb1 O1 C25 C26 160.8(6) . . . . ?
Yb2 O1 C25 Yb1 -22(8) . . . . ?
O8 Yb1 C25 O2 26.8(6) 2_566 . . . ?
O6 Yb1 C25 O2 159.4(5) . . . . ?
O11 Yb1 C25 O2 91.9(5) . . . . ?
O9 Yb1 C25 O2 -123.5(5) . . . . ?
N2 Yb1 C25 O2 -48.0(5) . . . . ?
N1 Yb1 C25 O2 -98.1(6) . . . . ?
O1 Yb1 C25 O2 160.2(7) . . . . ?
Yb2 Yb1 C25 O2 161.1(5) . . . . ?
O8 Yb1 C25 O1 -133.4(4) 2_566 . . . ?
O6 Yb1 C25 O1 -0.8(4) . . . . ?
O11 Yb1 C25 O1 -68.4(4) . . . . ?
O9 Yb1 C25 O1 76.3(4) . . . . ?
O2 Yb1 C25 O1 -160.2(7) . . . . ?
N2 Yb1 C25 O1 151.7(4) . . . . ?
N1 Yb1 C25 O1 101.7(5) . . . . ?
Yb2 Yb1 C25 O1 0.9(3) . . . . ?
O8 Yb1 C25 C26 87.4(12) 2_566 . . . ?
O6 Yb1 C25 C26 -140.0(11) . . . . ?
O11 Yb1 C25 C26 152.5(12) . . . . ?
O9 Yb1 C25 C26 -62.9(11) . . . . ?
O2 Yb1 C25 C26 60.6(11) . . . . ?
N2 Yb1 C25 C26 12.6(12) . . . . ?
N1 Yb1 C25 C26 -37.5(13) . . . . ?
O1 Yb1 C25 C26 -139.2(14) . . . . ?
Yb2 Yb1 C25 C26 -138.3(12) . . . . ?
O2 C25 C26 C27 139.4(8) . . . . ?
O1 C25 C26 C27 -37.9(10) . . . . ?
Yb1 C25 C26 C27 95.1(13) . . . . ?
O2 C25 C26 C31 -39.1(10) . . . . ?
O1 C25 C26 C31 143.6(8) . . . . ?
Yb1 C25 C26 C31 -83.4(13) . . . . ?
C31 C26 C27 C28 -1.6(13) . . . . ?
C25 C26 C27 C28 180.0(7) . . . . ?
C26 C27 C28 C29 -2.9(13) . . . . ?
C27 C28 C29 C30 4.1(13) . . . . ?
C27 C28 C29 C32 -177.2(7) . . . . ?
C28 C29 C30 C31 -0.9(14) . . . . ?
C32 C29 C30 C31 -179.6(8) . . . . ?
C27 C26 C31 C30 4.7(13) . . . . ?
C25 C26 C31 C30 -176.8(8) . . . . ?
C29 C30 C31 C26 -3.5(14) . . . . ?
Yb2 O3 C32 O4 -1.8(14) 2_665 . . . ?
Yb2 O3 C32 C29 177.2(5) 2_665 . . . ?
C30 C29 C32 O4 3.7(11) . . . . ?
C28 C29 C32 O4 -175.1(8) . . . . ?
C30 C29 C32 O3 -175.4(8) . . . . ?
C28 C29 C32 O3 5.8(10) . . . . ?
Yb2 O5 C33 O6 -15.7(11) . . . . ?
Yb2 O5 C33 C34 161.7(5) . . . . ?
Yb1 O6 C33 O5 21.9(18) . . . . ?
Yb1 O6 C33 C34 -155.5(10) . . . . ?
O5 C33 C34 C35 42.2(13) . . . . ?
O6 C33 C34 C35 -140.2(10) . . . . ?
O5 C33 C34 C39 -134.1(11) . . . . ?
O6 C33 C34 C39 43.4(13) . . . . ?
C39 C34 C35 C36 -4(2) . . . . ?
C33 C34 C35 C36 179.1(12) . . . . ?
C34 C35 C36 C37 5(2) . . . . ?
C35 C36 C37 C38 0(2) . . . . ?
C35 C36 C37 C40 172.5(12) . . . . ?
C36 C37 C38 C39 -5(2) . . . . ?
C40 C37 C38 C39 -178.0(12) . . . . ?
C35 C34 C39 C38 -1(2) . . . . ?
C33 C34 C39 C38 175.5(13) . . . . ?
C37 C38 C39 C34 6(2) . . . . ?
Yb1 O8 C40 O7 99(2) 2_566 . . . ?
Yb1 O8 C40 C37 -82(2) 2_566 . . . ?
C36 C37 C40 O7 0.0(13) . . . . ?
C38 C37 C40 O7 172.7(10) . . . . ?
C36 C37 C40 O8 -178.7(10) . . . . ?
C38 C37 C40 O8 -6.1(13) . . . . ?
Yb2 O10 C41 O9 49.5(11) . . . . ?
Yb2 O10 C41 C42 -130.5(7) . . . . ?
Yb1 O9 C41 O10 -11.2(11) . . . . ?
Yb1 O9 C41 C42 168.8(4) . . . . ?
O10 C41 C42 C44 4.9(10) . . . 2_565 ?
O9 C41 C42 C44 -175.1(6) . . . 2_565 ?
O10 C41 C42 C43 -175.8(7) . . . . ?
O9 C41 C42 C43 4.2(10) . . . . ?
C44 C42 C43 C44 -0.2(12) 2_565 . . . ?
C41 C42 C43 C44 -179.6(6) . . . . ?
C42 C43 C44 C42 0.2(12) . . . 2_565 ?
Yb2 O12 C45 O11 8.3(13) . . . . ?
Yb2 O12 C45 C46 -173.1(5) . . . . ?
Yb1 O11 C45 O12 -29.6(12) . . . . ?
Yb1 O11 C45 C46 151.7(5) . . . . ?
O12 C45 C46 C47 0.7(10) . . . . ?
O11 C45 C46 C47 179.5(7) . . . . ?
O12 C45 C46 C48 177.7(7) . . . 2_666 ?
O11 C45 C46 C48 -3.6(10) . . . 2_666 ?
C48 C46 C47 C48 3.7(12) 2_666 . . . ?
C45 C46 C47 C48 -179.3(7) . . . . ?
C46 C47 C48 C46 -3.8(12) . . . 2_666 ?
