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#$Date: 2025-08-20 22:19:29 +0300 (Wed, 20 Aug 2025) $
#$Revision: 301836 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/30/51/4305132.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_4305132
loop_
_publ_author_name
'Yunjun Wu'
'Shaowu Wang'
'Xiancui Zhu'
'Gaosheng Yang'
'Yun Wei'
'Lijun Zhang'
'Hai-bin Song'
_publ_section_title
;
Synthesis, Characterization, and Catalytic Activity of Rare Earth Metal
Amides Supported by a Diamido Ligand with a CH2SiMe2 Link
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5503
_journal_page_last               5511
_journal_paper_doi               10.1021/ic800496d
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         'C60 H20 N4 O4 Si Yb'
_chemical_formula_sum            'C37 H68 N3 O Si3 Yb'
_chemical_formula_weight         828.25
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   11.037(8)
_cell_length_b                   21.149(14)
_cell_length_c                   36.69(2)
_cell_measurement_reflns_used    20443
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      28.0
_cell_measurement_theta_min      1.5
_cell_volume                     8564(10)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalClear
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  confocal
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0737
_diffrn_reflns_av_sigmaI/netI    0.0731
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       48
_diffrn_reflns_limit_l_min       -48
_diffrn_reflns_number            76435
_diffrn_reflns_theta_full        27.93
_diffrn_reflns_theta_max         27.93
_diffrn_reflns_theta_min         1.47
_exptl_absorpt_coefficient_mu    2.297
_exptl_absorpt_correction_T_max  0.6087
_exptl_absorpt_correction_T_min  0.5089
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'numabs (rigaku, 2005)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.285
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3448
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.840
_refine_diff_density_min         -0.790
_refine_diff_density_rms         0.102
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.006(6)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     833
_refine_ls_number_reflns         20420
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0474
_refine_ls_R_factor_gt           0.0425
_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)+(0.0041P)²+2.5583P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0743
_refine_ls_wR_factor_ref         0.0765
_reflns_number_gt                19049
_reflns_number_total             20420
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic800496d-file002_1.cif
_cod_data_source_block           shelxl
_cod_original_cell_volume        8565(10)
_cod_database_code               4305132
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x+1/2, -y, 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 0.279203(18) 0.297629(9) 0.253646(5) 0.01990(5) Uani 1 1 d . . .
Yb2 Yb 0.566232(19) 0.014925(10) 0.492489(5) 0.02218(5) Uani 1 1 d . . .
Si1 Si 0.10371(12) 0.15742(6) 0.26124(4) 0.0244(3) Uani 1 1 d . . .
Si2 Si 0.24901(14) 0.20424(7) 0.32399(4) 0.0326(3) Uani 1 1 d . . .
Si3 Si 0.47802(16) 0.37613(9) 0.20915(5) 0.0430(4) Uani 1 1 d . . .
Si4 Si 0.37763(16) -0.11348(8) 0.48938(5) 0.0417(4) Uani 1 1 d . . .
Si5 Si 0.30543(13) 0.00123(7) 0.44610(4) 0.0324(4) Uani 1 1 d . . .
Si6 Si 0.76236(13) 0.06627(6) 0.54658(4) 0.0226(3) Uani 1 1 d . . .
N1 N 0.1995(4) 0.21297(17) 0.28001(10) 0.0226(9) Uani 1 1 d . . .
N2 N 0.4655(3) 0.33209(18) 0.24883(11) 0.0254(9) Uani 1 1 d . . .
N3 N 0.2398(4) 0.32392(18) 0.19882(10) 0.0243(9) Uani 1 1 d . . .
N4 N 0.4010(4) -0.0371(2) 0.47504(11) 0.0291(10) Uani 1 1 d . . .
N5 N 0.6493(3) 0.01078(19) 0.54637(10) 0.0223(8) Uani 1 1 d . . .
N6 N 0.6372(4) 0.10563(19) 0.48010(10) 0.0236(9) Uani 1 1 d . . .
O1 O 0.1926(3) 0.37938(18) 0.28407(10) 0.0373(10) Uani 1 1 d . . .
O2 O 0.7018(3) -0.04653(18) 0.46206(10) 0.0379(10) Uani 1 1 d . . .
C1 C 0.1891(5) 0.0868(2) 0.24411(16) 0.0369(13) Uani 1 1 d . . .
H1A H 0.2512 0.1006 0.2267 0.055 Uiso 1 1 calc R . .
H1B H 0.1329 0.0578 0.2320 0.055 Uiso 1 1 calc R . .
H1C H 0.2278 0.0652 0.2647 0.055 Uiso 1 1 calc R . .
C2 C -0.0095(5) 0.1248(3) 0.29475(15) 0.0331(13) Uani 1 1 d . . .
H2A H 0.0333 0.1025 0.3143 0.050 Uiso 1 1 calc R . .
H2B H -0.0640 0.0954 0.2822 0.050 Uiso 1 1 calc R . .
H2C H -0.0569 0.1596 0.3052 0.050 Uiso 1 1 calc R . .
C3 C 0.0160(5) 0.1898(3) 0.22231(14) 0.0321(13) Uani 1 1 d . . .
H3A H -0.0364 0.2241 0.2309 0.048 Uiso 1 1 calc R . .
H3B H -0.0339 0.1562 0.2116 0.048 Uiso 1 1 calc R . .
H3C H 0.0719 0.2061 0.2038 0.048 Uiso 1 1 calc R . .
C4 C 0.3151(6) 0.1250(3) 0.33438(16) 0.0521(18) Uani 1 1 d . . .
H4A H 0.2503 0.0933 0.3351 0.078 Uiso 1 1 calc R . .
H4B H 0.3560 0.1264 0.3581 0.078 Uiso 1 1 calc R . .
H4C H 0.3738 0.1136 0.3154 0.078 Uiso 1 1 calc R . .
C5 C 0.1308(6) 0.2200(3) 0.35926(15) 0.0505(18) Uani 1 1 d . . .
H5A H 0.0866 0.2587 0.3530 0.076 Uiso 1 1 calc R . .
H5B H 0.1696 0.2253 0.3831 0.076 Uiso 1 1 calc R . .
H5C H 0.0741 0.1844 0.3602 0.076 Uiso 1 1 calc R . .
C6 C 0.3721(5) 0.2641(3) 0.33166(14) 0.0417(15) Uani 1 1 d . . .
H6A H 0.4076 0.2578 0.3559 0.063 Uiso 1 1 calc R . .
H6B H 0.3379 0.3068 0.3301 0.063 Uiso 1 1 calc R . .
H6C H 0.4350 0.2589 0.3130 0.063 Uiso 1 1 calc R . .
C7 C 0.3233(5) 0.3780(3) 0.18922(15) 0.0399(15) Uani 1 1 d . . .
H7A H 0.2838 0.4179 0.1969 0.048 Uiso 1 1 calc R . .
H7B H 0.3313 0.3795 0.1624 0.048 Uiso 1 1 calc R . .
C8 C 0.5843(6) 0.3417(4) 0.17498(16) 0.074(3) Uani 1 1 d . . .
H8A H 0.6641 0.3356 0.1862 0.111 Uiso 1 1 calc R . .
H8B H 0.5917 0.3704 0.1542 0.111 Uiso 1 1 calc R . .
H8C H 0.5530 0.3008 0.1666 0.111 Uiso 1 1 calc R . .
C9 C 0.5241(7) 0.4608(3) 0.2134(2) 0.074(3) Uani 1 1 d . . .
H9A H 0.4756 0.4812 0.2324 0.110 Uiso 1 1 calc R . .
H9B H 0.5109 0.4824 0.1901 0.110 Uiso 1 1 calc R . .
H9C H 0.6101 0.4631 0.2199 0.110 Uiso 1 1 calc R . .
C10 C 0.5740(5) 0.3124(2) 0.26710(13) 0.0260(11) Uani 1 1 d . . .
C11 C 0.6260(4) 0.3498(2) 0.29542(13) 0.0235(10) Uani 1 1 d . . .
C12 C 0.7275(5) 0.3277(3) 0.31342(13) 0.0331(12) Uani 1 1 d . . .
H12 H 0.7629 0.3536 0.3317 0.040 Uiso 1 1 calc R . .
C13 C 0.7801(5) 0.2698(3) 0.30613(14) 0.0378(13) Uani 1 1 d . . .
H13 H 0.8496 0.2559 0.3191 0.045 Uiso 1 1 calc R . .
C14 C 0.7282(5) 0.2330(3) 0.27940(14) 0.0352(12) Uani 1 1 d . . .
H14 H 0.7621 0.1926 0.2743 0.042 Uiso 1 1 calc R . .
C15 C 0.6270(4) 0.2532(2) 0.25948(13) 0.0288(11) Uani 1 1 d . . .
C16 C 0.5761(5) 0.4133(2) 0.30585(13) 0.0310(12) Uani 1 1 d . . .
H16 H 0.5044 0.4221 0.2900 0.037 Uiso 1 1 calc R . .
C17 C 0.6677(6) 0.4663(3) 0.30009(16) 0.0457(16) Uani 1 1 d . . .
H17A H 0.7344 0.4615 0.3175 0.068 Uiso 1 1 calc R . .
H17B H 0.6281 0.5072 0.3039 0.068 Uiso 1 1 calc R . .
H17C H 0.6996 0.4641 0.2752 0.068 Uiso 1 1 calc R . .
C18 C 0.5338(6) 0.4153(3) 0.34577(15) 0.0404(15) Uani 1 1 d . . .
H18A H 0.4751 0.3814 0.3501 0.061 Uiso 1 1 calc R . .
H18B H 0.4956 0.4563 0.3508 0.061 Uiso 1 1 calc R . .
H18C H 0.6037 0.4097 0.3619 0.061 Uiso 1 1 calc R . .
C19 C 0.5759(5) 0.2095(3) 0.23011(15) 0.0422(14) Uani 1 1 d . . .
H19 H 0.5136 0.2337 0.2160 0.051 Uiso 1 1 calc R . .
C20 C 0.5149(6) 0.1520(3) 0.2465(2) 0.0580(18) Uiso 1 1 d . . .
H20A H 0.5682 0.1332 0.2649 0.087 Uiso 1 1 calc R . .
H20B H 0.4988 0.1209 0.2273 0.087 Uiso 1 1 calc R . .
H20C H 0.4384 0.1646 0.2579 0.087 Uiso 1 1 calc R . .
C21 C 0.6757(7) 0.1869(3) 0.20287(19) 0.065(2) Uiso 1 1 d . . .
H21A H 0.7223 0.2234 0.1943 0.097 Uiso 1 1 calc R . .
H21B H 0.6373 0.1659 0.1820 0.097 Uiso 1 1 calc R . .
H21C H 0.7300 0.1571 0.2152 0.097 Uiso 1 1 calc R . .
C22 C 0.1564(5) 0.3081(2) 0.17054(13) 0.0232(10) Uani 1 1 d . . .
C23 C 0.0413(4) 0.3367(2) 0.16860(14) 0.0261(11) Uani 1 1 d . . .
C24 C -0.0392(5) 0.3181(3) 0.14152(15) 0.0369(14) Uani 1 1 d . . .
H24 H -0.1174 0.3367 0.1404 0.044 Uiso 1 1 calc R . .
C25 C -0.0069(5) 0.2727(3) 0.11605(15) 0.0383(14) Uani 1 1 d . . .
H25 H -0.0632 0.2599 0.0979 0.046 Uiso 1 1 calc R . .
C26 C 0.1066(5) 0.2462(2) 0.11713(13) 0.0313(13) Uani 1 1 d . . .
H26 H 0.1285 0.2155 0.0994 0.038 Uiso 1 1 calc R . .
C27 C 0.1907(5) 0.2638(2) 0.14388(13) 0.0286(12) Uani 1 1 d . . .
C28 C 0.0037(5) 0.3868(3) 0.19573(16) 0.0346(13) Uani 1 1 d . . .
H28 H 0.0766 0.3963 0.2110 0.042 Uiso 1 1 calc R . .
C29 C -0.0331(12) 0.4478(4) 0.1781(2) 0.141(6) Uani 1 1 d . . .
H29A H -0.1036 0.4405 0.1624 0.212 Uiso 1 1 calc R . .
H29B H 0.0342 0.4641 0.1634 0.212 Uiso 1 1 calc R . .
H29C H -0.0541 0.4787 0.1969 0.212 Uiso 1 1 calc R . .
C30 C -0.0935(10) 0.3658(5) 0.2213(3) 0.158(6) Uani 1 1 d . . .
H30A H -0.1701 0.3619 0.2080 0.238 Uiso 1 1 calc R . .
H30B H -0.1026 0.3971 0.2408 0.238 Uiso 1 1 calc R . .
H30C H -0.0716 0.3248 0.2318 0.238 Uiso 1 1 calc R . .
C31 C 0.3184(5) 0.2353(3) 0.14297(15) 0.0346(13) Uani 1 1 d . . .
H31 H 0.3654 0.2548 0.1634 0.042 Uiso 1 1 calc R . .
C32 C 0.3861(6) 0.2500(3) 0.10749(17) 0.060(2) Uani 1 1 d . . .
H32A H 0.4704 0.2359 0.1096 0.090 Uiso 1 1 calc R . .
H32B H 0.3844 0.2957 0.1030 0.090 Uiso 1 1 calc R . .
H32C H 0.3469 0.2280 0.0872 0.090 Uiso 1 1 calc R . .
C33 C 0.3181(6) 0.1643(3) 0.1492(2) 0.058(2) Uani 1 1 d . . .
H33A H 0.2794 0.1432 0.1284 0.087 Uiso 1 1 calc R . .
H33B H 0.2730 0.1546 0.1715 0.087 Uiso 1 1 calc R . .
H33C H 0.4017 0.1492 0.1516 0.087 Uiso 1 1 calc R . .
C34 C 0.0872(8) 0.3789(4) 0.3062(3) 0.104(4) Uani 1 1 d . . .
H34A H 0.1043 0.3583 0.3298 0.124 Uiso 1 1 calc R . .
H34B H 0.0211 0.3555 0.2939 0.124 Uiso 1 1 calc R . .
C35 C 0.0516(11) 0.4468(4) 0.3118(3) 0.152(6) Uani 1 1 d . . .
H35A H -0.0305 0.4547 0.3020 0.183 Uiso 1 1 calc R . .
H35B H 0.0516 0.4573 0.3381 0.183 Uiso 1 1 calc R . .
C36 C 0.1343(10) 0.4823(5) 0.2940(3) 0.144(5) Uani 1 1 d . . .
H36A H 0.1660 0.5153 0.3106 0.172 Uiso 1 1 calc R . .
H36B H 0.0948 0.5038 0.2732 0.172 Uiso 1 1 calc R . .
C37 C 0.2310(7) 0.4453(3) 0.2811(3) 0.109(4) Uani 1 1 d . . .
H37A H 0.3045 0.4527 0.2960 0.131 Uiso 1 1 calc R . .
H37B H 0.2495 0.4560 0.2554 0.131 Uiso 1 1 calc R . .
C38 C 0.5222(6) -0.1463(3) 0.5083(2) 0.062(2) Uani 1 1 d . . .
H38A H 0.5830 -0.1488 0.4889 0.093 Uiso 1 1 calc R . .
H38B H 0.5074 -0.1887 0.5182 0.093 Uiso 1 1 calc R . .
H38C H 0.5518 -0.1186 0.5278 0.093 Uiso 1 1 calc R . .
C39 C 0.2607(7) -0.1209(3) 0.52660(19) 0.074(2) Uani 1 1 d . . .
H39A H 0.2911 -0.1008 0.5489 0.111 Uiso 1 1 calc R . .
H39B H 0.2447 -0.1657 0.5314 0.111 Uiso 1 1 calc R . .
H39C H 0.1856 -0.1001 0.5189 0.111 Uiso 1 1 calc R . .
C40 C 0.3275(7) -0.1680(3) 0.45202(19) 0.064(2) Uani 1 1 d . . .
H40A H 0.2447 -0.1572 0.4447 0.096 Uiso 1 1 calc R . .
H40B H 0.3298 -0.2117 0.4608 0.096 Uiso 1 1 calc R . .
H40C H 0.3819 -0.1635 0.4311 0.096 Uiso 1 1 calc R . .
C41 C 0.1422(5) -0.0040(4) 0.45945(18) 0.062(2) Uani 1 1 d . . .
H41A H 0.1190 -0.0485 0.4620 0.092 Uiso 1 1 calc R . .
H41B H 0.0922 0.0160 0.4406 0.092 Uiso 1 1 calc R . .
H41C H 0.1300 0.0179 0.4827 0.092 Uiso 1 1 calc R . .
C42 C 0.3494(6) 0.0862(3) 0.44534(17) 0.0518(17) Uani 1 1 d . . .
H42A H 0.3492 0.1029 0.4703 0.078 Uiso 1 1 calc R . .
H42B H 0.2914 0.1099 0.4305 0.078 Uiso 1 1 calc R . .
H42C H 0.4307 0.0904 0.4349 0.078 Uiso 1 1 calc R . .
C43 C 0.3139(6) -0.0275(3) 0.39822(15) 0.0511(18) Uani 1 1 d . . .
H43A H 0.3972 -0.0234 0.3893 0.077 Uiso 1 1 calc R . .
H43B H 0.2596 -0.0023 0.3829 0.077 Uiso 1 1 calc R . .
H43C H 0.2894 -0.0720 0.3973 0.077 Uiso 1 1 calc R . .
C44 C 0.7561(4) 0.1050(2) 0.49949(12) 0.0263(11) Uani 1 1 d . . .
H44A H 0.7835 0.1494 0.5021 0.032 Uiso 1 1 calc R . .
H44B H 0.8155 0.0832 0.4837 0.032 Uiso 1 1 calc R . .
C45 C 0.7414(5) 0.1265(2) 0.58320(14) 0.0372(14) Uani 1 1 d . . .
H45A H 0.6691 0.1519 0.5780 0.056 Uiso 1 1 calc R . .
H45B H 0.8126 0.1542 0.5842 0.056 Uiso 1 1 calc R . .
H45C H 0.7314 0.1052 0.6067 0.056 Uiso 1 1 calc R . .
C46 C 0.9260(5) 0.0409(2) 0.55089(14) 0.0308(11) Uani 1 1 d . . .
H46A H 0.9442 0.0315 0.5765 0.046 Uiso 1 1 calc R . .
H46B H 0.9789 0.0750 0.5423 0.046 Uiso 1 1 calc R . .
H46C H 0.9397 0.0029 0.5361 0.046 Uiso 1 1 calc R . .
C47 C 0.5914(5) -0.0173(3) 0.57667(13) 0.0299(12) Uani 1 1 d . . .
C48 C 0.4736(5) 0.0027(3) 0.58745(13) 0.0328(13) Uani 1 1 d . . .
C49 C 0.4127(6) -0.0308(3) 0.61559(15) 0.0458(16) Uani 1 1 d . . .
H49 H 0.3331 -0.0187 0.6225 0.055 Uiso 1 1 calc R . .
C50 C 0.4679(7) -0.0801(3) 0.63281(15) 0.0518(19) Uani 1 1 d . . .
H50 H 0.4264 -0.1018 0.6518 0.062 Uiso 1 1 calc R . .
C51 C 0.5824(7) -0.0991(3) 0.62322(16) 0.0498(17) Uani 1 1 d . . .
H51 H 0.6190 -0.1333 0.6359 0.060 Uiso 1 1 calc R . .
C52 C 0.6458(6) -0.0695(3) 0.59553(15) 0.0381(14) Uani 1 1 d . . .
C53 C 0.4127(5) 0.0612(3) 0.57201(15) 0.0391(14) Uani 1 1 d . . .
H53 H 0.4647 0.0776 0.5518 0.047 Uiso 1 1 calc R . .
C54 C 0.2849(6) 0.0492(3) 0.55638(17) 0.0576(18) Uani 1 1 d . . .
H54A H 0.2902 0.0191 0.5361 0.086 Uiso 1 1 calc R . .
H54B H 0.2506 0.0891 0.5476 0.086 Uiso 1 1 calc R . .
H54C H 0.2327 0.0317 0.5755 0.086 Uiso 1 1 calc R . .
C55 C 0.4033(6) 0.1131(3) 0.60114(17) 0.0526(18) Uani 1 1 d . . .
H55A H 0.3448 0.1003 0.6198 0.079 Uiso 1 1 calc R . .
H55B H 0.3762 0.1526 0.5898 0.079 Uiso 1 1 calc R . .
H55C H 0.4828 0.1196 0.6124 0.079 Uiso 1 1 calc R . .
C56 C 0.7730(6) -0.0897(3) 0.58665(17) 0.0425(15) Uani 1 1 d . . .
H56 H 0.7989 -0.0672 0.5640 0.051 Uiso 1 1 calc R . .
C57 C 0.7853(7) -0.1615(3) 0.5799(2) 0.069(2) Uani 1 1 d . . .
H57A H 0.7704 -0.1843 0.6028 0.104 Uiso 1 1 calc R . .
H57B H 0.8673 -0.1709 0.5712 0.104 Uiso 1 1 calc R . .
H57C H 0.7260 -0.1748 0.5616 0.104 Uiso 1 1 calc R . .
C58 C 0.8599(7) -0.0705(3) 0.61788(19) 0.070(3) Uani 1 1 d . . .
H58A H 0.8540 -0.0248 0.6220 0.105 Uiso 1 1 calc R . .
H58B H 0.9432 -0.0814 0.6112 0.105 Uiso 1 1 calc R . .
H58C H 0.8374 -0.0930 0.6402 0.105 Uiso 1 1 calc R . .
C59 C 0.6228(5) 0.1618(3) 0.45867(14) 0.0318(12) Uani 1 1 d . . .
C60 C 0.6588(6) 0.1629(3) 0.42233(15) 0.0418(15) Uani 1 1 d . . .
C61 C 0.6411(6) 0.2184(3) 0.40174(17) 0.055(2) Uani 1 1 d . . .
H61 H 0.6656 0.2196 0.3769 0.067 Uiso 1 1 calc R . .
C62 C 0.5893(7) 0.2705(3) 0.41710(19) 0.062(2) Uani 1 1 d . . .
H62 H 0.5774 0.3075 0.4029 0.075 Uiso 1 1 calc R . .
C63 C 0.5542(6) 0.2696(3) 0.45290(19) 0.0546(18) Uani 1 1 d . . .
H63 H 0.5186 0.3065 0.4631 0.065 Uiso 1 1 calc R . .
C64 C 0.5692(6) 0.2166(2) 0.47491(15) 0.0385(14) Uani 1 1 d . . .
C65 C 0.7221(6) 0.1074(3) 0.40489(14) 0.0454(16) Uani 1 1 d . . .
H65 H 0.7191 0.0717 0.4227 0.055 Uiso 1 1 calc R . .
C66 C 0.6603(7) 0.0843(4) 0.36989(17) 0.069(2) Uani 1 1 d . . .
H66A H 0.5762 0.0727 0.3752 0.104 Uiso 1 1 calc R . .
H66B H 0.7036 0.0473 0.3604 0.104 Uiso 1 1 calc R . .
H66C H 0.6616 0.1181 0.3516 0.104 Uiso 1 1 calc R . .
C67 C 0.8566(6) 0.1211(4) 0.39720(19) 0.075(3) Uani 1 1 d . . .
H67A H 0.8632 0.1561 0.3798 0.112 Uiso 1 1 calc R . .
H67B H 0.8949 0.0833 0.3869 0.112 Uiso 1 1 calc R . .
H67C H 0.8974 0.1325 0.4200 0.112 Uiso 1 1 calc R . .
C68 C 0.5312(5) 0.2186(3) 0.51431(16) 0.0432(15) Uani 1 1 d . . .
H68 H 0.5578 0.1781 0.5259 0.052 Uiso 1 1 calc R . .
C69 C 0.3932(6) 0.2230(3) 0.5184(2) 0.064(2) Uani 1 1 d . . .
H69A H 0.3627 0.2579 0.5034 0.096 Uiso 1 1 calc R . .
H69B H 0.3726 0.2305 0.5440 0.096 Uiso 1 1 calc R . .
H69C H 0.3561 0.1833 0.5103 0.096 Uiso 1 1 calc R . .
C70 C 0.5919(7) 0.2726(3) 0.53489(19) 0.066(2) Uani 1 1 d . . .
H70A H 0.6800 0.2686 0.5328 0.099 Uiso 1 1 calc R . .
H70B H 0.5685 0.2709 0.5606 0.099 Uiso 1 1 calc R . .
H70C H 0.5661 0.3131 0.5244 0.099 Uiso 1 1 calc R . .
C71 C 0.6848(5) -0.0683(3) 0.42449(16) 0.0465(17) Uani 1 1 d . . .
H71A H 0.6562 -0.0335 0.4087 0.056 Uiso 1 1 calc R . .
H71B H 0.6257 -0.1035 0.4234 0.056 Uiso 1 1 calc R . .
C72 C 0.8085(6) -0.0901(4) 0.41323(18) 0.060(2) Uani 1 1 d . . .
H72A H 0.8036 -0.1223 0.3937 0.072 Uiso 1 1 calc R . .
H72B H 0.8587 -0.0543 0.4046 0.072 Uiso 1 1 calc R . .
C73 C 0.8581(6) -0.1175(3) 0.44740(19) 0.064(2) Uani 1 1 d . . .
H73A H 0.9476 -0.1202 0.4465 0.077 Uiso 1 1 calc R . .
H73B H 0.8245 -0.1602 0.4520 0.077 Uiso 1 1 calc R . .
C74 C 0.8166(5) -0.0706(3) 0.47641(18) 0.0540(19) Uani 1 1 d . . .
H74A H 0.8046 -0.0919 0.5002 0.065 Uiso 1 1 calc R . .
H74B H 0.8762 -0.0361 0.4794 0.065 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Si Si 0.0817 0.0704 '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
N3 Yb1 N2 91.64(16) . . ?
N3 Yb1 N1 122.78(14) . . ?
N2 Yb1 N1 132.60(15) . . ?
N3 Yb1 O1 100.34(15) . . ?
N2 Yb1 O1 100.47(15) . . ?
N1 Yb1 O1 103.51(14) . . ?
N6 Yb2 N5 94.31(15) . . ?
N6 Yb2 N4 133.54(15) . . ?
N5 Yb2 N4 125.86(15) . . ?
N6 Yb2 O2 99.70(15) . . ?
N5 Yb2 O2 98.35(15) . . ?
N4 Yb2 O2 96.60(15) . . ?
N1 Si1 C3 112.1(2) . . ?
N1 Si1 C1 111.6(2) . . ?
C3 Si1 C1 107.3(3) . . ?
N1 Si1 C2 113.3(2) . . ?
C3 Si1 C2 106.9(2) . . ?
C1 Si1 C2 105.1(2) . . ?
N1 Si2 C5 114.2(3) . . ?
N1 Si2 C4 114.4(2) . . ?
C5 Si2 C4 107.0(3) . . ?
N1 Si2 C6 107.4(2) . . ?
C5 Si2 C6 106.3(3) . . ?
C4 Si2 C6 107.0(3) . . ?
N2 Si3 C7 105.6(2) . . ?
N2 Si3 C8 113.9(3) . . ?
C7 Si3 C8 108.8(3) . . ?
N2 Si3 C9 117.8(3) . . ?
C7 Si3 C9 105.2(3) . . ?
C8 Si3 C9 105.0(4) . . ?
N4 Si4 C38 109.5(2) . . ?
N4 Si4 C40 113.5(3) . . ?
C38 Si4 C40 107.1(3) . . ?
N4 Si4 C39 113.8(3) . . ?
C38 Si4 C39 106.5(3) . . ?
C40 Si4 C39 106.0(3) . . ?
N4 Si5 C42 107.9(3) . . ?
N4 Si5 C43 113.7(3) . . ?
C42 Si5 C43 106.8(3) . . ?
N4 Si5 C41 113.9(3) . . ?
C42 Si5 C41 108.2(3) . . ?
C43 Si5 C41 106.0(3) . . ?
N5 Si6 C45 112.4(2) . . ?
N5 Si6 C46 120.1(2) . . ?
C45 Si6 C46 104.6(2) . . ?
N5 Si6 C44 105.26(19) . . ?
C45 Si6 C44 110.7(2) . . ?
C46 Si6 C44 103.4(2) . . ?
Si2 N1 Si1 119.9(2) . . ?
Si2 N1 Yb1 111.81(19) . . ?
Si1 N1 Yb1 128.3(2) . . ?
C10 N2 Si3 118.8(3) . . ?
C10 N2 Yb1 130.6(3) . . ?
Si3 N2 Yb1 108.74(19) . . ?
C22 N3 C7 113.6(4) . . ?
C22 N3 Yb1 139.2(3) . . ?
C7 N3 Yb1 107.1(3) . . ?
Si5 N4 Si4 123.1(2) . . ?
Si5 N4 Yb2 116.8(2) . . ?
Si4 N4 Yb2 120.0(2) . . ?
C47 N5 Si6 127.9(3) . . ?
C47 N5 Yb2 122.7(3) . . ?
Si6 N5 Yb2 106.43(18) . . ?
C59 N6 C44 111.5(4) . . ?
C59 N6 Yb2 145.7(3) . . ?
C44 N6 Yb2 102.4(3) . . ?
C34 O1 C37 106.7(5) . . ?
C34 O1 Yb1 128.4(4) . . ?
C37 O1 Yb1 124.6(4) . . ?
C74 O2 C71 109.8(4) . . ?
C74 O2 Yb2 126.3(3) . . ?
C71 O2 Yb2 123.9(3) . . ?
Si1 C1 H1A 109.5 . . ?
Si1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
Si1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
Si1 C2 H2A 109.5 . . ?
Si1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
Si1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
Si1 C3 H3A 109.5 . . ?
Si1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
Si1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
Si2 C4 H4A 109.5 . . ?
Si2 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
Si2 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
Si2 C5 H5A 109.5 . . ?
Si2 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
Si2 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Si2 C6 H6A 109.5 . . ?
Si2 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
Si2 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
N3 C7 Si3 116.9(3) . . ?
N3 C7 H7A 108.1 . . ?
Si3 C7 H7A 108.1 . . ?
N3 C7 H7B 108.1 . . ?
Si3 C7 H7B 108.1 . . ?
H7A C7 H7B 107.3 . . ?
Si3 C8 H8A 109.5 . . ?
Si3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
Si3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Si3 C9 H9A 109.5 . . ?
Si3 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
Si3 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C15 C10 C11 118.0(5) . . ?
C15 C10 N2 120.7(4) . . ?
C11 C10 N2 121.1(4) . . ?
C12 C11 C10 119.2(5) . . ?
C12 C11 C16 118.5(5) . . ?
C10 C11 C16 122.3(5) . . ?
C13 C12 C11 123.2(5) . . ?
C13 C12 H12 118.4 . . ?
C11 C12 H12 118.4 . . ?
C14 C13 C12 117.7(5) . . ?
C14 C13 H13 121.1 . . ?
C12 C13 H13 121.1 . . ?
C13 C14 C15 122.0(5) . . ?
C13 C14 H14 119.0 . . ?
C15 C14 H14 119.0 . . ?
C14 C15 C10 119.8(5) . . ?
C14 C15 C19 118.6(5) . . ?
C10 C15 C19 121.6(5) . . ?
C11 C16 C17 112.3(5) . . ?
C11 C16 C18 112.3(4) . . ?
C17 C16 C18 108.3(4) . . ?
C11 C16 H16 108.0 . . ?
C17 C16 H16 108.0 . . ?
C18 C16 H16 108.0 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 C15 111.7(5) . . ?
C20 C19 C21 108.7(5) . . ?
C15 C19 C21 112.1(5) . . ?
C20 C19 H19 108.1 . . ?
C15 C19 H19 108.1 . . ?
C21 C19 H19 108.1 . . ?
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 . . ?
C27 C22 C23 119.6(5) . . ?
C27 C22 N3 119.2(4) . . ?
C23 C22 N3 121.2(4) . . ?
C24 C23 C22 119.4(5) . . ?
C24 C23 C28 119.6(5) . . ?
C22 C23 C28 121.0(5) . . ?
C25 C24 C23 120.9(5) . . ?
C25 C24 H24 119.5 . . ?
C23 C24 H24 119.5 . . ?
C26 C25 C24 119.9(5) . . ?
C26 C25 H25 120.1 . . ?
C24 C25 H25 120.1 . . ?
C25 C26 C27 121.1(5) . . ?
C25 C26 H26 119.4 . . ?
C27 C26 H26 119.4 . . ?
C26 C27 C22 119.1(5) . . ?
C26 C27 C31 119.3(5) . . ?
C22 C27 C31 121.6(5) . . ?
C30 C28 C29 109.4(8) . . ?
C30 C28 C23 113.8(5) . . ?
C29 C28 C23 113.1(5) . . ?
C30 C28 H28 106.7 . . ?
C29 C28 H28 106.7 . . ?
C23 C28 H28 106.7 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C33 C31 C32 109.3(5) . . ?
C33 C31 C27 112.6(5) . . ?
C32 C31 C27 112.7(5) . . ?
C33 C31 H31 107.3 . . ?
C32 C31 H31 107.3 . . ?
C27 C31 H31 107.3 . . ?
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 . . ?
O1 C34 C35 106.6(7) . . ?
O1 C34 H34A 110.4 . . ?
C35 C34 H34A 110.4 . . ?
O1 C34 H34B 110.4 . . ?
C35 C34 H34B 110.4 . . ?
H34A C34 H34B 108.6 . . ?
C36 C35 C34 106.7(7) . . ?
C36 C35 H35A 110.4 . . ?
C34 C35 H35A 110.4 . . ?
C36 C35 H35B 110.4 . . ?
C34 C35 H35B 110.4 . . ?
H35A C35 H35B 108.6 . . ?
C35 C36 C37 111.5(8) . . ?
C35 C36 H36A 109.3 . . ?
C37 C36 H36A 109.3 . . ?
C35 C36 H36B 109.3 . . ?
C37 C36 H36B 109.3 . . ?
H36A C36 H36B 108.0 . . ?
C36 C37 O1 106.7(7) . . ?
C36 C37 H37A 110.4 . . ?
O1 C37 H37A 110.4 . . ?
C36 C37 H37B 110.4 . . ?
O1 C37 H37B 110.4 . . ?
H37A C37 H37B 108.6 . . ?
Si4 C38 H38A 109.5 . . ?
Si4 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
Si4 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
Si4 C39 H39A 109.5 . . ?
Si4 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
Si4 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
Si4 C40 H40A 109.5 . . ?
Si4 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
Si4 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
Si5 C41 H41A 109.5 . . ?
Si5 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
Si5 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
Si5 C42 H42A 109.5 . . ?
Si5 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
Si5 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
Si5 C43 H43A 109.5 . . ?
Si5 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
Si5 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
N6 C44 Si6 117.8(3) . . ?
N6 C44 H44A 107.9 . . ?
Si6 C44 H44A 107.9 . . ?
N6 C44 H44B 107.9 . . ?
Si6 C44 H44B 107.9 . . ?
H44A C44 H44B 107.2 . . ?
Si6 C45 H45A 109.5 . . ?
Si6 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
Si6 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
Si6 C46 H46A 109.5 . . ?
Si6 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
Si6 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
N5 C47 C48 120.5(5) . . ?
N5 C47 C52 120.9(5) . . ?
C48 C47 C52 118.4(5) . . ?
C49 C48 C47 119.1(5) . . ?
C49 C48 C53 117.9(5) . . ?
C47 C48 C53 122.8(5) . . ?
C50 C49 C48 120.4(6) . . ?
C50 C49 H49 119.8 . . ?
C48 C49 H49 119.8 . . ?
C49 C50 C51 121.1(6) . . ?
C49 C50 H50 119.4 . . ?
C51 C50 H50 119.4 . . ?
C50 C51 C52 121.5(6) . . ?
C50 C51 H51 119.3 . . ?
C52 C51 H51 119.3 . . ?
C51 C52 C47 119.4(6) . . ?
C51 C52 C56 120.2(6) . . ?
C47 C52 C56 120.3(5) . . ?
C48 C53 C55 110.7(5) . . ?
C48 C53 C54 114.1(5) . . ?
C55 C53 C54 108.3(5) . . ?
C48 C53 H53 107.8 . . ?
C55 C53 H53 107.8 . . ?
C54 C53 H53 107.8 . . ?
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 . . ?
C52 C56 C57 113.4(5) . . ?
C52 C56 C58 110.1(6) . . ?
C57 C56 C58 108.8(5) . . ?
C52 C56 H56 108.2 . . ?
C57 C56 H56 108.2 . . ?
C58 C56 H56 108.2 . . ?
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 . . ?
C60 C59 C64 120.3(5) . . ?
C60 C59 N6 120.5(5) . . ?
C64 C59 N6 119.2(5) . . ?
C59 C60 C61 119.2(6) . . ?
C59 C60 C65 121.8(5) . . ?
C61 C60 C65 119.0(6) . . ?
C62 C61 C60 120.6(6) . . ?
C62 C61 H61 119.7 . . ?
C60 C61 H61 119.7 . . ?
C61 C62 C63 120.3(6) . . ?
C61 C62 H62 119.8 . . ?
C63 C62 H62 119.8 . . ?
C62 C63 C64 122.2(7) . . ?
C62 C63 H63 118.9 . . ?
C64 C63 H63 118.9 . . ?
C63 C64 C59 117.4(6) . . ?
C63 C64 C68 120.1(6) . . ?
C59 C64 C68 122.6(5) . . ?
C60 C65 C66 113.4(6) . . ?
C60 C65 C67 112.2(6) . . ?
C66 C65 C67 109.6(5) . . ?
C60 C65 H65 107.1 . . ?
C66 C65 H65 107.1 . . ?
C67 C65 H65 107.1 . . ?
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 . . ?
C64 C68 C70 112.0(5) . . ?
C64 C68 C69 111.8(5) . . ?
C70 C68 C69 110.0(5) . . ?
C64 C68 H68 107.6 . . ?
C70 C68 H68 107.6 . . ?
C69 C68 H68 107.6 . . ?
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 103.9(5) . . ?
O2 C71 H71A 111.0 . . ?
C72 C71 H71A 111.0 . . ?
O2 C71 H71B 111.0 . . ?
C72 C71 H71B 111.0 . . ?
H71A C71 H71B 109.0 . . ?
C73 C72 C71 102.9(5) . . ?
C73 C72 H72A 111.2 . . ?
C71 C72 H72A 111.2 . . ?
C73 C72 H72B 111.2 . . ?
C71 C72 H72B 111.2 . . ?
H72A C72 H72B 109.1 . . ?
C72 C73 C74 102.9(5) . . ?
C72 C73 H73A 111.2 . . ?
C74 C73 H73A 111.2 . . ?
C72 C73 H73B 111.2 . . ?
C74 C73 H73B 111.2 . . ?
H73A C73 H73B 109.1 . . ?
O2 C74 C73 103.6(5) . . ?
O2 C74 H74A 111.0 . . ?
C73 C74 H74A 111.0 . . ?
O2 C74 H74B 111.0 . . ?
C73 C74 H74B 111.0 . . ?
H74A C74 H74B 109.0 . . ?
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 N3 2.132(4) . ?
Yb1 N2 2.189(4) . ?
Yb1 N1 2.217(4) . ?
Yb1 O1 2.269(4) . ?
Yb2 N6 2.122(4) . ?
Yb2 N5 2.181(4) . ?
Yb2 N4 2.224(4) . ?
Yb2 O2 2.275(4) . ?
Si1 N1 1.724(4) . ?
Si1 C3 1.856(5) . ?
Si1 C1 1.874(5) . ?
Si1 C2 1.884(5) . ?
Si2 N1 1.713(4) . ?
Si2 C5 1.868(6) . ?
Si2 C4 1.868(6) . ?
Si2 C6 1.878(6) . ?
Si3 N2 1.734(5) . ?
Si3 C7 1.858(6) . ?
Si3 C8 1.865(7) . ?
Si3 C9 1.867(7) . ?
Si4 N4 1.718(5) . ?
Si4 C38 1.874(7) . ?
Si4 C40 1.875(6) . ?
Si4 C39 1.885(7) . ?
Si5 N4 1.703(4) . ?
Si5 C42 1.861(6) . ?
Si5 C43 1.861(6) . ?
Si5 C41 1.870(6) . ?
Si6 N5 1.713(4) . ?
Si6 C45 1.867(5) . ?
Si6 C46 1.891(5) . ?
Si6 C44 1.913(5) . ?
N2 C10 1.434(6) . ?
N3 C22 1.427(6) . ?
N3 C7 1.511(6) . ?
N5 C47 1.413(6) . ?
N6 C59 1.434(6) . ?
N6 C44 1.493(6) . ?
O1 C34 1.418(8) . ?
O1 C37 1.460(8) . ?
O2 C74 1.464(7) . ?
O2 C71 1.466(6) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C15 1.412(7) . ?
C10 C11 1.425(7) . ?
C11 C12 1.382(7) . ?
C11 C16 1.502(7) . ?
C12 C13 1.381(7) . ?
C12 H12 0.9500 . ?
C13 C14 1.377(7) . ?
C13 H13 0.9500 . ?
C14 C15 1.402(7) . ?
C14 H14 0.9500 . ?
C15 C19 1.527(7) . ?
C16 C17 1.523(7) . ?
C16 C18 1.538(7) . ?
C16 H16 1.0000 . ?
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 C20 1.514(8) . ?
C19 C21 1.562(8) . ?
C19 H19 1.0000 . ?
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 C27 1.407(6) . ?
C22 C23 1.409(7) . ?
C23 C24 1.390(7) . ?
C23 C28 1.511(7) . ?
C24 C25 1.387(8) . ?
C24 H24 0.9500 . ?
C25 C26 1.372(8) . ?
C25 H25 0.9500 . ?
C26 C27 1.401(7) . ?
C26 H26 0.9500 . ?
C27 C31 1.534(7) . ?
C28 C30 1.492(9) . ?
C28 C29 1.500(8) . ?
C28 H28 1.0000 . ?
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 1.518(8) . ?
C31 C32 1.533(8) . ?
C31 H31 1.0000 . ?
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 C35 1.505(10) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.351(12) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 C37 1.406(10) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 C48 1.424(7) . ?
C47 C52 1.434(7) . ?
C48 C49 1.420(7) . ?
C48 C53 1.518(8) . ?
C49 C50 1.364(9) . ?
C49 H49 0.9500 . ?
C50 C51 1.371(9) . ?
C50 H50 0.9500 . ?
C51 C52 1.383(8) . ?
C51 H51 0.9500 . ?
C52 C56 1.504(9) . ?
C53 C55 1.536(7) . ?
C53 C54 1.544(8) . ?
C53 H53 1.0000 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 C57 1.543(8) . ?
C56 C58 1.549(8) . ?
C56 H56 1.0000 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 C60 1.391(8) . ?
C59 C64 1.430(8) . ?
C60 C61 1.410(8) . ?
C60 C65 1.509(9) . ?
C61 C62 1.363(10) . ?
C61 H61 0.9500 . ?
C62 C63 1.369(9) . ?
C62 H62 0.9500 . ?
C63 C64 1.393(7) . ?
C63 H63 0.9500 . ?
C64 C68 1.506(8) . ?
C65 C66 1.534(8) . ?
C65 C67 1.539(9) . ?
C65 H65 1.0000 . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?
C68 C70 1.525(8) . ?
C68 C69 1.533(8) . ?
C68 H68 1.0000 . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C71 C72 1.499(8) . ?
C71 H71A 0.9900 . ?
C71 H71B 0.9900 . ?
C72 C73 1.486(9) . ?
C72 H72A 0.9900 . ?
C72 H72B 0.9900 . ?
C73 C74 1.526(8) . ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
C74 H74A 0.9900 . ?
C74 H74B 0.9900 . ?
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
C5 Si2 N1 Si1 -72.8(3) . . . . ?
C4 Si2 N1 Si1 51.0(4) . . . . ?
C6 Si2 N1 Si1 169.6(3) . . . . ?
C5 Si2 N1 Yb1 109.5(3) . . . . ?
C4 Si2 N1 Yb1 -126.7(3) . . . . ?
C6 Si2 N1 Yb1 -8.1(3) . . . . ?
C3 Si1 N1 Si2 157.7(3) . . . . ?
C1 Si1 N1 Si2 -81.9(3) . . . . ?
C2 Si1 N1 Si2 36.6(3) . . . . ?
C3 Si1 N1 Yb1 -25.0(3) . . . . ?
C1 Si1 N1 Yb1 95.5(3) . . . . ?
C2 Si1 N1 Yb1 -146.1(3) . . . . ?
N3 Yb1 N1 Si2 179.69(18) . . . . ?
N2 Yb1 N1 Si2 50.0(3) . . . . ?
O1 Yb1 N1 Si2 -68.3(2) . . . . ?
N3 Yb1 N1 Si1 2.2(3) . . . . ?
N2 Yb1 N1 Si1 -127.5(3) . . . . ?
O1 Yb1 N1 Si1 114.2(3) . . . . ?
C7 Si3 N2 C10 168.9(4) . . . . ?
C8 Si3 N2 C10 49.6(5) . . . . ?
C9 Si3 N2 C10 -74.0(5) . . . . ?
C7 Si3 N2 Yb1 2.9(3) . . . . ?
C8 Si3 N2 Yb1 -116.4(3) . . . . ?
C9 Si3 N2 Yb1 120.0(3) . . . . ?
N3 Yb1 N2 C10 -151.7(4) . . . . ?
N1 Yb1 N2 C10 -12.0(5) . . . . ?
O1 Yb1 N2 C10 107.5(4) . . . . ?
N3 Yb1 N2 Si3 12.1(2) . . . . ?
N1 Yb1 N2 Si3 151.79(18) . . . . ?
O1 Yb1 N2 Si3 -88.7(2) . . . . ?
N2 Yb1 N3 C22 157.5(5) . . . . ?
N1 Yb1 N3 C22 12.1(5) . . . . ?
O1 Yb1 N3 C22 -101.5(5) . . . . ?
N2 Yb1 N3 C7 -26.9(3) . . . . ?
N1 Yb1 N3 C7 -172.4(3) . . . . ?
O1 Yb1 N3 C7 74.1(3) . . . . ?
C42 Si5 N4 Si4 169.2(3) . . . . ?
C43 Si5 N4 Si4 -72.6(4) . . . . ?
C41 Si5 N4 Si4 49.1(4) . . . . ?
C42 Si5 N4 Yb2 -13.3(3) . . . . ?
C43 Si5 N4 Yb2 105.0(3) . . . . ?
C41 Si5 N4 Yb2 -133.4(3) . . . . ?
C38 Si4 N4 Si5 162.5(3) . . . . ?
C40 Si4 N4 Si5 42.9(4) . . . . ?
C39 Si4 N4 Si5 -78.5(4) . . . . ?
C38 Si4 N4 Yb2 -15.0(4) . . . . ?
C40 Si4 N4 Yb2 -134.6(3) . . . . ?
C39 Si4 N4 Yb2 104.0(3) . . . . ?
N6 Yb2 N4 Si5 -1.2(3) . . . . ?
N5 Yb2 N4 Si5 143.4(2) . . . . ?
O2 Yb2 N4 Si5 -111.3(2) . . . . ?
N6 Yb2 N4 Si4 176.4(2) . . . . ?
N5 Yb2 N4 Si4 -39.0(3) . . . . ?
O2 Yb2 N4 Si4 66.3(3) . . . . ?
C45 Si6 N5 C47 -38.8(5) . . . . ?
C46 Si6 N5 C47 84.9(5) . . . . ?
C44 Si6 N5 C47 -159.3(4) . . . . ?
C45 Si6 N5 Yb2 121.6(2) . . . . ?
C46 Si6 N5 Yb2 -114.7(2) . . . . ?
C44 Si6 N5 Yb2 1.1(2) . . . . ?
N6 Yb2 N5 C47 143.5(4) . . . . ?
N4 Yb2 N5 C47 -11.5(5) . . . . ?
O2 Yb2 N5 C47 -116.0(4) . . . . ?
N6 Yb2 N5 Si6 -18.1(2) . . . . ?
N4 Yb2 N5 Si6 -173.21(17) . . . . ?
O2 Yb2 N5 Si6 82.3(2) . . . . ?
N5 Yb2 N6 C59 -156.3(6) . . . . ?
N4 Yb2 N6 C59 -4.4(7) . . . . ?
O2 Yb2 N6 C59 104.4(6) . . . . ?
N5 Yb2 N6 C44 32.8(3) . . . . ?
N4 Yb2 N6 C44 -175.3(3) . . . . ?
O2 Yb2 N6 C44 -66.4(3) . . . . ?
N3 Yb1 O1 C34 109.9(6) . . . . ?
N2 Yb1 O1 C34 -156.5(6) . . . . ?
N1 Yb1 O1 C34 -17.7(6) . . . . ?
N3 Yb1 O1 C37 -63.5(6) . . . . ?
N2 Yb1 O1 C37 30.2(6) . . . . ?
N1 Yb1 O1 C37 169.0(6) . . . . ?
N6 Yb2 O2 C74 88.0(5) . . . . ?
N5 Yb2 O2 C74 -7.9(5) . . . . ?
N4 Yb2 O2 C74 -135.7(5) . . . . ?
N6 Yb2 O2 C71 -92.5(4) . . . . ?
N5 Yb2 O2 C71 171.6(4) . . . . ?
N4 Yb2 O2 C71 43.8(4) . . . . ?
C22 N3 C7 Si3 -148.0(4) . . . . ?
Yb1 N3 C7 Si3 35.2(5) . . . . ?
N2 Si3 C7 N3 -25.9(5) . . . . ?
C8 Si3 C7 N3 96.7(5) . . . . ?
C9 Si3 C7 N3 -151.2(4) . . . . ?
Si3 N2 C10 C15 -92.4(5) . . . . ?
Yb1 N2 C10 C15 70.1(6) . . . . ?
Si3 N2 C10 C11 92.6(5) . . . . ?
Yb1 N2 C10 C11 -105.0(5) . . . . ?
C15 C10 C11 C12 2.0(7) . . . . ?
N2 C10 C11 C12 177.1(4) . . . . ?
C15 C10 C11 C16 -179.6(4) . . . . ?
N2 C10 C11 C16 -4.5(7) . . . . ?
C10 C11 C12 C13 -2.0(8) . . . . ?
C16 C11 C12 C13 179.5(5) . . . . ?
C11 C12 C13 C14 0.4(8) . . . . ?
C12 C13 C14 C15 1.2(8) . . . . ?
C13 C14 C15 C10 -1.1(8) . . . . ?
C13 C14 C15 C19 179.5(5) . . . . ?
C11 C10 C15 C14 -0.5(7) . . . . ?
N2 C10 C15 C14 -175.6(4) . . . . ?
C11 C10 C15 C19 178.9(5) . . . . ?
N2 C10 C15 C19 3.7(7) . . . . ?
C12 C11 C16 C17 60.2(6) . . . . ?
C10 C11 C16 C17 -118.3(5) . . . . ?
C12 C11 C16 C18 -62.1(6) . . . . ?
C10 C11 C16 C18 119.5(5) . . . . ?
C14 C15 C19 C20 70.4(6) . . . . ?
C10 C15 C19 C20 -109.0(6) . . . . ?
C14 C15 C19 C21 -51.9(7) . . . . ?
C10 C15 C19 C21 128.7(6) . . . . ?
C7 N3 C22 C27 88.8(5) . . . . ?
Yb1 N3 C22 C27 -95.8(6) . . . . ?
C7 N3 C22 C23 -90.4(6) . . . . ?
Yb1 N3 C22 C23 85.0(6) . . . . ?
C27 C22 C23 C24 3.5(7) . . . . ?
N3 C22 C23 C24 -177.3(4) . . . . ?
C27 C22 C23 C28 -177.1(5) . . . . ?
N3 C22 C23 C28 2.1(7) . . . . ?
C22 C23 C24 C25 -1.2(8) . . . . ?
C28 C23 C24 C25 179.4(5) . . . . ?
C23 C24 C25 C26 -0.9(8) . . . . ?
C24 C25 C26 C27 0.7(8) . . . . ?
C25 C26 C27 C22 1.7(8) . . . . ?
C25 C26 C27 C31 -177.2(5) . . . . ?
C23 C22 C27 C26 -3.7(7) . . . . ?
N3 C22 C27 C26 177.1(4) . . . . ?
C23 C22 C27 C31 175.1(4) . . . . ?
N3 C22 C27 C31 -4.1(7) . . . . ?
C24 C23 C28 C30 68.3(8) . . . . ?
C22 C23 C28 C30 -111.1(8) . . . . ?
C24 C23 C28 C29 -57.3(8) . . . . ?
C22 C23 C28 C29 123.3(7) . . . . ?
C26 C27 C31 C33 -64.5(7) . . . . ?
C22 C27 C31 C33 116.7(6) . . . . ?
C26 C27 C31 C32 59.6(7) . . . . ?
C22 C27 C31 C32 -119.2(6) . . . . ?
C37 O1 C34 C35 8.4(11) . . . . ?
Yb1 O1 C34 C35 -165.9(7) . . . . ?
O1 C34 C35 C36 -0.5(15) . . . . ?
C34 C35 C36 C37 -8.1(17) . . . . ?
C35 C36 C37 O1 13.5(15) . . . . ?
C34 O1 C37 C36 -13.2(11) . . . . ?
Yb1 O1 C37 C36 161.4(7) . . . . ?
C59 N6 C44 Si6 146.1(4) . . . . ?
Yb2 N6 C44 Si6 -39.4(4) . . . . ?
N5 Si6 C44 N6 27.2(4) . . . . ?
C45 Si6 C44 N6 -94.4(4) . . . . ?
C46 Si6 C44 N6 154.0(4) . . . . ?
Si6 N5 C47 C48 102.7(5) . . . . ?
Yb2 N5 C47 C48 -54.8(6) . . . . ?
Si6 N5 C47 C52 -82.0(6) . . . . ?
Yb2 N5 C47 C52 120.5(4) . . . . ?
N5 C47 C48 C49 173.6(5) . . . . ?
C52 C47 C48 C49 -1.8(7) . . . . ?
N5 C47 C48 C53 -10.8(7) . . . . ?
C52 C47 C48 C53 173.8(5) . . . . ?
C47 C48 C49 C50 2.0(8) . . . . ?
C53 C48 C49 C50 -173.9(5) . . . . ?
C48 C49 C50 C51 -0.7(9) . . . . ?
C49 C50 C51 C52 -0.7(10) . . . . ?
C50 C51 C52 C47 0.8(9) . . . . ?
C50 C51 C52 C56 177.6(5) . . . . ?
N5 C47 C52 C51 -174.9(5) . . . . ?
C48 C47 C52 C51 0.5(8) . . . . ?
N5 C47 C52 C56 8.3(8) . . . . ?
C48 C47 C52 C56 -176.3(5) . . . . ?
C49 C48 C53 C55 65.2(6) . . . . ?
C47 C48 C53 C55 -110.5(6) . . . . ?
C49 C48 C53 C54 -57.3(6) . . . . ?
C47 C48 C53 C54 127.0(5) . . . . ?
C51 C52 C56 C57 52.5(8) . . . . ?
C47 C52 C56 C57 -130.7(6) . . . . ?
C51 C52 C56 C58 -69.6(7) . . . . ?
C47 C52 C56 C58 107.2(6) . . . . ?
C44 N6 C59 C60 91.5(6) . . . . ?
Yb2 N6 C59 C60 -78.9(8) . . . . ?
C44 N6 C59 C64 -89.5(6) . . . . ?
Yb2 N6 C59 C64 100.1(7) . . . . ?
C64 C59 C60 C61 -0.3(8) . . . . ?
N6 C59 C60 C61 178.7(5) . . . . ?
C64 C59 C60 C65 176.5(5) . . . . ?
N6 C59 C60 C65 -4.5(8) . . . . ?
C59 C60 C61 C62 -0.1(10) . . . . ?
C65 C60 C61 C62 -177.0(6) . . . . ?
C60 C61 C62 C63 0.4(11) . . . . ?
C61 C62 C63 C64 -0.2(11) . . . . ?
C62 C63 C64 C59 -0.2(10) . . . . ?
C62 C63 C64 C68 178.9(6) . . . . ?
C60 C59 C64 C63 0.5(9) . . . . ?
N6 C59 C64 C63 -178.5(5) . . . . ?
C60 C59 C64 C68 -178.6(5) . . . . ?
N6 C59 C64 C68 2.4(8) . . . . ?
C59 C60 C65 C66 126.2(6) . . . . ?
C61 C60 C65 C66 -57.0(8) . . . . ?
C59 C60 C65 C67 -108.9(7) . . . . ?
C61 C60 C65 C67 67.9(7) . . . . ?
C63 C64 C68 C70 -55.7(8) . . . . ?
C59 C64 C68 C70 123.3(6) . . . . ?
C63 C64 C68 C69 68.4(8) . . . . ?
C59 C64 C68 C69 -112.6(6) . . . . ?
C74 O2 C71 C72 -16.0(7) . . . . ?
Yb2 O2 C71 C72 164.4(4) . . . . ?
O2 C71 C72 C73 35.4(7) . . . . ?
C71 C72 C73 C74 -41.1(7) . . . . ?
C71 O2 C74 C73 -9.2(7) . . . . ?
Yb2 O2 C74 C73 170.3(4) . . . . ?
C72 C73 C74 O2 31.1(7) . . . . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139127986
