#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:51:18 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179350 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/47/4324716.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_4324716
loop_
_publ_author_name
'Fubin Han'
'Qiaoqiao Teng'
'Yong Zhang'
'Yaorong Wang'
'Qi Shen'
_publ_contact_author_email       qshen@suda.edu.cn
_publ_contact_author_fax         86-512-65880305
_publ_contact_author_name        'Dr. Qi Shen'
_publ_contact_author_phone       86-512-65880306
_publ_section_title
;
 Influence of Schiff Base and Lanthanide Metals on the Synthesis,
 Stability, and Reactivity of Monoamido Lanthanide Complexes Bearing Two
 Schiff Bases
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2634
_journal_page_last               2643
_journal_paper_doi               10.1021/ic102529d
_journal_volume                  50
_journal_year                    2011
_chemical_absolute_configuration ad
_chemical_formula_sum            'C60 H94 N3 O2 Si2 Yb'
_chemical_formula_weight         1118.60
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           96
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      96
_symmetry_space_group_name_Hall  'P 4nw 2abw'
_symmetry_space_group_name_H-M   'P 43 21 2'
_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            4
_cell_length_a                   12.8009(11)
_cell_length_b                   12.8009(11)
_cell_length_c                   37.601(4)
_cell_measurement_reflns_used    12564
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     6161.4(10)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0586
_diffrn_reflns_av_sigmaI/netI    0.0808
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -45
_diffrn_reflns_number            14071
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         3.12
_exptl_absorpt_coefficient_mu    1.597
_exptl_absorpt_correction_T_max  0.540
_exptl_absorpt_correction_T_min  0.322
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.206
_exptl_crystal_description       block
_exptl_crystal_F_000             2356
_exptl_crystal_size_max          0.80
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.40
_refine_diff_density_max         0.805
_refine_diff_density_min         -0.980
_refine_diff_density_rms         0.098
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.05(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.113
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         5475
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.113
_refine_ls_R_factor_all          0.0737
_refine_ls_R_factor_gt           0.0659
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0510P)²+13.5492P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1437
_refine_ls_wR_factor_ref         0.1489
_reflns_number_gt                4979
_reflns_number_total             5475
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic102529d_si_001_05.cif
_cod_data_source_block           complex5
_cod_database_code               4324716
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y+1/2, x+1/2, z+3/4'
'-x, -y, z+1/2'
'y+1/2, -x+1/2, z+1/4'
'-x+1/2, y+1/2, -z+3/4'
'y, x, -z'
'x+1/2, -y+1/2, -z+1/4'
'-y, -x, -z+1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Yb1 Yb 0.22383(3) 0.22383(3) 0.0000 0.03863(16) Uani 1 2 d S
Si1 Si 0.4338(3) 0.3587(3) 0.03505(13) 0.0829(13) Uani 1 1 d .
O1 O 0.2986(4) 0.0903(4) 0.02087(16) 0.0429(15) Uani 1 1 d .
N1 N 0.1198(5) 0.1851(6) 0.0519(2) 0.0411(17) Uani 1 1 d .
N2 N 0.3447(6) 0.3447(6) 0.0000 0.062(3) Uani 1 2 d S
C1 C 0.3040(6) 0.0287(6) 0.0499(2) 0.0359(19) Uani 1 1 d .
C2 C 0.3853(7) -0.0424(7) 0.0558(3) 0.044(2) Uani 1 1 d .
C3 C 0.3783(8) -0.1070(7) 0.0854(3) 0.051(3) Uani 1 1 d .
H3 H 0.4312 -0.1571 0.0884 0.062 Uiso 1 1 calc R
C4 C 0.2998(7) -0.1040(6) 0.1110(3) 0.047(2) Uani 1 1 d .
C5 C 0.2224(8) -0.0289(6) 0.1053(3) 0.051(2) Uani 1 1 d .
H5 H 0.1688 -0.0217 0.1222 0.061 Uiso 1 1 calc R
C6 C 0.2221(8) 0.0359(7) 0.0755(2) 0.0413(19) Uani 1 1 d .
C7 C 0.1387(6) 0.1097(6) 0.0735(3) 0.040(2) Uani 1 1 d .
H7 H 0.0880 0.1015 0.0913 0.048 Uiso 1 1 calc R
C8 C 0.0228(7) 0.2413(7) 0.0608(2) 0.042(2) Uani 1 1 d .
C9 C -0.0726(7) 0.1973(7) 0.0497(3) 0.052(3) Uani 1 1 d .
C10 C -0.1661(8) 0.2455(9) 0.0616(3) 0.070(3) Uani 1 1 d .
H10 H -0.2311 0.2175 0.0549 0.084 Uiso 1 1 calc R
C11 C -0.1626(9) 0.3337(10) 0.0831(3) 0.072(3) Uani 1 1 d .
H11 H -0.2244 0.3654 0.0912 0.087 Uiso 1 1 calc R
C12 C -0.0675(8) 0.3732(9) 0.0923(3) 0.064(3) Uani 1 1 d .
H12 H -0.0657 0.4332 0.1067 0.077 Uiso 1 1 calc R
C13 C 0.0284(8) 0.3290(8) 0.0814(3) 0.052(2) Uani 1 1 d .
C14 C -0.0797(8) 0.1031(8) 0.0259(3) 0.065(3) Uani 1 1 d .
H14 H -0.0089 0.0878 0.0166 0.078 Uiso 1 1 calc R
C15 C -0.1183(11) 0.0051(10) 0.0477(4) 0.088(4) Uani 1 1 d .
H15A H -0.0618 -0.0204 0.0626 0.131 Uiso 1 1 calc R
H15B H -0.1398 -0.0496 0.0314 0.131 Uiso 1 1 calc R
H15C H -0.1770 0.0250 0.0626 0.131 Uiso 1 1 calc R
C16 C -0.1536(8) 0.1188(9) -0.0060(4) 0.073(4) Uani 1 1 d .
H16A H -0.2254 0.1202 0.0023 0.110 Uiso 1 1 calc R
H16B H -0.1447 0.0618 -0.0228 0.110 Uiso 1 1 calc R
H16C H -0.1374 0.1844 -0.0177 0.110 Uiso 1 1 calc R
C17 C 0.1302(14) 0.3799(13) 0.0900(6) 0.128(4) Uani 1 1 d .
H17 H 0.1844 0.3453 0.0753 0.154 Uiso 1 1 calc R
C18 C 0.1570(13) 0.3609(12) 0.1273(5) 0.128(4) Uani 1 1 d .
H18A H 0.2294 0.3796 0.1313 0.192 Uiso 1 1 calc R
H18B H 0.1468 0.2876 0.1328 0.192 Uiso 1 1 calc R
H18C H 0.1124 0.4030 0.1424 0.192 Uiso 1 1 calc R
C19 C 0.1356(14) 0.4917(12) 0.0824(5) 0.128(4) Uani 1 1 d .
H19A H 0.0820 0.5101 0.0653 0.192 Uiso 1 1 calc R
H19B H 0.2038 0.5085 0.0727 0.192 Uiso 1 1 calc R
H19C H 0.1248 0.5308 0.1042 0.192 Uiso 1 1 calc R
C20 C 0.4805(11) -0.0592(13) 0.0294(4) 0.100(2) Uani 1 1 d .
C21 C 0.5660(10) -0.1217(13) 0.0443(4) 0.100(2) Uani 1 1 d .
H21A H 0.6276 -0.1139 0.0295 0.150 Uiso 1 1 calc R
H21B H 0.5455 -0.1947 0.0449 0.150 Uiso 1 1 calc R
H21C H 0.5813 -0.0980 0.0682 0.150 Uiso 1 1 calc R
C22 C 0.5289(10) 0.0430(12) 0.0203(4) 0.100(2) Uani 1 1 d .
H22A H 0.5421 0.0821 0.0420 0.150 Uiso 1 1 calc R
H22B H 0.4820 0.0823 0.0052 0.150 Uiso 1 1 calc R
H22C H 0.5943 0.0312 0.0079 0.150 Uiso 1 1 calc R
C23 C 0.4356(9) -0.1057(12) -0.0047(4) 0.100(2) Uani 1 1 d .
H23A H 0.4706 -0.0752 -0.0251 0.150 Uiso 1 1 calc R
H23B H 0.3614 -0.0908 -0.0060 0.150 Uiso 1 1 calc R
H23C H 0.4463 -0.1808 -0.0048 0.150 Uiso 1 1 calc R
C24 C 0.2953(8) -0.1820(7) 0.1427(4) 0.065(3) Uani 1 1 d .
C25 C 0.4014(12) -0.1884(13) 0.1612(4) 0.118(7) Uani 1 1 d .
H25A H 0.4202 -0.1201 0.1703 0.177 Uiso 1 1 calc R
H25B H 0.4539 -0.2115 0.1443 0.177 Uiso 1 1 calc R
H25C H 0.3974 -0.2379 0.1807 0.177 Uiso 1 1 calc R
C26 C 0.2667(15) -0.2876(7) 0.1278(4) 0.126(6) Uani 1 1 d .
H26A H 0.2733 -0.3400 0.1463 0.189 Uiso 1 1 calc R
H26B H 0.3131 -0.3047 0.1083 0.189 Uiso 1 1 calc R
H26C H 0.1952 -0.2861 0.1193 0.189 Uiso 1 1 calc R
C27 C 0.2179(13) -0.1523(11) 0.1700(4) 0.113(6) Uani 1 1 d .
H27A H 0.1480 -0.1659 0.1612 0.170 Uiso 1 1 calc R
H27B H 0.2250 -0.0785 0.1754 0.170 Uiso 1 1 calc R
H27C H 0.2299 -0.1928 0.1914 0.170 Uiso 1 1 calc R
C28 C 0.3990(11) 0.2699(14) 0.0723(5) 0.125(4) Uani 1 1 d .
H28A H 0.3236 0.2672 0.0748 0.188 Uiso 1 1 calc R
H28B H 0.4296 0.2959 0.0942 0.188 Uiso 1 1 calc R
H28C H 0.4256 0.2005 0.0674 0.188 Uiso 1 1 calc R
C29 C 0.4456(11) 0.4929(11) 0.0530(5) 0.125(4) Uani 1 1 d .
H29A H 0.4728 0.5389 0.0347 0.188 Uiso 1 1 calc R
H29B H 0.4929 0.4927 0.0732 0.188 Uiso 1 1 calc R
H29C H 0.3774 0.5175 0.0605 0.188 Uiso 1 1 calc R
C30 C 0.5725(11) 0.3268(13) 0.0220(5) 0.125(4) Uani 1 1 d .
H30A H 0.5722 0.2736 0.0037 0.188 Uiso 1 1 calc R
H30B H 0.6101 0.3011 0.0426 0.188 Uiso 1 1 calc R
H30C H 0.6065 0.3892 0.0131 0.188 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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O1 Yb1 O1 150.8(3) 6 .
O1 Yb1 N2 104.60(15) 6 .
O1 Yb1 N2 104.60(15) . .
O1 Yb1 N1 77.5(2) 6 6
O1 Yb1 N1 87.0(2) . 6
N2 Yb1 N1 122.35(17) . 6
O1 Yb1 N1 87.0(2) 6 .
O1 Yb1 N1 77.5(2) . .
N2 Yb1 N1 122.35(17) . .
N1 Yb1 N1 115.3(3) 6 .
O1 Yb1 Si1 123.04(16) 6 .
O1 Yb1 Si1 84.85(16) . .
N2 Yb1 Si1 25.41(7) . .
N1 Yb1 Si1 138.04(19) 6 .
N1 Yb1 Si1 102.89(19) . .
O1 Yb1 Si1 84.85(16) 6 6
O1 Yb1 Si1 123.04(16) . 6
N2 Yb1 Si1 25.41(7) . 6
N1 Yb1 Si1 102.89(19) 6 6
N1 Yb1 Si1 138.04(19) . 6
Si1 Yb1 Si1 50.82(15) . 6
N2 Si1 C29 115.0(6) . .
N2 Si1 C28 110.4(6) . .
C29 Si1 C28 108.2(9) . .
N2 Si1 C30 113.3(6) . .
C29 Si1 C30 102.6(7) . .
C28 Si1 C30 106.8(7) . .
N2 Si1 Yb1 32.4(3) . .
C29 Si1 Yb1 131.8(5) . .
C28 Si1 Yb1 78.2(5) . .
C30 Si1 Yb1 121.7(6) . .
C1 O1 Yb1 143.0(5) . .
C7 N1 C8 112.6(7) . .
C7 N1 Yb1 124.1(6) . .
C8 N1 Yb1 123.1(5) . .
Si1 N2 Si1 115.7(7) . 6
Si1 N2 Yb1 122.2(3) . .
Si1 N2 Yb1 122.2(3) 6 .
O1 C1 C2 123.2(8) . .
O1 C1 C6 118.0(7) . .
C2 C1 C6 118.8(8) . .
C3 C2 C1 117.8(9) . .
C3 C2 C20 118.0(9) . .
C1 C2 C20 124.1(10) . .
C4 C3 C2 125.7(9) . .
C4 C3 H3 117.2 . .
C2 C3 H3 117.2 . .
C3 C4 C5 115.3(9) . .
C3 C4 C24 122.5(8) . .
C5 C4 C24 122.1(9) . .
C4 C5 C6 122.2(9) . .
C4 C5 H5 118.9 . .
C6 C5 H5 118.9 . .
C5 C6 C7 116.0(9) . .
C5 C6 C1 120.1(8) . .
C7 C6 C1 123.8(8) . .
N1 C7 C6 132.3(9) . .
N1 C7 H7 113.9 . .
C6 C7 H7 113.9 . .
C13 C8 C9 122.8(9) . .
C13 C8 N1 119.0(8) . .
C9 C8 N1 118.0(8) . .
C8 C9 C10 117.7(10) . .
C8 C9 C14 123.3(8) . .
C10 C9 C14 119.0(9) . .
C11 C10 C9 120.6(10) . .
C11 C10 H10 119.7 . .
C9 C10 H10 119.7 . .
C12 C11 C10 118.6(10) . .
C12 C11 H11 120.7 . .
C10 C11 H11 120.7 . .
C11 C12 C13 123.6(11) . .
C11 C12 H12 118.2 . .
C13 C12 H12 118.2 . .
C8 C13 C12 116.6(10) . .
C8 C13 C17 121.9(12) . .
C12 C13 C17 121.4(12) . .
C9 C14 C16 113.3(9) . .
C9 C14 C15 110.1(11) . .
C16 C14 C15 108.5(9) . .
C9 C14 H14 108.3 . .
C16 C14 H14 108.3 . .
C15 C14 H14 108.3 . .
C14 C15 H15A 109.5 . .
C14 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C14 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C14 C16 H16A 109.5 . .
C14 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C14 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C19 C17 C18 109.7(16) . .
C19 C17 C13 115.3(14) . .
C18 C17 C13 109.9(16) . .
C19 C17 H17 107.2 . .
C18 C17 H17 107.2 . .
C13 C17 H17 107.2 . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C17 C19 H19A 109.5 . .
C17 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C17 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C21 C20 C22 104.8(12) . .
C21 C20 C23 112.8(14) . .
C22 C20 C23 107.8(14) . .
C21 C20 C2 114.3(13) . .
C22 C20 C2 110.2(12) . .
C23 C20 C2 106.8(11) . .
C20 C21 H21A 109.5 . .
C20 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C20 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C20 C22 H22A 109.5 . .
C20 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C20 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C20 C23 H23A 109.5 . .
C20 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C20 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C27 C24 C26 109.0(12) . .
C27 C24 C25 106.9(14) . .
C26 C24 C25 109.7(12) . .
C27 C24 C4 113.1(9) . .
C26 C24 C4 107.5(10) . .
C25 C24 C4 110.6(9) . .
C24 C25 H25A 109.5 . .
C24 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C24 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C24 C26 H26A 109.5 . .
C24 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C24 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C24 C27 H27A 109.5 . .
C24 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C24 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
Si1 C28 H28A 109.5 . .
Si1 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
Si1 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
Si1 C29 H29A 109.5 . .
Si1 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
Si1 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
Si1 C30 H30A 109.5 . .
Si1 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
Si1 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Yb1 O1 2.110(6) 6
Yb1 O1 2.110(6) .
Yb1 N2 2.189(11) .
Yb1 N1 2.414(8) 6
Yb1 N1 2.414(8) .
Yb1 Si1 3.455(3) .
Yb1 Si1 3.455(3) 6
Si1 N2 1.751(7) .
Si1 C29 1.852(16) .
Si1 C28 1.859(18) .
Si1 C30 1.887(16) .
O1 C1 1.347(10) .
N1 C7 1.283(11) .
N1 C8 1.474(11) .
N2 Si1 1.751(7) 6
C1 C2 1.400(11) .
C1 C6 1.427(12) .
C2 C3 1.391(14) .
C2 C20 1.585(17) .
C3 C4 1.391(15) .
C3 H3 0.9400 .
C4 C5 1.396(12) .
C4 C24 1.557(14) .
C5 C6 1.397(12) .
C5 H5 0.9400 .
C6 C7 1.427(12) .
C7 H7 0.9400 .
C8 C13 1.366(13) .
C8 C9 1.407(13) .
C9 C10 1.419(12) .
C9 C14 1.506(14) .
C10 C11 1.389(15) .
C10 H10 0.9400 .
C11 C12 1.362(15) .
C11 H11 0.9400 .
C12 C13 1.413(13) .
C12 H12 0.9400 .
C13 C17 1.493(18) .
C14 C16 1.541(16) .
C14 C15 1.579(17) .
C14 H14 0.9900 .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C15 H15C 0.9700 .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C16 H16C 0.9700 .
C17 C19 1.46(2) .
C17 C18 1.46(2) .
C17 H17 0.9900 .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C18 H18C 0.9700 .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C19 H19C 0.9700 .
C20 C21 1.466(18) .
C20 C22 1.49(2) .
C20 C23 1.53(2) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C21 H21C 0.9700 .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C22 H22C 0.9700 .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C23 H23C 0.9700 .
C24 C27 1.478(17) .
C24 C26 1.508(15) .
C24 C25 1.529(17) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C25 H25C 0.9700 .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C26 H26C 0.9700 .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C27 H27C 0.9700 .
C28 H28A 0.9700 .
C28 H28B 0.9700 .
C28 H28C 0.9700 .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C29 H29C 0.9700 .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
C30 H30C 0.9700 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O1 Yb1 Si1 N2 -48.1(3) 6 .
O1 Yb1 Si1 N2 141.2(2) . .
N1 Yb1 Si1 N2 61.6(3) 6 .
N1 Yb1 Si1 N2 -142.9(2) . .
Si1 Yb1 Si1 N2 0.0 6 .
O1 Yb1 Si1 C29 21.4(9) 6 .
O1 Yb1 Si1 C29 -149.3(9) . .
N2 Yb1 Si1 C29 69.5(8) . .
N1 Yb1 Si1 C29 131.1(9) 6 .
N1 Yb1 Si1 C29 -73.4(9) . .
Si1 Yb1 Si1 C29 69.5(8) 6 .
O1 Yb1 Si1 C28 125.4(6) 6 .
O1 Yb1 Si1 C28 -45.3(6) . .
N2 Yb1 Si1 C28 173.4(7) . .
N1 Yb1 Si1 C28 -125.0(7) 6 .
N1 Yb1 Si1 C28 30.5(6) . .
Si1 Yb1 Si1 C28 173.4(7) 6 .
O1 Yb1 Si1 C30 -132.0(7) 6 .
O1 Yb1 Si1 C30 57.2(7) . .
N2 Yb1 Si1 C30 -84.0(7) . .
N1 Yb1 Si1 C30 -22.4(7) 6 .
N1 Yb1 Si1 C30 133.1(6) . .
Si1 Yb1 Si1 C30 -84.0(7) 6 .
O1 Yb1 O1 C1 -72.4(8) 6 .
N2 Yb1 O1 C1 107.6(8) . .
N1 Yb1 O1 C1 -129.7(9) 6 .
N1 Yb1 O1 C1 -13.0(8) . .
Si1 Yb1 O1 C1 91.5(8) . .
Si1 Yb1 O1 C1 126.9(8) 6 .
O1 Yb1 N1 C7 156.5(7) 6 .
O1 Yb1 N1 C7 1.4(7) . .
N2 Yb1 N1 C7 -98.1(7) . .
N1 Yb1 N1 C7 81.9(7) 6 .
Si1 Yb1 N1 C7 -80.2(7) . .
Si1 Yb1 N1 C7 -124.6(7) 6 .
O1 Yb1 N1 C8 -18.8(6) 6 .
O1 Yb1 N1 C8 -173.9(7) . .
N2 Yb1 N1 C8 86.6(6) . .
N1 Yb1 N1 C8 -93.4(6) 6 .
Si1 Yb1 N1 C8 104.5(6) . .
Si1 Yb1 N1 C8 60.1(7) 6 .
C29 Si1 N2 Si1 50.4(6) . 6
C28 Si1 N2 Si1 173.1(7) . 6
C30 Si1 N2 Si1 -67.2(6) . 6
Yb1 Si1 N2 Si1 180.0 . 6
C29 Si1 N2 Yb1 -129.6(6) . .
C28 Si1 N2 Yb1 -6.9(7) . .
C30 Si1 N2 Yb1 112.8(6) . .
O1 Yb1 N2 Si1 139.9(2) 6 .
O1 Yb1 N2 Si1 -40.1(2) . .
N1 Yb1 N2 Si1 -135.9(3) 6 .
N1 Yb1 N2 Si1 44.1(3) . .
Si1 Yb1 N2 Si1 180.0 6 .
O1 Yb1 N2 Si1 -40.1(2) 6 6
O1 Yb1 N2 Si1 139.9(2) . 6
N1 Yb1 N2 Si1 44.1(3) 6 6
N1 Yb1 N2 Si1 -135.9(3) . 6
Si1 Yb1 N2 Si1 180.0 . 6
Yb1 O1 C1 C2 -164.5(6) . .
Yb1 O1 C1 C6 16.2(13) . .
O1 C1 C2 C3 -175.4(8) . .
C6 C1 C2 C3 3.8(13) . .
O1 C1 C2 C20 0.1(15) . .
C6 C1 C2 C20 179.4(10) . .
C1 C2 C3 C4 -3.4(15) . .
C20 C2 C3 C4 -179.3(11) . .
C2 C3 C4 C5 0.4(15) . .
C2 C3 C4 C24 177.6(9) . .
C3 C4 C5 C6 2.3(14) . .
C24 C4 C5 C6 -175.0(9) . .
C4 C5 C6 C7 -179.4(9) . .
C4 C5 C6 C1 -1.7(15) . .
O1 C1 C6 C5 177.8(8) . .
C2 C1 C6 C5 -1.4(13) . .
O1 C1 C6 C7 -4.7(13) . .
C2 C1 C6 C7 176.0(8) . .
C8 N1 C7 C6 -179.6(9) . .
Yb1 N1 C7 C6 4.7(14) . .
C5 C6 C7 N1 173.2(10) . .
C1 C6 C7 N1 -4.3(16) . .
C7 N1 C8 C13 94.5(11) . .
Yb1 N1 C8 C13 -89.7(10) . .
C7 N1 C8 C9 -80.7(11) . .
Yb1 N1 C8 C9 95.1(9) . .
C13 C8 C9 C10 -1.7(15) . .
N1 C8 C9 C10 173.2(9) . .
C13 C8 C9 C14 177.6(11) . .
N1 C8 C9 C14 -7.4(15) . .
C8 C9 C10 C11 0.6(17) . .
C14 C9 C10 C11 -178.8(11) . .
C9 C10 C11 C12 0.5(19) . .
C10 C11 C12 C13 -0.5(19) . .
C9 C8 C13 C12 1.7(16) . .
N1 C8 C13 C12 -173.2(9) . .
C9 C8 C13 C17 -174.4(12) . .
N1 C8 C13 C17 10.7(17) . .
C11 C12 C13 C8 -0.5(18) . .
C11 C12 C13 C17 175.5(14) . .
C8 C9 C14 C16 -129.9(10) . .
C10 C9 C14 C16 49.4(14) . .
C8 C9 C14 C15 108.4(12) . .
C10 C9 C14 C15 -72.3(13) . .
C8 C13 C17 C19 127.9(18) . .
C12 C13 C17 C19 -48(2) . .
C8 C13 C17 C18 -107.5(17) . .
C12 C13 C17 C18 76.6(18) . .
C3 C2 C20 C21 -16.0(18) . .
C1 C2 C20 C21 168.5(12) . .
C3 C2 C20 C22 -133.7(11) . .
C1 C2 C20 C22 50.8(16) . .
C3 C2 C20 C23 109.5(13) . .
C1 C2 C20 C23 -66.1(15) . .
C3 C4 C24 C27 169.0(12) . .
C5 C4 C24 C27 -13.9(16) . .
C3 C4 C24 C26 -70.6(14) . .
C5 C4 C24 C26 106.5(13) . .
C3 C4 C24 C25 49.1(16) . .
C5 C4 C24 C25 -133.8(12) . .
