#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/49/4074914.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_4074914
loop_
_publ_author_name
'Zhao, Bei'
'Li, Honghai'
'Shen, Qi'
'Zhang, Yong'
'Yao, Yingming'
'Lu, Chengrong'
_publ_section_title
;
 Metallomacrocycle Complexes of Lanthanides with Bridged Amide
 Ligands:  Syntheses and Molecular Structures of
 [{μ2-p-(Me3SiN)2C6H4}YbCl(THF)2]2and
 [{μ2-p-(Me3SiN)2C6H4}Nd(μ2-Cl)(THF)]42PhMe
;
_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              1824
_journal_paper_doi               10.1021/om0509995
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         'C40 H76 Cl2 N4 O4 Si4 Yb2'
_chemical_formula_sum            'C40 H76 Cl2 N4 O4 Si4 Yb2'
_chemical_formula_weight         1206.39
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 93.481(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.127(3)
_cell_length_b                   12.0839(13)
_cell_length_c                   17.4643(19)
_cell_measurement_reflns_used    9351
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     5292.9(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      193(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0547
_diffrn_reflns_av_sigmaI/netI    0.0427
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            28590
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.03
_exptl_absorpt_coefficient_mu    3.742
_exptl_absorpt_correction_T_max  0.3998
_exptl_absorpt_correction_T_min  0.2513
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            orange-red
_exptl_crystal_density_diffrn    1.514
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2424
_exptl_crystal_size_max          0.51
_exptl_crystal_size_mid          0.39
_exptl_crystal_size_min          0.30
_refine_diff_density_max         2.332
_refine_diff_density_min         -2.741
_refine_diff_density_rms         0.185
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.232
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     260
_refine_ls_number_reflns         6069
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.247
_refine_ls_R_factor_all          0.0648
_refine_ls_R_factor_gt           0.0561
_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)+(0.0598P)²+26.7858P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1299
_refine_ls_wR_factor_ref         0.1350
_reflns_number_gt                5387
_reflns_number_total             6069
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om0509995si20051119_092351.cif
_cod_data_source_block           shelxl
_cod_original_cell_volume        5293.0(10)
_cod_original_sg_symbol_Hall     '-c 2yc'
_cod_original_sg_symbol_H-M      'c 2/c'
_cod_database_code               4074914
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Yb1 Yb 0.612874(10) 0.29978(2) 0.587632(14) 0.02417(11) Uani 1 1 d .
Cl1 Cl 0.51576(7) 0.34112(18) 0.60775(11) 0.0424(4) Uani 1 1 d .
Si1 Si 0.66555(8) 0.56368(16) 0.61689(10) 0.0307(4) Uani 1 1 d .
Si2 Si 0.89133(8) 0.49086(17) 0.39353(13) 0.0373(4) Uani 1 1 d .
O1 O 0.58363(19) 0.3116(4) 0.4601(3) 0.0304(10) Uani 1 1 d .
O2 O 0.6259(2) 0.2942(4) 0.7186(3) 0.0374(12) Uani 1 1 d .
N1 N 0.6715(2) 0.4312(5) 0.5807(3) 0.0291(12) Uani 1 1 d .
N2 N 0.8635(2) 0.3719(5) 0.4253(3) 0.0297(12) Uani 1 1 d .
C1 C 0.7197(3) 0.4116(5) 0.5434(4) 0.0282(13) Uani 1 1 d .
C2 C 0.7192(3) 0.3897(7) 0.4650(4) 0.0401(17) Uani 1 1 d .
H2 H 0.6860 0.3840 0.4363 0.048 Uiso 1 1 calc R
C3 C 0.7658(3) 0.3760(7) 0.4281(4) 0.0389(17) Uani 1 1 d .
H3 H 0.7635 0.3610 0.3746 0.047 Uiso 1 1 calc R
C4 C 0.8155(3) 0.3831(5) 0.4654(4) 0.0286(13) Uani 1 1 d .
C5 C 0.8169(3) 0.4027(7) 0.5443(4) 0.0411(17) Uani 1 1 d .
H5 H 0.8503 0.4068 0.5726 0.049 Uiso 1 1 calc R
C6 C 0.7702(3) 0.4163(7) 0.5820(4) 0.0415(18) Uani 1 1 d .
H6 H 0.7725 0.4291 0.6358 0.050 Uiso 1 1 calc R
C7 C 0.5932(3) 0.5956(8) 0.6245(5) 0.049(2) Uani 1 1 d .
H7A H 0.5749 0.5926 0.5734 0.073 Uiso 1 1 calc R
H7B H 0.5895 0.6698 0.6461 0.073 Uiso 1 1 calc R
H7C H 0.5775 0.5411 0.6580 0.073 Uiso 1 1 calc R
C8 C 0.6949(3) 0.6674(7) 0.5527(5) 0.0448(18) Uani 1 1 d .
H8A H 0.7331 0.6527 0.5499 0.067 Uiso 1 1 calc R
H8B H 0.6899 0.7419 0.5732 0.067 Uiso 1 1 calc R
H8C H 0.6772 0.6621 0.5013 0.067 Uiso 1 1 calc R
C9 C 0.6984(4) 0.5836(7) 0.7157(4) 0.048(2) Uani 1 1 d .
H9A H 0.6844 0.5289 0.7507 0.072 Uiso 1 1 calc R
H9B H 0.6908 0.6583 0.7339 0.072 Uiso 1 1 calc R
H9C H 0.7370 0.5739 0.7138 0.072 Uiso 1 1 calc R
C10 C 0.9551(4) 0.4580(9) 0.3475(8) 0.079(4) Uani 1 1 d .
H10A H 0.9787 0.4160 0.3836 0.118 Uiso 1 1 calc R
H10B H 0.9726 0.5270 0.3338 0.118 Uiso 1 1 calc R
H10C H 0.9472 0.4138 0.3012 0.118 Uiso 1 1 calc R
C11 C 0.9075(4) 0.5912(7) 0.4736(6) 0.058(2) Uani 1 1 d .
H11A H 0.8757 0.6036 0.5023 0.087 Uiso 1 1 calc R
H11B H 0.9191 0.6616 0.4522 0.087 Uiso 1 1 calc R
H11C H 0.9361 0.5610 0.5080 0.087 Uiso 1 1 calc R
C12 C 0.8463(5) 0.5639(8) 0.3213(6) 0.066(3) Uani 1 1 d .
H12A H 0.8469 0.5259 0.2717 0.099 Uiso 1 1 calc R
H12B H 0.8584 0.6404 0.3158 0.099 Uiso 1 1 calc R
H12C H 0.8098 0.5637 0.3383 0.099 Uiso 1 1 calc R
C13 C 0.5480(3) 0.2294(7) 0.4249(5) 0.0456(19) Uani 1 1 d .
H13A H 0.5127 0.2320 0.4470 0.055 Uiso 1 1 calc R
H13B H 0.5630 0.1541 0.4318 0.055 Uiso 1 1 calc R
C14 C 0.5436(5) 0.2610(10) 0.3413(5) 0.067(3) Uani 1 1 d .
H14A H 0.5069 0.2486 0.3191 0.080 Uiso 1 1 calc R
H14B H 0.5686 0.2166 0.3121 0.080 Uiso 1 1 calc R
C15 C 0.5579(4) 0.3826(9) 0.3388(4) 0.058(2) Uani 1 1 d .
H15A H 0.5282 0.4262 0.3143 0.069 Uiso 1 1 calc R
H15B H 0.5901 0.3942 0.3098 0.069 Uiso 1 1 calc R
C16 C 0.5683(3) 0.4164(7) 0.4227(4) 0.0440(18) Uani 1 1 d .
H16A H 0.5975 0.4714 0.4286 0.053 Uiso 1 1 calc R
H16B H 0.5359 0.4475 0.4439 0.053 Uiso 1 1 calc R
C17 C 0.6770(3) 0.2640(8) 0.7532(4) 0.047(2) Uani 1 1 d D
H17A H 0.7046 0.3158 0.7366 0.057 Uiso 1 1 calc R
H17B H 0.6865 0.1884 0.7370 0.057 Uiso 1 1 calc R
C18 C 0.6747(5) 0.268(2) 0.8377(5) 0.148(9) Uani 1 1 d D
H18A H 0.6889 0.1988 0.8612 0.177 Uiso 1 1 calc R
H18B H 0.6960 0.3310 0.8591 0.177 Uiso 1 1 calc R
C19 C 0.6179(5) 0.2820(16) 0.8526(6) 0.115(7) Uani 1 1 d D
H19A H 0.6138 0.3427 0.8898 0.138 Uiso 1 1 calc R
H19B H 0.6039 0.2131 0.8744 0.138 Uiso 1 1 calc R
C20 C 0.5881(4) 0.3084(8) 0.7787(4) 0.049(2) Uani 1 1 d D
H20A H 0.5573 0.2578 0.7699 0.059 Uiso 1 1 calc R
H20B H 0.5747 0.3855 0.7790 0.059 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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
N2 Yb1 N1 120.1(2) 7_656 .
N2 Yb1 O2 93.00(18) 7_656 .
N1 Yb1 O2 91.2(2) . .
N2 Yb1 O1 91.82(18) 7_656 .
N1 Yb1 O1 94.48(18) . .
O2 Yb1 O1 169.48(18) . .
N2 Yb1 Cl1 118.24(16) 7_656 .
N1 Yb1 Cl1 121.63(16) . .
O2 Yb1 Cl1 87.03(14) . .
O1 Yb1 Cl1 82.45(13) . .
N2 Yb1 C4 26.03(19) 7_656 7_656
N1 Yb1 C4 95.66(19) . 7_656
O2 Yb1 C4 103.42(18) . 7_656
O1 Yb1 C4 84.87(17) . 7_656
Cl1 Yb1 C4 141.30(13) . 7_656
N2 Yb1 C1 98.18(19) 7_656 .
N1 Yb1 C1 23.22(19) . .
O2 Yb1 C1 100.68(18) . .
O1 Yb1 C1 87.87(17) . .
Cl1 Yb1 C1 142.44(13) . .
C4 Yb1 C1 72.90(17) 7_656 .
N2 Yb1 Si1 141.89(15) 7_656 .
N1 Yb1 Si1 23.87(15) . .
O2 Yb1 Si1 81.38(14) . .
O1 Yb1 Si1 100.43(12) . .
Cl1 Yb1 Si1 99.19(6) . .
C4 Yb1 Si1 119.04(13) 7_656 .
C1 Yb1 Si1 47.09(12) . .
N2 Yb1 Si2 21.51(15) 7_656 7_656
N1 Yb1 Si2 139.13(15) . 7_656
O2 Yb1 Si2 83.17(13) . 7_656
O1 Yb1 Si2 98.18(12) . 7_656
Cl1 Yb1 Si2 98.55(6) . 7_656
C4 Yb1 Si2 47.53(13) 7_656 7_656
C1 Yb1 Si2 118.77(13) . 7_656
Si1 Yb1 Si2 155.75(5) . 7_656
N1 Si1 C8 110.9(3) . .
N1 Si1 C7 108.8(3) . .
C8 Si1 C7 109.0(4) . .
N1 Si1 C9 114.2(3) . .
C8 Si1 C9 107.3(4) . .
C7 Si1 C9 106.4(4) . .
N1 Si1 Yb1 30.54(18) . .
C8 Si1 Yb1 133.6(3) . .
C7 Si1 Yb1 80.6(3) . .
C9 Si1 Yb1 113.2(3) . .
N2 Si2 C12 112.0(4) . .
N2 Si2 C11 112.1(4) . .
C12 Si2 C11 107.0(5) . .
N2 Si2 C10 109.7(4) . .
C12 Si2 C10 108.0(6) . .
C11 Si2 C10 107.7(5) . .
N2 Si2 Yb1 27.86(18) . 7_656
C12 Si2 Yb1 120.9(3) . 7_656
C11 Si2 Yb1 125.5(3) . 7_656
C10 Si2 Yb1 82.0(3) . 7_656
C13 O1 C16 105.3(5) . .
C13 O1 Yb1 121.3(4) . .
C16 O1 Yb1 122.9(4) . .
C17 O2 C20 109.3(5) . .
C17 O2 Yb1 119.9(4) . .
C20 O2 Yb1 130.5(4) . .
C1 N1 Si1 114.4(4) . .
C1 N1 Yb1 120.0(4) . .
Si1 N1 Yb1 125.6(3) . .
C4 N2 Si2 116.9(4) . .
C4 N2 Yb1 112.5(4) . 7_656
Si2 N2 Yb1 130.6(3) . 7_656
C2 C1 C6 115.8(6) . .
C2 C1 N1 121.4(6) . .
C6 C1 N1 122.7(6) . .
C2 C1 Yb1 101.7(4) . .
C6 C1 Yb1 131.3(5) . .
N1 C1 Yb1 36.8(3) . .
C3 C2 C1 121.6(7) . .
C3 C2 H2 119.2 . .
C1 C2 H2 119.2 . .
C4 C3 C2 122.9(6) . .
C4 C3 H3 118.6 . .
C2 C3 H3 118.6 . .
C3 C4 C5 116.5(6) . .
C3 C4 N2 121.9(6) . .
C5 C4 N2 121.6(6) . .
C3 C4 Yb1 110.4(5) . 7_656
C5 C4 Yb1 116.4(5) . 7_656
N2 C4 Yb1 41.5(3) . 7_656
C6 C5 C4 121.0(7) . .
C6 C5 H5 119.5 . .
C4 C5 H5 119.5 . .
C5 C6 C1 122.1(6) . .
C5 C6 H6 118.9 . .
C1 C6 H6 118.9 . .
Si1 C7 H7A 109.5 . .
Si1 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
Si1 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
Si1 C8 H8A 109.5 . .
Si1 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
Si1 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
Si1 C9 H9A 109.5 . .
Si1 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
Si1 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
Si2 C10 H10A 109.5 . .
Si2 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
Si2 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
Si2 C11 H11A 109.5 . .
Si2 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
Si2 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
Si2 C12 H12A 109.5 . .
Si2 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
Si2 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
O1 C13 C14 104.2(7) . .
O1 C13 H13A 110.9 . .
C14 C13 H13A 110.9 . .
O1 C13 H13B 110.9 . .
C14 C13 H13B 110.9 . .
H13A C13 H13B 108.9 . .
C13 C14 C15 105.7(7) . .
C13 C14 H14A 110.6 . .
C15 C14 H14A 110.6 . .
C13 C14 H14B 110.6 . .
C15 C14 H14B 110.6 . .
H14A C14 H14B 108.7 . .
C14 C15 C16 105.0(7) . .
C14 C15 H15A 110.7 . .
C16 C15 H15A 110.7 . .
C14 C15 H15B 110.7 . .
C16 C15 H15B 110.7 . .
H15A C15 H15B 108.8 . .
O1 C16 C15 102.8(7) . .
O1 C16 H16A 111.2 . .
C15 C16 H16A 111.2 . .
O1 C16 H16B 111.2 . .
C15 C16 H16B 111.2 . .
H16A C16 H16B 109.1 . .
O2 C17 C18 108.9(7) . .
O2 C17 H17A 109.9 . .
C18 C17 H17A 109.9 . .
O2 C17 H17B 109.9 . .
C18 C17 H17B 109.9 . .
H17A C17 H17B 108.3 . .
C19 C18 C17 106.0(8) . .
C19 C18 H18A 110.5 . .
C17 C18 H18A 110.5 . .
C19 C18 H18B 110.5 . .
C17 C18 H18B 110.5 . .
H18A C18 H18B 108.7 . .
C18 C19 C20 108.3(8) . .
C18 C19 H19A 110.0 . .
C20 C19 H19A 110.0 . .
C18 C19 H19B 110.0 . .
C20 C19 H19B 110.0 . .
H19A C19 H19B 108.4 . .
O2 C20 C19 106.3(7) . .
O2 C20 H20A 110.5 . .
C19 C20 H20A 110.5 . .
O2 C20 H20B 110.5 . .
C19 C20 H20B 110.5 . .
H20A C20 H20B 108.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Yb1 N2 2.173(6) 7_656
Yb1 N1 2.174(6) .
Yb1 O2 2.292(5) .
Yb1 O1 2.306(4) .
Yb1 Cl1 2.5361(17) .
Yb1 C4 3.031(6) 7_656
Yb1 C1 3.144(6) .
Yb1 Si1 3.479(2) .
Yb1 Si2 3.530(2) 7_656
Si1 N1 1.731(6) .
Si1 C8 1.864(8) .
Si1 C7 1.870(8) .
Si1 C9 1.882(7) .
Si2 N2 1.705(6) .
Si2 C12 1.866(9) .
Si2 C11 1.876(9) .
Si2 C10 1.877(9) .
Si2 Yb1 3.530(2) 7_656
O1 C13 1.450(9) .
O1 C16 1.465(9) .
O2 C17 1.432(9) .
O2 C20 1.468(9) .
N1 C1 1.432(8) .
N2 C4 1.440(8) .
N2 Yb1 2.173(6) 7_656
C1 C2 1.393(9) .
C1 C6 1.400(10) .
C2 C3 1.380(10) .
C2 H2 0.9500 .
C3 C4 1.375(10) .
C3 H3 0.9500 .
C4 C5 1.395(10) .
C4 Yb1 3.031(6) 7_656
C5 C6 1.391(10) .
C5 H5 0.9500 .
C6 H6 0.9500 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
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 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 C14 1.506(12) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 C15 1.514(16) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 C16 1.529(11) .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C17 C18 1.480(10) .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 C19 1.476(13) .
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C19 C20 1.487(11) .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C20 H20A 0.9900 .
C20 H20B 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_4
N2 Yb1 Si1 N1 29.4(4) 7_656 .
O2 Yb1 Si1 N1 113.2(4) . .
O1 Yb1 Si1 N1 -77.3(4) . .
Cl1 Yb1 Si1 N1 -161.3(4) . .
C4 Yb1 Si1 N1 12.6(4) 7_656 .
C1 Yb1 Si1 N1 -0.2(4) . .
Si2 Yb1 Si1 N1 62.2(4) 7_656 .
N2 Yb1 Si1 C8 79.3(5) 7_656 .
N1 Yb1 Si1 C8 49.9(5) . .
O2 Yb1 Si1 C8 163.1(4) . .
O1 Yb1 Si1 C8 -27.4(4) . .
Cl1 Yb1 Si1 C8 -111.4(4) . .
C4 Yb1 Si1 C8 62.5(4) 7_656 .
C1 Yb1 Si1 C8 49.7(4) . .
Si2 Yb1 Si1 C8 112.1(4) 7_656 .
N2 Yb1 Si1 C7 -173.3(4) 7_656 .
N1 Yb1 Si1 C7 157.3(5) . .
O2 Yb1 Si1 C7 -89.5(3) . .
O1 Yb1 Si1 C7 80.0(3) . .
Cl1 Yb1 Si1 C7 -4.0(3) . .
C4 Yb1 Si1 C7 169.9(3) 7_656 .
C1 Yb1 Si1 C7 157.1(3) . .
Si2 Yb1 Si1 C7 -140.5(3) 7_656 .
N2 Yb1 Si1 C9 -69.4(4) 7_656 .
N1 Yb1 Si1 C9 -98.8(5) . .
O2 Yb1 Si1 C9 14.4(3) . .
O1 Yb1 Si1 C9 -176.1(3) . .
Cl1 Yb1 Si1 C9 99.9(3) . .
C4 Yb1 Si1 C9 -86.2(3) 7_656 .
C1 Yb1 Si1 C9 -99.0(4) . .
Si2 Yb1 Si1 C9 -36.6(3) 7_656 .
N2 Yb1 O1 C13 49.9(5) 7_656 .
N1 Yb1 O1 C13 170.3(5) . .
O2 Yb1 O1 C13 -67.4(11) . .
Cl1 Yb1 O1 C13 -68.3(5) . .
C4 Yb1 O1 C13 75.0(5) 7_656 .
C1 Yb1 O1 C13 148.1(5) . .
Si1 Yb1 O1 C13 -166.3(5) . .
Si2 Yb1 O1 C13 29.3(5) 7_656 .
N2 Yb1 O1 C16 -170.3(5) 7_656 .
N1 Yb1 O1 C16 -49.9(5) . .
O2 Yb1 O1 C16 72.4(11) . .
Cl1 Yb1 O1 C16 71.4(5) . .
C4 Yb1 O1 C16 -145.2(5) 7_656 .
C1 Yb1 O1 C16 -72.2(5) . .
Si1 Yb1 O1 C16 -26.6(5) . .
Si2 Yb1 O1 C16 169.0(5) 7_656 .
N2 Yb1 O2 C17 57.2(6) 7_656 .
N1 Yb1 O2 C17 -63.0(6) . .
O1 Yb1 O2 C17 174.4(9) . .
Cl1 Yb1 O2 C17 175.4(6) . .
C4 Yb1 O2 C17 33.1(6) 7_656 .
C1 Yb1 O2 C17 -41.7(6) . .
Si1 Yb1 O2 C17 -84.9(6) . .
Si2 Yb1 O2 C17 76.4(6) 7_656 .
N2 Yb1 O2 C20 -117.0(7) 7_656 .
N1 Yb1 O2 C20 122.8(7) . .
O1 Yb1 O2 C20 0.2(14) . .
Cl1 Yb1 O2 C20 1.2(6) . .
C4 Yb1 O2 C20 -141.1(6) 7_656 .
C1 Yb1 O2 C20 144.1(6) . .
Si1 Yb1 O2 C20 100.9(6) . .
Si2 Yb1 O2 C20 -97.8(6) 7_656 .
C8 Si1 N1 C1 36.1(6) . .
C7 Si1 N1 C1 156.0(5) . .
C9 Si1 N1 C1 -85.4(6) . .
Yb1 Si1 N1 C1 179.7(7) . .
C8 Si1 N1 Yb1 -143.6(4) . .
C7 Si1 N1 Yb1 -23.7(5) . .
C9 Si1 N1 Yb1 95.0(5) . .
N2 Yb1 N1 C1 20.8(5) 7_656 .
O2 Yb1 N1 C1 115.0(5) . .
O1 Yb1 N1 C1 -73.9(5) . .
Cl1 Yb1 N1 C1 -157.8(4) . .
C4 Yb1 N1 C1 11.4(5) 7_656 .
Si1 Yb1 N1 C1 -179.7(7) . .
Si2 Yb1 N1 C1 34.1(6) 7_656 .
N2 Yb1 N1 Si1 -159.5(3) 7_656 .
O2 Yb1 N1 Si1 -65.4(4) . .
O1 Yb1 N1 Si1 105.8(3) . .
Cl1 Yb1 N1 Si1 21.9(4) . .
C4 Yb1 N1 Si1 -169.0(3) 7_656 .
C1 Yb1 N1 Si1 179.7(7) . .
Si2 Yb1 N1 Si1 -146.3(2) 7_656 .
C12 Si2 N2 C4 -62.8(6) . .
C11 Si2 N2 C4 57.5(6) . .
C10 Si2 N2 C4 177.2(6) . .
Yb1 Si2 N2 C4 -177.6(7) 7_656 .
C12 Si2 N2 Yb1 114.8(5) . 7_656
C11 Si2 N2 Yb1 -124.8(5) . 7_656
C10 Si2 N2 Yb1 -5.2(6) . 7_656
Si1 N1 C1 C2 -114.6(7) . .
Yb1 N1 C1 C2 65.1(8) . .
Si1 N1 C1 C6 63.5(8) . .
Yb1 N1 C1 C6 -116.8(6) . .
Si1 N1 C1 Yb1 -179.7(6) . .
N2 Yb1 C1 C2 70.3(5) 7_656 .
N1 Yb1 C1 C2 -127.7(7) . .
O2 Yb1 C1 C2 165.0(5) . .
O1 Yb1 C1 C2 -21.2(5) . .
Cl1 Yb1 C1 C2 -95.9(5) . .
C4 Yb1 C1 C2 64.1(5) 7_656 .
Si1 Yb1 C1 C2 -127.6(5) . .
Si2 Yb1 C1 C2 77.0(5) 7_656 .
N2 Yb1 C1 C6 -70.4(7) 7_656 .
N1 Yb1 C1 C6 91.5(8) . .
O2 Yb1 C1 C6 24.3(7) . .
O1 Yb1 C1 C6 -161.9(6) . .
Cl1 Yb1 C1 C6 123.4(6) . .
C4 Yb1 C1 C6 -76.6(6) 7_656 .
Si1 Yb1 C1 C6 91.7(6) . .
Si2 Yb1 C1 C6 -63.7(7) 7_656 .
N2 Yb1 C1 N1 -161.9(5) 7_656 .
O2 Yb1 C1 N1 -67.3(5) . .
O1 Yb1 C1 N1 106.6(5) . .
Cl1 Yb1 C1 N1 31.9(6) . .
C4 Yb1 C1 N1 -168.2(5) 7_656 .
Si1 Yb1 C1 N1 0.2(4) . .
Si2 Yb1 C1 N1 -155.3(4) 7_656 .
C6 C1 C2 C3 -1.4(12) . .
N1 C1 C2 C3 176.9(7) . .
Yb1 C1 C2 C3 -149.5(7) . .
C1 C2 C3 C4 -0.1(13) . .
C2 C3 C4 C5 1.4(12) . .
C2 C3 C4 N2 -178.0(7) . .
C2 C3 C4 Yb1 137.2(7) . 7_656
Si2 N2 C4 C3 92.8(7) . .
Yb1 N2 C4 C3 -85.2(7) 7_656 .
Si2 N2 C4 C5 -86.6(7) . .
Yb1 N2 C4 C5 95.3(7) 7_656 .
Si2 N2 C4 Yb1 178.1(6) . 7_656
C3 C4 C5 C6 -1.2(12) . .
N2 C4 C5 C6 178.3(7) . .
Yb1 C4 C5 C6 -134.3(7) 7_656 .
C4 C5 C6 C1 -0.3(13) . .
C2 C1 C6 C5 1.6(12) . .
N1 C1 C6 C5 -176.6(7) . .
Yb1 C1 C6 C5 138.0(7) . .
C16 O1 C13 C14 39.9(8) . .
Yb1 O1 C13 C14 -174.3(6) . .
O1 C13 C14 C15 -22.8(10) . .
C13 C14 C15 C16 -1.7(11) . .
C13 O1 C16 C15 -40.6(8) . .
Yb1 O1 C16 C15 174.4(5) . .
C14 C15 C16 O1 25.1(9) . .
C20 O2 C17 C18 -5.2(14) . .
Yb1 O2 C17 C18 179.4(11) . .
O2 C17 C18 C19 10.1(19) . .
C17 C18 C19 C20 -11(2) . .
C17 O2 C20 C19 -1.7(12) . .
Yb1 O2 C20 C19 173.0(9) . .
C18 C19 C20 O2 8.0(18) . .
