#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/11/4301186.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_4301186
loop_
_publ_author_name
'Junfeng Wang'
'Yingming Yao'
'Yong Zhang'
'Qi Shen'
_publ_section_title
;
Bridged Bis(amidinate) Ytterbium Alkoxide and Phenoxide: Syntheses,
Structures, and Their High Activity for Controlled Polymerization
of l-Lactide and ε-Caprolactone
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              744
_journal_page_last               751
_journal_paper_doi               10.1021/ic801189j
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C52 H82 N8 O2 Si4 Yb2'
_chemical_formula_sum            'C52 H82 N8 O2 Si4 Yb2'
_chemical_formula_weight         1309.70
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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                109.501(9)
_cell_angle_beta                 99.684(9)
_cell_angle_gamma                104.004(12)
_cell_formula_units_Z            1
_cell_length_a                   10.5426(3)
_cell_length_b                   10.7834(5)
_cell_length_c                   15.2118(6)
_cell_measurement_reflns_used    6474
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      25.3
_cell_measurement_theta_min      3.0
_cell_volume                     1522.0(2)
_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 0.993
_diffrn_measured_fraction_theta_max 0.993
_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  0.0300
_diffrn_reflns_av_sigmaI/netI    0.0366
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            15165
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.02
_exptl_absorpt_coefficient_mu    3.174
_exptl_absorpt_correction_T_max  0.7419
_exptl_absorpt_correction_T_min  0.4494
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.429
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             662
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.280
_refine_diff_density_min         -1.198
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.125
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         5525
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.125
_refine_ls_R_factor_all          0.0301
_refine_ls_R_factor_gt           0.0269
_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)+(0.0314P)²+0.2324P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0618
_refine_ls_wR_factor_ref         0.0636
_reflns_number_gt                5181
_reflns_number_total             5525
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic801189j_si_001_2.cif
_cod_data_source_block           complex2
_cod_original_cell_volume        1521.96(10)
_cod_original_sg_symbol_Hall     '-p 1'
_cod_database_code               4301186
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 0.500339(13) 0.057137(14) 0.620427(9) 0.01943(6) Uani 1 1 d . . .
Si1 Si 0.76684(11) 0.22935(12) 0.86303(7) 0.0328(2) Uani 1 1 d . . .
Si2 Si 0.73726(11) -0.01911(12) 0.22104(8) 0.0320(2) Uani 1 1 d . . .
O1 O 0.6328(2) 0.0072(2) 0.52451(16) 0.0214(5) Uani 1 1 d . . .
N1 N 0.6631(3) 0.2255(3) 0.7605(2) 0.0265(7) Uani 1 1 d . . .
N2 N 0.5551(3) 0.2952(3) 0.6532(2) 0.0264(7) Uani 1 1 d . . .
N3 N 0.6477(3) 0.0387(3) 0.3023(2) 0.0254(7) Uani 1 1 d . . .
N4 N 0.5316(3) 0.1642(3) 0.3841(2) 0.0265(7) Uani 1 1 d . . .
C1 C 0.6462(3) 0.3295(4) 0.7357(2) 0.0238(8) Uani 1 1 d . . .
C2 C 0.6230(3) 0.1593(4) 0.3343(2) 0.0227(7) Uani 1 1 d . . .
C3 C 0.5408(4) 0.4020(4) 0.6163(3) 0.0292(8) Uani 1 1 d . . .
H3A H 0.5889 0.4948 0.6687 0.035 Uiso 1 1 calc R . .
H3B H 0.4435 0.3932 0.5978 0.035 Uiso 1 1 calc R . .
C4 C 0.5974(4) 0.3922(4) 0.5284(3) 0.0305(8) Uani 1 1 d . . .
H4A H 0.6795 0.3636 0.5376 0.037 Uiso 1 1 calc R . .
H4B H 0.6265 0.4861 0.5276 0.037 Uiso 1 1 calc R . .
C5 C 0.5001(4) 0.2917(4) 0.4287(3) 0.0297(8) Uani 1 1 d . . .
H5A H 0.4068 0.2663 0.4358 0.036 Uiso 1 1 calc R . .
H5B H 0.5011 0.3411 0.3842 0.036 Uiso 1 1 calc R . .
C6 C 0.7277(4) 0.4786(4) 0.7983(3) 0.0314(9) Uani 1 1 d . . .
C7 C 0.6749(5) 0.5592(5) 0.8649(3) 0.0501(12) Uani 1 1 d . . .
H7 H 0.5901 0.5187 0.8739 0.060 Uiso 1 1 calc R . .
C8 C 0.7458(8) 0.6979(6) 0.9179(4) 0.0782(19) Uani 1 1 d . . .
H8 H 0.7086 0.7530 0.9626 0.094 Uiso 1 1 calc R . .
C9 C 0.8691(8) 0.7572(5) 0.9068(5) 0.089(3) Uani 1 1 d . . .
H9 H 0.9173 0.8529 0.9439 0.107 Uiso 1 1 calc R . .
C10 C 0.9232(6) 0.6785(6) 0.8420(5) 0.0759(19) Uani 1 1 d . . .
H10 H 1.0092 0.7195 0.8347 0.091 Uiso 1 1 calc R . .
C11 C 0.8526(4) 0.5393(4) 0.7872(3) 0.0485(12) Uani 1 1 d . . .
H11 H 0.8898 0.4852 0.7420 0.058 Uiso 1 1 calc R . .
C12 C 0.9505(4) 0.3012(6) 0.8736(4) 0.0604(14) Uani 1 1 d . . .
H12A H 0.9719 0.2456 0.8159 0.091 Uiso 1 1 calc R . .
H12B H 1.0049 0.2982 0.9314 0.091 Uiso 1 1 calc R . .
H12C H 0.9715 0.3976 0.8792 0.091 Uiso 1 1 calc R . .
C13 C 0.7293(5) 0.0447(5) 0.8486(3) 0.0514(12) Uani 1 1 d . . .
H13A H 0.6341 0.0067 0.8466 0.077 Uiso 1 1 calc R . .
H13B H 0.7883 0.0394 0.9035 0.077 Uiso 1 1 calc R . .
H13C H 0.7459 -0.0091 0.7881 0.077 Uiso 1 1 calc R . .
C14 C 0.7311(6) 0.3272(6) 0.9771(3) 0.0596(14) Uani 1 1 d . . .
H14A H 0.7571 0.4261 0.9887 0.089 Uiso 1 1 calc R . .
H14B H 0.7835 0.3148 1.0313 0.089 Uiso 1 1 calc R . .
H14C H 0.6340 0.2923 0.9714 0.089 Uiso 1 1 calc R . .
C15 C 0.6939(4) 0.2837(4) 0.3157(3) 0.0271(8) Uani 1 1 d . . .
C16 C 0.8254(4) 0.3637(4) 0.3696(3) 0.0411(10) Uani 1 1 d . . .
H16 H 0.8718 0.3389 0.4170 0.049 Uiso 1 1 calc R . .
C17 C 0.8898(5) 0.4804(5) 0.3546(4) 0.0561(13) Uani 1 1 d . . .
H17 H 0.9800 0.5357 0.3923 0.067 Uiso 1 1 calc R . .
C18 C 0.8251(5) 0.5165(5) 0.2863(4) 0.0538(13) Uani 1 1 d . . .
H18 H 0.8700 0.5966 0.2767 0.065 Uiso 1 1 calc R . .
C19 C 0.6947(5) 0.4368(5) 0.2314(3) 0.0454(11) Uani 1 1 d . . .
H19 H 0.6499 0.4609 0.1829 0.055 Uiso 1 1 calc R . .
C20 C 0.6283(4) 0.3209(4) 0.2468(3) 0.0346(9) Uani 1 1 d . . .
H20 H 0.5375 0.2670 0.2097 0.041 Uiso 1 1 calc R . .
C21 C 0.6950(6) 0.0180(5) 0.1105(3) 0.0547(13) Uani 1 1 d . . .
H21A H 0.5982 -0.0288 0.0771 0.082 Uiso 1 1 calc R . .
H21B H 0.7490 -0.0160 0.0671 0.082 Uiso 1 1 calc R . .
H21C H 0.7156 0.1184 0.1291 0.082 Uiso 1 1 calc R . .
C22 C 0.6866(5) -0.2118(4) 0.1861(3) 0.0465(11) Uani 1 1 d . . .
H22A H 0.7078 -0.2315 0.2443 0.070 Uiso 1 1 calc R . .
H22B H 0.7366 -0.2513 0.1413 0.070 Uiso 1 1 calc R . .
H22C H 0.5888 -0.2533 0.1545 0.070 Uiso 1 1 calc R . .
C23 C 0.9252(5) 0.0536(6) 0.2748(4) 0.0581(13) Uani 1 1 d . . .
H23A H 0.9545 0.1545 0.2938 0.087 Uiso 1 1 calc R . .
H23B H 0.9703 0.0121 0.2269 0.087 Uiso 1 1 calc R . .
H23C H 0.9495 0.0325 0.3320 0.087 Uiso 1 1 calc R . .
C24 C 0.7698(3) 0.0136(4) 0.5584(3) 0.0261(8) Uani 1 1 d . . .
H24 H 0.7792 -0.0043 0.6192 0.031 Uiso 1 1 calc R . .
C25 C 0.8641(4) 0.1573(4) 0.5820(3) 0.0449(11) Uani 1 1 d . . .
H25A H 0.8573 0.1761 0.5229 0.067 Uiso 1 1 calc R . .
H25B H 0.9578 0.1629 0.6082 0.067 Uiso 1 1 calc R . .
H25C H 0.8385 0.2262 0.6301 0.067 Uiso 1 1 calc R . .
C26 C 0.8053(4) -0.0964(4) 0.4843(3) 0.0379(10) Uani 1 1 d . . .
H26A H 0.7387 -0.1875 0.4673 0.057 Uiso 1 1 calc R . .
H26B H 0.8961 -0.0970 0.5114 0.057 Uiso 1 1 calc R . .
H26C H 0.8039 -0.0760 0.4261 0.057 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
O1 Yb1 O1 76.59(9) 2_656 . ?
O1 Yb1 N4 95.69(10) 2_656 2_656 ?
O1 Yb1 N4 85.08(9) . 2_656 ?
O1 Yb1 N1 151.57(10) 2_656 . ?
O1 Yb1 N1 99.94(9) . . ?
N4 Yb1 N1 112.26(10) 2_656 . ?
O1 Yb1 N2 94.30(9) 2_656 . ?
O1 Yb1 N2 98.09(10) . . ?
N4 Yb1 N2 169.97(10) 2_656 . ?
N1 Yb1 N2 57.88(10) . . ?
O1 Yb1 N3 102.19(9) 2_656 2_656 ?
O1 Yb1 N3 142.78(10) . 2_656 ?
N4 Yb1 N3 57.83(10) 2_656 2_656 ?
N1 Yb1 N3 97.25(10) . 2_656 ?
N2 Yb1 N3 118.97(10) . 2_656 ?
O1 Yb1 C2 99.24(9) 2_656 2_656 ?
O1 Yb1 C2 113.69(9) . 2_656 ?
N4 Yb1 C2 28.73(10) 2_656 2_656 ?
N1 Yb1 C2 107.74(10) . 2_656 ?
N2 Yb1 C2 147.52(10) . 2_656 ?
N3 Yb1 C2 29.12(10) 2_656 2_656 ?
O1 Yb1 C1 122.84(10) 2_656 . ?
O1 Yb1 C1 100.18(9) . . ?
N4 Yb1 C1 141.38(11) 2_656 . ?
N1 Yb1 C1 29.13(10) . . ?
N2 Yb1 C1 28.75(10) . . ?
N3 Yb1 C1 110.60(10) 2_656 . ?
C2 Yb1 C1 131.22(10) 2_656 . ?
O1 Yb1 Yb1 38.56(6) 2_656 2_656 ?
O1 Yb1 Yb1 38.03(6) . 2_656 ?
N4 Yb1 Yb1 90.45(7) 2_656 2_656 ?
N1 Yb1 Yb1 131.87(7) . 2_656 ?
N2 Yb1 Yb1 97.91(7) . 2_656 ?
N3 Yb1 Yb1 130.10(7) 2_656 2_656 ?
C2 Yb1 Yb1 111.05(7) 2_656 2_656 ?
C1 Yb1 Yb1 117.17(7) . 2_656 ?
N1 Si1 C14 113.25(19) . . ?
N1 Si1 C12 112.54(18) . . ?
C14 Si1 C12 108.8(3) . . ?
N1 Si1 C13 105.44(17) . . ?
C14 Si1 C13 108.2(2) . . ?
C12 Si1 C13 108.3(2) . . ?
N3 Si2 C21 112.74(18) . . ?
N3 Si2 C23 113.2(2) . . ?
C21 Si2 C23 108.4(2) . . ?
N3 Si2 C22 105.18(17) . . ?
C21 Si2 C22 109.4(2) . . ?
C23 Si2 C22 107.8(2) . . ?
C24 O1 Yb1 132.8(2) . 2_656 ?
C24 O1 Yb1 123.74(19) . . ?
Yb1 O1 Yb1 103.41(9) 2_656 . ?
C1 N1 Si1 130.3(3) . . ?
C1 N1 Yb1 92.6(2) . . ?
Si1 N1 Yb1 137.10(16) . . ?
C1 N2 C3 120.0(3) . . ?
C1 N2 Yb1 92.6(2) . . ?
C3 N2 Yb1 146.8(2) . . ?
C2 N3 Si2 130.3(2) . . ?
C2 N3 Yb1 91.9(2) . 2_656 ?
Si2 N3 Yb1 137.22(16) . 2_656 ?
C2 N4 C5 122.0(3) . . ?
C2 N4 Yb1 94.3(2) . 2_656 ?
C5 N4 Yb1 143.0(2) . 2_656 ?
N2 C1 N1 116.9(3) . . ?
N2 C1 C6 121.5(3) . . ?
N1 C1 C6 121.6(3) . . ?
N2 C1 Yb1 58.64(18) . . ?
N1 C1 Yb1 58.27(18) . . ?
C6 C1 Yb1 179.2(3) . . ?
N4 C2 N3 115.9(3) . . ?
N4 C2 C15 121.3(3) . . ?
N3 C2 C15 122.8(3) . . ?
N4 C2 Yb1 56.94(17) . 2_656 ?
N3 C2 Yb1 59.03(17) . 2_656 ?
C15 C2 Yb1 176.6(2) . 2_656 ?
N2 C3 C4 113.1(3) . . ?
N2 C3 H3A 108.9 . . ?
C4 C3 H3A 108.9 . . ?
N2 C3 H3B 108.9 . . ?
C4 C3 H3B 108.9 . . ?
H3A C3 H3B 107.8 . . ?
C3 C4 C5 116.2(3) . . ?
C3 C4 H4A 108.2 . . ?
C5 C4 H4A 108.2 . . ?
C3 C4 H4B 108.2 . . ?
C5 C4 H4B 108.2 . . ?
H4A C4 H4B 107.4 . . ?
N4 C5 C4 115.0(3) . . ?
N4 C5 H5A 108.5 . . ?
C4 C5 H5A 108.5 . . ?
N4 C5 H5B 108.5 . . ?
C4 C5 H5B 108.5 . . ?
H5A C5 H5B 107.5 . . ?
C11 C6 C7 119.1(4) . . ?
C11 C6 C1 120.8(4) . . ?
C7 C6 C1 119.9(4) . . ?
C8 C7 C6 119.9(5) . . ?
C8 C7 H7 120.0 . . ?
C6 C7 H7 120.0 . . ?
C9 C8 C7 120.7(6) . . ?
C9 C8 H8 119.6 . . ?
C7 C8 H8 119.6 . . ?
C8 C9 C10 120.0(5) . . ?
C8 C9 H9 120.0 . . ?
C10 C9 H9 120.0 . . ?
C9 C10 C11 120.1(6) . . ?
C9 C10 H10 120.0 . . ?
C11 C10 H10 120.0 . . ?
C10 C11 C6 120.2(5) . . ?
C10 C11 H11 119.9 . . ?
C6 C11 H11 119.9 . . ?
Si1 C12 H12A 109.5 . . ?
Si1 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si1 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si1 C13 H13A 109.5 . . ?
Si1 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si1 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si1 C14 H14A 109.5 . . ?
Si1 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si1 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 C20 119.2(3) . . ?
C16 C15 C2 119.7(3) . . ?
C20 C15 C2 121.1(3) . . ?
C15 C16 C17 119.9(4) . . ?
C15 C16 H16 120.0 . . ?
C17 C16 H16 120.0 . . ?
C18 C17 C16 120.7(4) . . ?
C18 C17 H17 119.6 . . ?
C16 C17 H17 119.6 . . ?
C17 C18 C19 120.0(4) . . ?
C17 C18 H18 120.0 . . ?
C19 C18 H18 120.0 . . ?
C18 C19 C20 119.9(4) . . ?
C18 C19 H19 120.1 . . ?
C20 C19 H19 120.1 . . ?
C15 C20 C19 120.3(4) . . ?
C15 C20 H20 119.8 . . ?
C19 C20 H20 119.8 . . ?
Si2 C21 H21A 109.5 . . ?
Si2 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
Si2 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si2 C22 H22A 109.5 . . ?
Si2 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Si2 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Si2 C23 H23A 109.5 . . ?
Si2 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Si2 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
O1 C24 C25 109.6(3) . . ?
O1 C24 C26 110.6(3) . . ?
C25 C24 C26 111.5(3) . . ?
O1 C24 H24 108.4 . . ?
C25 C24 H24 108.4 . . ?
C26 C24 H24 108.4 . . ?
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 . . ?
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 O1 2.186(2) 2_656 ?
Yb1 O1 2.212(2) . ?
Yb1 N4 2.304(3) 2_656 ?
Yb1 N1 2.337(3) . ?
Yb1 N2 2.346(3) . ?
Yb1 N3 2.352(3) 2_656 ?
Yb1 C2 2.742(3) 2_656 ?
Yb1 C1 2.745(3) . ?
Yb1 Yb1 3.4518(4) 2_656 ?
Si1 N1 1.730(3) . ?
Si1 C14 1.859(5) . ?
Si1 C12 1.861(5) . ?
Si1 C13 1.862(4) . ?
Si2 N3 1.724(3) . ?
Si2 C21 1.862(4) . ?
Si2 C23 1.866(5) . ?
Si2 C22 1.875(4) . ?
O1 C24 1.427(4) . ?
O1 Yb1 2.186(2) 2_656 ?
N1 C1 1.338(4) . ?
N2 C1 1.321(4) . ?
N2 C3 1.467(4) . ?
N3 C2 1.335(4) . ?
N3 Yb1 2.352(3) 2_656 ?
N4 C2 1.322(4) . ?
N4 C5 1.461(5) . ?
N4 Yb1 2.304(3) 2_656 ?
C1 C6 1.505(5) . ?
C2 C15 1.509(5) . ?
C2 Yb1 2.742(3) 2_656 ?
C3 C4 1.536(5) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C5 1.539(5) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C11 1.386(6) . ?
C6 C7 1.387(6) . ?
C7 C8 1.377(7) . ?
C7 H7 0.9500 . ?
C8 C9 1.368(10) . ?
C8 H8 0.9500 . ?
C9 C10 1.371(10) . ?
C9 H9 0.9500 . ?
C10 C11 1.385(7) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.380(5) . ?
C15 C20 1.382(5) . ?
C16 C17 1.389(6) . ?
C16 H16 0.9500 . ?
C17 C18 1.361(7) . ?
C17 H17 0.9500 . ?
C18 C19 1.375(7) . ?
C18 H18 0.9500 . ?
C19 C20 1.391(6) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C25 1.510(5) . ?
C24 C26 1.510(5) . ?
C24 H24 1.0000 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 Yb1 O1 C24 -177.5(3) 2_656 . . . ?
N4 Yb1 O1 C24 -80.4(2) 2_656 . . . ?
N1 Yb1 O1 C24 31.4(2) . . . . ?
N2 Yb1 O1 C24 90.0(2) . . . . ?
N3 Yb1 O1 C24 -84.9(3) 2_656 . . . ?
C2 Yb1 O1 C24 -83.1(2) 2_656 . . . ?
C1 Yb1 O1 C24 61.0(2) . . . . ?
Yb1 Yb1 O1 C24 -177.5(3) 2_656 . . . ?
O1 Yb1 O1 Yb1 0.0 2_656 . . 2_656 ?
N4 Yb1 O1 Yb1 97.06(11) 2_656 . . 2_656 ?
N1 Yb1 O1 Yb1 -151.17(10) . . . 2_656 ?
N2 Yb1 O1 Yb1 -92.52(10) . . . 2_656 ?
N3 Yb1 O1 Yb1 92.58(16) 2_656 . . 2_656 ?
C2 Yb1 O1 Yb1 94.34(11) 2_656 . . 2_656 ?
C1 Yb1 O1 Yb1 -121.57(10) . . . 2_656 ?
C14 Si1 N1 C1 59.3(4) . . . . ?
C12 Si1 N1 C1 -64.6(4) . . . . ?
C13 Si1 N1 C1 177.4(3) . . . . ?
C14 Si1 N1 Yb1 -117.9(3) . . . . ?
C12 Si1 N1 Yb1 118.2(3) . . . . ?
C13 Si1 N1 Yb1 0.3(3) . . . . ?
O1 Yb1 N1 C1 13.0(3) 2_656 . . . ?
O1 Yb1 N1 C1 93.1(2) . . . . ?
N4 Yb1 N1 C1 -178.16(19) 2_656 . . . ?
N2 Yb1 N1 C1 -0.24(19) . . . . ?
N3 Yb1 N1 C1 -120.0(2) 2_656 . . . ?
C2 Yb1 N1 C1 -147.9(2) 2_656 . . . ?
Yb1 Yb1 N1 C1 69.6(2) 2_656 . . . ?
O1 Yb1 N1 Si1 -169.19(16) 2_656 . . . ?
O1 Yb1 N1 Si1 -89.0(2) . . . . ?
N4 Yb1 N1 Si1 -0.3(3) 2_656 . . . ?
N2 Yb1 N1 Si1 177.6(3) . . . . ?
N3 Yb1 N1 Si1 57.8(2) 2_656 . . . ?
C2 Yb1 N1 Si1 29.9(3) 2_656 . . . ?
C1 Yb1 N1 Si1 177.9(4) . . . . ?
Yb1 Yb1 N1 Si1 -112.5(2) 2_656 . . . ?
O1 Yb1 N2 C1 -173.5(2) 2_656 . . . ?
O1 Yb1 N2 C1 -96.4(2) . . . . ?
N4 Yb1 N2 C1 11.4(7) 2_656 . . . ?
N1 Yb1 N2 C1 0.25(19) . . . . ?
N3 Yb1 N2 C1 80.0(2) 2_656 . . . ?
C2 Yb1 N2 C1 71.8(3) 2_656 . . . ?
Yb1 Yb1 N2 C1 -134.86(19) 2_656 . . . ?
O1 Yb1 N2 C3 -4.1(4) 2_656 . . . ?
O1 Yb1 N2 C3 72.9(4) . . . . ?
N4 Yb1 N2 C3 -179.3(5) 2_656 . . . ?
N1 Yb1 N2 C3 169.6(5) . . . . ?
N3 Yb1 N2 C3 -110.6(4) 2_656 . . . ?
C2 Yb1 N2 C3 -118.9(4) 2_656 . . . ?
C1 Yb1 N2 C3 169.3(6) . . . . ?
Yb1 Yb1 N2 C3 34.5(4) 2_656 . . . ?
C21 Si2 N3 C2 -45.1(4) . . . . ?
C23 Si2 N3 C2 78.4(4) . . . . ?
C22 Si2 N3 C2 -164.2(3) . . . . ?
C21 Si2 N3 Yb1 123.2(3) . . . 2_656 ?
C23 Si2 N3 Yb1 -113.3(3) . . . 2_656 ?
C22 Si2 N3 Yb1 4.1(3) . . . 2_656 ?
C3 N2 C1 N1 -173.7(3) . . . . ?
Yb1 N2 C1 N1 -0.4(3) . . . . ?
C3 N2 C1 C6 5.8(5) . . . . ?
Yb1 N2 C1 C6 179.1(3) . . . . ?
C3 N2 C1 Yb1 -173.3(4) . . . . ?
Si1 N1 C1 N2 -177.7(3) . . . . ?
Yb1 N1 C1 N2 0.4(3) . . . . ?
Si1 N1 C1 C6 2.8(5) . . . . ?
Yb1 N1 C1 C6 -179.1(3) . . . . ?
Si1 N1 C1 Yb1 -178.1(3) . . . . ?
O1 Yb1 C1 N2 7.7(2) 2_656 . . . ?
O1 Yb1 C1 N2 88.3(2) . . . . ?
N4 Yb1 C1 N2 -176.84(18) 2_656 . . . ?
N1 Yb1 C1 N2 -179.6(3) . . . . ?
N3 Yb1 C1 N2 -113.0(2) 2_656 . . . ?
C2 Yb1 C1 N2 -137.3(2) 2_656 . . . ?
Yb1 Yb1 C1 N2 52.1(2) 2_656 . . . ?
O1 Yb1 C1 N1 -172.70(18) 2_656 . . . ?
O1 Yb1 C1 N1 -92.2(2) . . . . ?
N4 Yb1 C1 N1 2.7(3) 2_656 . . . ?
N2 Yb1 C1 N1 179.6(3) . . . . ?
N3 Yb1 C1 N1 66.6(2) 2_656 . . . ?
C2 Yb1 C1 N1 42.3(3) 2_656 . . . ?
Yb1 Yb1 C1 N1 -128.32(18) 2_656 . . . ?
O1 Yb1 C1 C6 -92(21) 2_656 . . . ?
O1 Yb1 C1 C6 -11(21) . . . . ?
N4 Yb1 C1 C6 84(21) 2_656 . . . ?
N1 Yb1 C1 C6 81(21) . . . . ?
N2 Yb1 C1 C6 -99(21) . . . . ?
N3 Yb1 C1 C6 148(21) 2_656 . . . ?
C2 Yb1 C1 C6 123(21) 2_656 . . . ?
Yb1 Yb1 C1 C6 -47(21) 2_656 . . . ?
C5 N4 C2 N3 176.2(3) . . . . ?
Yb1 N4 C2 N3 3.3(3) 2_656 . . . ?
C5 N4 C2 C15 -3.7(5) . . . . ?
Yb1 N4 C2 C15 -176.6(3) 2_656 . . . ?
C5 N4 C2 Yb1 172.9(4) . . . 2_656 ?
Si2 N3 C2 N4 168.9(3) . . . . ?
Yb1 N3 C2 N4 -3.2(3) 2_656 . . . ?
Si2 N3 C2 C15 -11.2(5) . . . . ?
Yb1 N3 C2 C15 176.7(3) 2_656 . . . ?
Si2 N3 C2 Yb1 172.1(3) . . . 2_656 ?
C1 N2 C3 C4 107.1(4) . . . . ?
Yb1 N2 C3 C4 -60.6(6) . . . . ?
N2 C3 C4 C5 85.6(4) . . . . ?
C2 N4 C5 C4 -83.3(4) . . . . ?
Yb1 N4 C5 C4 84.9(5) 2_656 . . . ?
C3 C4 C5 N4 -107.3(4) . . . . ?
N2 C1 C6 C11 -91.3(5) . . . . ?
N1 C1 C6 C11 88.2(5) . . . . ?
Yb1 C1 C6 C11 8(21) . . . . ?
N2 C1 C6 C7 85.5(5) . . . . ?
N1 C1 C6 C7 -95.0(5) . . . . ?
Yb1 C1 C6 C7 -176(100) . . . . ?
C11 C6 C7 C8 0.9(6) . . . . ?
C1 C6 C7 C8 -175.9(4) . . . . ?
C6 C7 C8 C9 -1.0(8) . . . . ?
C7 C8 C9 C10 0.3(9) . . . . ?
C8 C9 C10 C11 0.5(9) . . . . ?
C9 C10 C11 C6 -0.6(8) . . . . ?
C7 C6 C11 C10 -0.1(7) . . . . ?
C1 C6 C11 C10 176.7(4) . . . . ?
N4 C2 C15 C16 102.4(4) . . . . ?
N3 C2 C15 C16 -77.5(5) . . . . ?
Yb1 C2 C15 C16 45(4) 2_656 . . . ?
N4 C2 C15 C20 -76.2(5) . . . . ?
N3 C2 C15 C20 103.9(4) . . . . ?
Yb1 C2 C15 C20 -133(4) 2_656 . . . ?
C20 C15 C16 C17 0.4(6) . . . . ?
C2 C15 C16 C17 -178.3(4) . . . . ?
C15 C16 C17 C18 -0.6(7) . . . . ?
C16 C17 C18 C19 -0.1(8) . . . . ?
C17 C18 C19 C20 1.1(7) . . . . ?
C16 C15 C20 C19 0.6(6) . . . . ?
C2 C15 C20 C19 179.2(4) . . . . ?
C18 C19 C20 C15 -1.4(7) . . . . ?
Yb1 O1 C24 C25 93.5(3) 2_656 . . . ?
Yb1 O1 C24 C25 -89.9(3) . . . . ?
Yb1 O1 C24 C26 -29.7(4) 2_656 . . . ?
Yb1 O1 C24 C26 146.9(2) . . . . ?
