#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:11:05 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179049 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/11/4301185.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_4301185
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         'C39 H61 N4 O3 Si2 Yb'
_chemical_formula_sum            'C39 H61 N4 O3 Si2 Yb'
_chemical_formula_weight         863.14
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 106.648(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.764(2)
_cell_length_b                   8.7551(6)
_cell_length_c                   20.0979(16)
_cell_measurement_reflns_used    12089
_cell_measurement_temperature    213(2)
_cell_measurement_theta_max      25.3
_cell_measurement_theta_min      3.0
_cell_volume                     4174.8(6)
_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      213(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  0.0431
_diffrn_reflns_av_sigmaI/netI    0.0340
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            39562
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.08
_exptl_absorpt_coefficient_mu    2.336
_exptl_absorpt_correction_T_max  0.496
_exptl_absorpt_correction_T_min  0.342
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.373
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1780
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.582
_refine_diff_density_min         -0.765
_refine_diff_density_rms         0.089
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.165
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     455
_refine_ls_number_reflns         7645
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.204
_refine_ls_R_factor_all          0.0583
_refine_ls_R_factor_gt           0.0431
_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)+(0.0222P)²+11.7518P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0798
_refine_ls_wR_factor_ref         0.0853
_reflns_number_gt                6197
_reflns_number_total             7645
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic801189j_si_001_1.cif
_cod_data_source_block           complex1
_cod_original_cell_volume        4174.7(6)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4301185
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Yb1 Yb 0.245865(8) 0.25395(3) 0.223221(10) 0.02234(7) Uani 1 1 d . . .
Si1 Si 0.40101(6) 0.10780(17) 0.22798(8) 0.0304(3) Uani 1 1 d . . .
Si2 Si 0.10088(7) 0.0832(2) 0.24316(10) 0.0450(4) Uani 1 1 d . . .
O1 O 0.27275(14) 0.4029(4) 0.30649(17) 0.0292(8) Uani 1 1 d . . .
O2 O 0.23195(18) -0.0027(4) 0.1766(2) 0.0449(10) Uani 1 1 d . . .
O3 O 0.26990(14) 0.0590(4) 0.31045(18) 0.0291(8) Uani 1 1 d . . .
N1 N 0.33816(18) 0.2077(5) 0.2010(2) 0.0322(11) Uani 1 1 d . . .
N2 N 0.2724(3) 0.3595(9) 0.1336(3) 0.094(3) Uani 1 1 d . . .
N3 N 0.14600(17) 0.2031(5) 0.2164(2) 0.0310(10) Uani 1 1 d . . .
N4 N 0.1714(2) 0.3949(8) 0.1574(3) 0.072(2) Uani 1 1 d . . .
C1 C 0.3230(2) 0.3007(8) 0.1468(3) 0.0455(16) Uani 1 1 d . . .
C2 C 0.1310(2) 0.3012(8) 0.1641(3) 0.0468(16) Uani 1 1 d . . .
C3 C 0.2527(3) 0.4706(13) 0.0778(5) 0.122(5) Uani 1 1 d D . .
H3A H 0.2689 0.5707 0.0939 0.147 Uiso 1 1 calc R . .
H3B H 0.2661 0.4405 0.0383 0.147 Uiso 1 1 calc R . .
C4 C 0.1918(4) 0.4834(15) 0.0549(5) 0.145(6) Uani 1 1 d D . .
H4A H 0.1824 0.5641 0.0197 0.174 Uiso 1 1 calc R . .
H4B H 0.1771 0.3876 0.0314 0.174 Uiso 1 1 calc R . .
C5 C 0.1609(3) 0.5146(10) 0.1040(4) 0.075(2) Uani 1 1 d D . .
H5A H 0.1205 0.5192 0.0798 0.090 Uiso 1 1 calc R . .
H5B H 0.1724 0.6139 0.1260 0.090 Uiso 1 1 calc R . .
C6 C 0.3608(2) 0.3390(7) 0.1020(3) 0.0344(13) Uani 1 1 d . . .
C7 C 0.3887(3) 0.4777(7) 0.1093(3) 0.0478(16) Uani 1 1 d . . .
H7 H 0.3835 0.5492 0.1418 0.057 Uiso 1 1 calc R . .
C8 C 0.4241(3) 0.5122(8) 0.0697(3) 0.0520(17) Uani 1 1 d . . .
H8 H 0.4437 0.6055 0.0761 0.062 Uiso 1 1 calc R . .
C9 C 0.4306(3) 0.4098(9) 0.0208(3) 0.0544(19) Uani 1 1 d . . .
H9 H 0.4549 0.4327 -0.0062 0.065 Uiso 1 1 calc R . .
C10 C 0.4017(3) 0.2741(8) 0.0113(3) 0.0480(16) Uani 1 1 d . . .
H10 H 0.4057 0.2052 -0.0229 0.058 Uiso 1 1 calc R . .
C11 C 0.3666(2) 0.2379(7) 0.0516(3) 0.0387(13) Uani 1 1 d . . .
H11 H 0.3468 0.1449 0.0448 0.046 Uiso 1 1 calc R . .
C12 C 0.0724(2) 0.3094(9) 0.1153(3) 0.0503(18) Uani 1 1 d . . .
C13 C 0.0542(4) 0.2049(10) 0.0655(4) 0.085(3) Uani 1 1 d . . .
H13 H 0.0790 0.1274 0.0606 0.102 Uiso 1 1 calc R . .
C14 C 0.0000(5) 0.2068(13) 0.0209(6) 0.142(6) Uani 1 1 d D . .
H14 H -0.0120 0.1329 -0.0142 0.171 Uiso 1 1 calc R . .
C15 C -0.0359(4) 0.3202(16) 0.0296(7) 0.134(6) Uani 1 1 d D . .
H15 H -0.0734 0.3200 0.0015 0.160 Uiso 1 1 calc R . .
C16 C -0.0185(4) 0.4338(15) 0.0782(6) 0.109(4) Uani 1 1 d D . .
H16 H -0.0429 0.5130 0.0825 0.131 Uiso 1 1 calc R . .
C17 C 0.0364(3) 0.4271(10) 0.1206(4) 0.071(2) Uani 1 1 d . . .
H17 H 0.0497 0.5043 0.1537 0.085 Uiso 1 1 calc R . .
C18 C 0.4004(3) -0.0658(7) 0.1738(3) 0.0465(16) Uani 1 1 d . . .
H18A H 0.3664 -0.1242 0.1702 0.070 Uiso 1 1 calc R . .
H18B H 0.4332 -0.1282 0.1952 0.070 Uiso 1 1 calc R . .
H18C H 0.4014 -0.0352 0.1277 0.070 Uiso 1 1 calc R . .
C19 C 0.4114(3) 0.0476(7) 0.3192(3) 0.0458(16) Uani 1 1 d . . .
H19A H 0.4146 0.1372 0.3484 0.069 Uiso 1 1 calc R . .
H19B H 0.4457 -0.0126 0.3347 0.069 Uiso 1 1 calc R . .
H19C H 0.3795 -0.0134 0.3222 0.069 Uiso 1 1 calc R . .
C20 C 0.4653(2) 0.2184(7) 0.2278(4) 0.0514(17) Uani 1 1 d . . .
H20A H 0.4679 0.2260 0.1807 0.077 Uiso 1 1 calc R . .
H20B H 0.4984 0.1668 0.2567 0.077 Uiso 1 1 calc R . .
H20C H 0.4630 0.3200 0.2461 0.077 Uiso 1 1 calc R . .
C21 C 0.0871(4) -0.0983(9) 0.1919(4) 0.085(3) Uani 1 1 d . . .
H21A H 0.0640 -0.0767 0.1450 0.127 Uiso 1 1 calc R . .
H21B H 0.0675 -0.1697 0.2137 0.127 Uiso 1 1 calc R . .
H21C H 0.1226 -0.1426 0.1903 0.127 Uiso 1 1 calc R . .
C22 C 0.0309(3) 0.1686(11) 0.2405(6) 0.104(4) Uani 1 1 d . . .
H22A H 0.0367 0.2664 0.2643 0.156 Uiso 1 1 calc R . .
H22B H 0.0110 0.1005 0.2634 0.156 Uiso 1 1 calc R . .
H22C H 0.0089 0.1833 0.1926 0.156 Uiso 1 1 calc R . .
C23 C 0.1344(3) 0.0346(8) 0.3362(4) 0.0584(19) Uani 1 1 d . . .
H23A H 0.1705 -0.0142 0.3410 0.088 Uiso 1 1 calc R . .
H23B H 0.1101 -0.0344 0.3522 0.088 Uiso 1 1 calc R . .
H23C H 0.1401 0.1273 0.3638 0.088 Uiso 1 1 calc R . .
C24 C 0.2850(2) 0.4978(6) 0.3606(3) 0.0284(12) Uani 1 1 d . . .
C25 C 0.2415(3) 0.5399(6) 0.3913(3) 0.0350(13) Uani 1 1 d . . .
C26 C 0.2553(3) 0.6415(7) 0.4465(3) 0.0417(15) Uani 1 1 d . . .
H26 H 0.2270 0.6726 0.4663 0.050 Uiso 1 1 calc R . .
C27 C 0.3091(3) 0.6986(7) 0.4734(3) 0.0486(17) Uani 1 1 d . . .
H27 H 0.3173 0.7662 0.5113 0.058 Uiso 1 1 calc R . .
C28 C 0.3505(3) 0.6548(6) 0.4438(3) 0.0418(15) Uani 1 1 d . . .
H28 H 0.3871 0.6947 0.4619 0.050 Uiso 1 1 calc R . .
C29 C 0.3402(2) 0.5536(6) 0.3882(3) 0.0329(13) Uani 1 1 d . . .
C30 C 0.1827(2) 0.4774(7) 0.3617(3) 0.0376(14) Uani 1 1 d . . .
H30 H 0.1862 0.3772 0.3405 0.045 Uiso 1 1 calc R . .
C31 C 0.1483(3) 0.5798(8) 0.3045(4) 0.0564(18) Uani 1 1 d . . .
H31A H 0.1454 0.6807 0.3232 0.085 Uiso 1 1 calc R . .
H31B H 0.1108 0.5371 0.2858 0.085 Uiso 1 1 calc R . .
H31C H 0.1665 0.5872 0.2679 0.085 Uiso 1 1 calc R . .
C32 C 0.1518(3) 0.4507(10) 0.4160(4) 0.073(2) Uani 1 1 d . . .
H32A H 0.1482 0.5468 0.4384 0.109 Uiso 1 1 calc R . .
H32B H 0.1730 0.3790 0.4505 0.109 Uiso 1 1 calc R . .
H32C H 0.1147 0.4094 0.3939 0.109 Uiso 1 1 calc R . .
C33 C 0.3847(2) 0.5090(6) 0.3545(3) 0.0362(13) Uani 1 1 d . . .
H33 H 0.3803 0.3983 0.3443 0.043 Uiso 1 1 calc R . .
C34 C 0.3765(3) 0.5910(7) 0.2856(3) 0.0428(14) Uani 1 1 d . . .
H34A H 0.3386 0.5732 0.2561 0.064 Uiso 1 1 calc R . .
H34B H 0.4034 0.5523 0.2629 0.064 Uiso 1 1 calc R . .
H34C H 0.3824 0.6997 0.2938 0.064 Uiso 1 1 calc R . .
C35 C 0.4457(3) 0.5348(9) 0.3994(4) 0.0596(19) Uani 1 1 d . . .
H35A H 0.4539 0.6433 0.4026 0.089 Uiso 1 1 calc R . .
H35B H 0.4714 0.4833 0.3784 0.089 Uiso 1 1 calc R . .
H35C H 0.4503 0.4939 0.4455 0.089 Uiso 1 1 calc R . .
C36 C 0.2569(3) -0.1212(7) 0.2196(3) 0.0572(19) Uani 1 1 d . . .
H36A H 0.2947 -0.1375 0.2148 0.069 Uiso 1 1 calc R . .
H36B H 0.2350 -0.2143 0.2038 0.069 Uiso 1 1 calc R . .
C37 C 0.2616(3) -0.0995(6) 0.2922(3) 0.0448(15) Uani 1 1 d . . .
H37A H 0.2273 -0.1362 0.3019 0.054 Uiso 1 1 calc R . .
H37B H 0.2935 -0.1591 0.3204 0.054 Uiso 1 1 calc R . .
C38 C 0.2228(3) -0.0279(8) 0.1046(3) 0.0539(18) Uani 1 1 d . . .
H38A H 0.2583 -0.0537 0.0959 0.081 Uiso 1 1 calc R . .
H38B H 0.2076 0.0641 0.0792 0.081 Uiso 1 1 calc R . .
H38C H 0.1963 -0.1112 0.0894 0.081 Uiso 1 1 calc R . .
C39 C 0.2882(3) 0.0826(7) 0.3843(3) 0.0432(15) Uani 1 1 d . . .
H39A H 0.2609 0.0386 0.4050 0.065 Uiso 1 1 calc R . .
H39B H 0.2916 0.1912 0.3941 0.065 Uiso 1 1 calc R . .
H39C H 0.3245 0.0337 0.4037 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
O1 Yb1 N2 106.5(3) . . ?
O1 Yb1 N4 98.4(2) . . ?
N2 Yb1 N4 72.12(19) . . ?
O1 Yb1 O3 84.40(12) . . ?
N2 Yb1 O3 142.96(16) . . ?
N4 Yb1 O3 142.60(16) . . ?
O1 Yb1 O2 150.75(14) . . ?
N2 Yb1 O2 96.4(2) . . ?
N4 Yb1 O2 105.9(2) . . ?
O3 Yb1 O2 66.41(12) . . ?
O1 Yb1 N3 104.02(14) . . ?
N2 Yb1 N3 122.53(19) . . ?
N4 Yb1 N3 56.01(17) . . ?
O3 Yb1 N3 86.99(13) . . ?
O2 Yb1 N3 77.44(14) . . ?
O1 Yb1 N1 98.54(14) . . ?
N2 Yb1 N1 55.66(16) . . ?
N4 Yb1 N1 127.70(17) . . ?
O3 Yb1 N1 88.11(13) . . ?
O2 Yb1 N1 79.36(15) . . ?
N3 Yb1 N1 156.31(15) . . ?
O1 Yb1 C2 107.68(17) . . ?
N2 Yb1 C2 95.35(19) . . ?
N4 Yb1 C2 28.37(19) . . ?
O3 Yb1 C2 115.33(15) . . ?
O2 Yb1 C2 87.59(18) . . ?
N3 Yb1 C2 28.45(16) . . ?
N1 Yb1 C2 145.90(16) . . ?
O1 Yb1 C1 103.80(17) . . ?
N2 Yb1 C1 27.46(17) . . ?
N4 Yb1 C1 99.56(18) . . ?
O3 Yb1 C1 116.07(14) . . ?
O2 Yb1 C1 88.14(17) . . ?
N3 Yb1 C1 145.27(17) . . ?
N1 Yb1 C1 28.21(15) . . ?
C2 Yb1 C1 121.20(17) . . ?
N1 Si1 C19 108.2(2) . . ?
N1 Si1 C20 115.4(3) . . ?
C19 Si1 C20 105.8(3) . . ?
N1 Si1 C18 111.8(3) . . ?
C19 Si1 C18 108.7(3) . . ?
C20 Si1 C18 106.6(3) . . ?
N3 Si2 C23 108.0(3) . . ?
N3 Si2 C21 112.1(3) . . ?
C23 Si2 C21 108.5(3) . . ?
N3 Si2 C22 115.1(3) . . ?
C23 Si2 C22 105.2(4) . . ?
C21 Si2 C22 107.6(5) . . ?
C24 O1 Yb1 174.5(3) . . ?
C36 O2 C38 115.8(5) . . ?
C36 O2 Yb1 117.9(3) . . ?
C38 O2 Yb1 120.2(4) . . ?
C37 O3 C39 112.5(4) . . ?
C37 O3 Yb1 120.9(3) . . ?
C39 O3 Yb1 126.3(3) . . ?
C1 N1 Si1 125.8(4) . . ?
C1 N1 Yb1 89.4(3) . . ?
Si1 N1 Yb1 144.7(2) . . ?
C1 N2 C3 120.5(5) . . ?
C1 N2 Yb1 99.0(4) . . ?
C3 N2 Yb1 140.1(4) . . ?
C2 N3 Si2 125.5(4) . . ?
C2 N3 Yb1 88.7(3) . . ?
Si2 N3 Yb1 144.7(2) . . ?
C2 N4 C5 122.1(6) . . ?
C2 N4 Yb1 96.6(4) . . ?
C5 N4 Yb1 138.6(4) . . ?
N2 C1 N1 115.8(5) . . ?
N2 C1 C6 120.8(5) . . ?
N1 C1 C6 123.3(5) . . ?
N2 C1 Yb1 53.5(3) . . ?
N1 C1 Yb1 62.4(3) . . ?
C6 C1 Yb1 174.2(4) . . ?
N3 C2 N4 115.5(5) . . ?
N3 C2 C12 123.2(5) . . ?
N4 C2 C12 121.3(6) . . ?
N3 C2 Yb1 62.9(3) . . ?
N4 C2 Yb1 55.1(3) . . ?
C12 C2 Yb1 164.7(5) . . ?
C4 C3 N2 112.6(7) . . ?
C4 C3 H3A 109.1 . . ?
N2 C3 H3A 109.1 . . ?
C4 C3 H3B 109.1 . . ?
N2 C3 H3B 109.1 . . ?
H3A C3 H3B 107.8 . . ?
C5 C4 C3 120.5(9) . . ?
C5 C4 H4A 107.2 . . ?
C3 C4 H4A 107.2 . . ?
C5 C4 H4B 107.2 . . ?
C3 C4 H4B 107.2 . . ?
H4A C4 H4B 106.8 . . ?
C4 C5 N4 110.3(7) . . ?
C4 C5 H5A 109.6 . . ?
N4 C5 H5A 109.6 . . ?
C4 C5 H5B 109.6 . . ?
N4 C5 H5B 109.6 . . ?
H5A C5 H5B 108.1 . . ?
C11 C6 C7 118.9(5) . . ?
C11 C6 C1 120.5(6) . . ?
C7 C6 C1 120.6(6) . . ?
C8 C7 C6 121.0(6) . . ?
C8 C7 H7 119.5 . . ?
C6 C7 H7 119.5 . . ?
C7 C8 C9 119.7(6) . . ?
C7 C8 H8 120.1 . . ?
C9 C8 H8 120.1 . . ?
C10 C9 C8 120.0(6) . . ?
C10 C9 H9 120.0 . . ?
C8 C9 H9 120.0 . . ?
C9 C10 C11 120.4(6) . . ?
C9 C10 H10 119.8 . . ?
C11 C10 H10 119.8 . . ?
C6 C11 C10 119.8(6) . . ?
C6 C11 H11 120.1 . . ?
C10 C11 H11 120.1 . . ?
C13 C12 C17 118.7(7) . . ?
C13 C12 C2 120.8(7) . . ?
C17 C12 C2 120.5(7) . . ?
C12 C13 C14 122.2(10) . . ?
C12 C13 H13 118.9 . . ?
C14 C13 H13 118.9 . . ?
C15 C14 C13 117.9(11) . . ?
C15 C14 H14 121.1 . . ?
C13 C14 H14 121.1 . . ?
C16 C15 C14 122.0(10) . . ?
C16 C15 H15 119.0 . . ?
C14 C15 H15 119.0 . . ?
C15 C16 C17 117.4(10) . . ?
C15 C16 H16 121.3 . . ?
C17 C16 H16 121.3 . . ?
C16 C17 C12 121.7(10) . . ?
C16 C17 H17 119.2 . . ?
C12 C17 H17 119.2 . . ?
Si1 C18 H18A 109.5 . . ?
Si1 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
Si1 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si1 C19 H19A 109.5 . . ?
Si1 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Si1 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Si1 C20 H20A 109.5 . . ?
Si1 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
Si1 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
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 C29 120.4(5) . . ?
O1 C24 C25 119.2(5) . . ?
C29 C24 C25 120.4(5) . . ?
C26 C25 C24 117.8(5) . . ?
C26 C25 C30 122.4(5) . . ?
C24 C25 C30 119.8(5) . . ?
C27 C26 C25 122.3(6) . . ?
C27 C26 H26 118.9 . . ?
C25 C26 H26 118.9 . . ?
C26 C27 C28 119.0(5) . . ?
C26 C27 H27 120.5 . . ?
C28 C27 H27 120.5 . . ?
C27 C28 C29 122.2(6) . . ?
C27 C28 H28 118.9 . . ?
C29 C28 H28 118.9 . . ?
C28 C29 C24 118.2(5) . . ?
C28 C29 C33 122.5(5) . . ?
C24 C29 C33 119.2(5) . . ?
C25 C30 C31 110.7(5) . . ?
C25 C30 C32 113.6(5) . . ?
C31 C30 C32 110.3(6) . . ?
C25 C30 H30 107.3 . . ?
C31 C30 H30 107.3 . . ?
C32 C30 H30 107.3 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C29 C33 C34 111.4(5) . . ?
C29 C33 C35 115.0(5) . . ?
C34 C33 C35 108.5(5) . . ?
C29 C33 H33 107.2 . . ?
C34 C33 H33 107.2 . . ?
C35 C33 H33 107.2 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
O2 C36 C37 115.3(5) . . ?
O2 C36 H36A 108.4 . . ?
C37 C36 H36A 108.4 . . ?
O2 C36 H36B 108.4 . . ?
C37 C36 H36B 108.4 . . ?
H36A C36 H36B 107.5 . . ?
O3 C37 C36 110.6(5) . . ?
O3 C37 H37A 109.5 . . ?
C36 C37 H37A 109.5 . . ?
O3 C37 H37B 109.5 . . ?
C36 C37 H37B 109.5 . . ?
H37A C37 H37B 108.1 . . ?
O2 C38 H38A 109.5 . . ?
O2 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
O2 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
O3 C39 H39A 109.5 . . ?
O3 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
O3 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 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 2.075(3) . ?
Yb1 N2 2.283(5) . ?
Yb1 N4 2.296(5) . ?
Yb1 O3 2.396(3) . ?
Yb1 O2 2.421(4) . ?
Yb1 N3 2.477(4) . ?
Yb1 N1 2.485(4) . ?
Yb1 C2 2.782(6) . ?
Yb1 C1 2.805(5) . ?
Si1 N1 1.731(4) . ?
Si1 C19 1.853(6) . ?
Si1 C20 1.864(6) . ?
Si1 C18 1.868(6) . ?
Si2 N3 1.728(4) . ?
Si2 C23 1.865(7) . ?
Si2 C21 1.871(8) . ?
Si2 C22 1.873(7) . ?
O1 C24 1.333(6) . ?
O2 C36 1.378(7) . ?
O2 C38 1.418(7) . ?
O3 C37 1.435(6) . ?
O3 C39 1.437(6) . ?
N1 C1 1.326(7) . ?
N2 C1 1.309(7) . ?
N2 C3 1.459(8) . ?
N3 C2 1.326(7) . ?
N4 C2 1.331(8) . ?
N4 C5 1.468(9) . ?
C1 C6 1.507(7) . ?
C2 C12 1.501(8) . ?
C3 C4 1.448(10) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C4 C5 1.439(10) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C6 C11 1.383(8) . ?
C6 C7 1.385(9) . ?
C7 C8 1.374(8) . ?
C7 H7 0.9400 . ?
C8 C9 1.375(9) . ?
C8 H8 0.9400 . ?
C9 C10 1.372(9) . ?
C9 H9 0.9400 . ?
C10 C11 1.385(8) . ?
C10 H10 0.9400 . ?
C11 H11 0.9400 . ?
C12 C13 1.336(11) . ?
C12 C17 1.386(10) . ?
C13 C14 1.384(12) . ?
C13 H13 0.9400 . ?
C14 C15 1.377(14) . ?
C14 H14 0.9400 . ?
C15 C16 1.374(13) . ?
C15 H15 0.9400 . ?
C16 C17 1.383(11) . ?
C16 H16 0.9400 . ?
C17 H17 0.9400 . ?
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 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C20 H20C 0.9700 . ?
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 C29 1.406(7) . ?
C24 C25 1.433(7) . ?
C25 C26 1.386(8) . ?
C25 C30 1.510(8) . ?
C26 C27 1.379(9) . ?
C26 H26 0.9400 . ?
C27 C28 1.381(9) . ?
C27 H27 0.9400 . ?
C28 C29 1.392(7) . ?
C28 H28 0.9400 . ?
C29 C33 1.502(8) . ?
C30 C31 1.513(8) . ?
C30 C32 1.519(8) . ?
C30 H30 0.9900 . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C31 H31C 0.9700 . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C32 H32C 0.9700 . ?
C33 C34 1.521(8) . ?
C33 C35 1.538(8) . ?
C33 H33 0.9900 . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C34 H34C 0.9700 . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C35 H35C 0.9700 . ?
C36 C37 1.441(8) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C38 H38C 0.9700 . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
C39 H39C 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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N2 Yb1 O1 C24 130(3) . . . . ?
N4 Yb1 O1 C24 56(3) . . . . ?
O3 Yb1 O1 C24 -86(3) . . . . ?
O2 Yb1 O1 C24 -90(3) . . . . ?
N3 Yb1 O1 C24 -1(3) . . . . ?
N1 Yb1 O1 C24 -173(3) . . . . ?
C2 Yb1 O1 C24 29(3) . . . . ?
C1 Yb1 O1 C24 158(3) . . . . ?
O1 Yb1 O2 C36 -11.4(6) . . . . ?
N2 Yb1 O2 C36 130.4(5) . . . . ?
N4 Yb1 O2 C36 -156.4(5) . . . . ?
O3 Yb1 O2 C36 -15.5(4) . . . . ?
N3 Yb1 O2 C36 -107.7(5) . . . . ?
N1 Yb1 O2 C36 77.1(5) . . . . ?
C2 Yb1 O2 C36 -134.5(5) . . . . ?
C1 Yb1 O2 C36 104.1(5) . . . . ?
O1 Yb1 O2 C38 -162.7(4) . . . . ?
N2 Yb1 O2 C38 -21.0(5) . . . . ?
N4 Yb1 O2 C38 52.2(5) . . . . ?
O3 Yb1 O2 C38 -166.8(5) . . . . ?
N3 Yb1 O2 C38 101.0(5) . . . . ?
N1 Yb1 O2 C38 -74.2(4) . . . . ?
C2 Yb1 O2 C38 74.1(5) . . . . ?
C1 Yb1 O2 C38 -47.2(4) . . . . ?
O1 Yb1 O3 C37 179.0(4) . . . . ?
N2 Yb1 O3 C37 -70.9(6) . . . . ?
N4 Yb1 O3 C37 82.5(5) . . . . ?
O2 Yb1 O3 C37 -3.0(4) . . . . ?
N3 Yb1 O3 C37 74.6(4) . . . . ?
N1 Yb1 O3 C37 -82.2(4) . . . . ?
C2 Yb1 O3 C37 72.1(4) . . . . ?
C1 Yb1 O3 C37 -78.4(4) . . . . ?
O1 Yb1 O3 C39 5.2(4) . . . . ?
N2 Yb1 O3 C39 115.3(5) . . . . ?
N4 Yb1 O3 C39 -91.3(5) . . . . ?
O2 Yb1 O3 C39 -176.8(4) . . . . ?
N3 Yb1 O3 C39 -99.2(4) . . . . ?
N1 Yb1 O3 C39 104.0(4) . . . . ?
C2 Yb1 O3 C39 -101.7(4) . . . . ?
C1 Yb1 O3 C39 107.9(4) . . . . ?
C19 Si1 N1 C1 161.8(5) . . . . ?
C20 Si1 N1 C1 43.6(6) . . . . ?
C18 Si1 N1 C1 -78.5(6) . . . . ?
C19 Si1 N1 Yb1 -21.1(5) . . . . ?
C20 Si1 N1 Yb1 -139.3(4) . . . . ?
C18 Si1 N1 Yb1 98.6(5) . . . . ?
O1 Yb1 N1 C1 -103.3(4) . . . . ?
N2 Yb1 N1 C1 0.9(4) . . . . ?
N4 Yb1 N1 C1 4.3(5) . . . . ?
O3 Yb1 N1 C1 172.6(4) . . . . ?
O2 Yb1 N1 C1 106.3(4) . . . . ?
N3 Yb1 N1 C1 94.5(5) . . . . ?
C2 Yb1 N1 C1 37.0(5) . . . . ?
O1 Yb1 N1 Si1 79.0(4) . . . . ?
N2 Yb1 N1 Si1 -176.8(6) . . . . ?
N4 Yb1 N1 Si1 -173.3(4) . . . . ?
O3 Yb1 N1 Si1 -5.0(4) . . . . ?
O2 Yb1 N1 Si1 -71.4(4) . . . . ?
N3 Yb1 N1 Si1 -83.2(6) . . . . ?
C2 Yb1 N1 Si1 -140.7(4) . . . . ?
C1 Yb1 N1 Si1 -177.7(7) . . . . ?
O1 Yb1 N2 C1 88.3(6) . . . . ?
N4 Yb1 N2 C1 -178.0(7) . . . . ?
O3 Yb1 N2 C1 -14.6(8) . . . . ?
O2 Yb1 N2 C1 -73.3(6) . . . . ?
N3 Yb1 N2 C1 -152.5(5) . . . . ?
N1 Yb1 N2 C1 -0.9(5) . . . . ?
C2 Yb1 N2 C1 -161.5(6) . . . . ?
O1 Yb1 N2 C3 -84.7(12) . . . . ?
N4 Yb1 N2 C3 9.1(11) . . . . ?
O3 Yb1 N2 C3 172.4(10) . . . . ?
O2 Yb1 N2 C3 113.7(12) . . . . ?
N3 Yb1 N2 C3 34.6(13) . . . . ?
N1 Yb1 N2 C3 -173.8(13) . . . . ?
C2 Yb1 N2 C3 25.6(12) . . . . ?
C1 Yb1 N2 C3 -173.0(16) . . . . ?
C23 Si2 N3 C2 -155.9(5) . . . . ?
C21 Si2 N3 C2 84.6(6) . . . . ?
C22 Si2 N3 C2 -38.8(7) . . . . ?
C23 Si2 N3 Yb1 40.5(5) . . . . ?
C21 Si2 N3 Yb1 -79.0(5) . . . . ?
C22 Si2 N3 Yb1 157.6(5) . . . . ?
O1 Yb1 N3 C2 101.3(4) . . . . ?
N2 Yb1 N3 C2 -19.1(5) . . . . ?
N4 Yb1 N3 C2 10.5(4) . . . . ?
O3 Yb1 N3 C2 -175.2(4) . . . . ?
O2 Yb1 N3 C2 -108.7(4) . . . . ?
N1 Yb1 N3 C2 -96.9(5) . . . . ?
C1 Yb1 N3 C2 -41.1(5) . . . . ?
O1 Yb1 N3 Si2 -92.0(4) . . . . ?
N2 Yb1 N3 Si2 147.6(5) . . . . ?
N4 Yb1 N3 Si2 177.2(5) . . . . ?
O3 Yb1 N3 Si2 -8.5(4) . . . . ?
O2 Yb1 N3 Si2 58.0(4) . . . . ?
N1 Yb1 N3 Si2 69.8(6) . . . . ?
C2 Yb1 N3 Si2 166.7(7) . . . . ?
C1 Yb1 N3 Si2 125.6(4) . . . . ?
O1 Yb1 N4 C2 -111.8(5) . . . . ?
N2 Yb1 N4 C2 143.5(6) . . . . ?
O3 Yb1 N4 C2 -20.1(7) . . . . ?
O2 Yb1 N4 C2 51.7(5) . . . . ?
N3 Yb1 N4 C2 -10.6(4) . . . . ?
N1 Yb1 N4 C2 140.4(4) . . . . ?
C1 Yb1 N4 C2 142.5(5) . . . . ?
O1 Yb1 N4 C5 88.2(9) . . . . ?
N2 Yb1 N4 C5 -16.5(9) . . . . ?
O3 Yb1 N4 C5 180.0(7) . . . . ?
O2 Yb1 N4 C5 -108.2(9) . . . . ?
N3 Yb1 N4 C5 -170.5(10) . . . . ?
N1 Yb1 N4 C5 -19.5(10) . . . . ?
C2 Yb1 N4 C5 -160.0(12) . . . . ?
C1 Yb1 N4 C5 -17.4(9) . . . . ?
C3 N2 C1 N1 176.3(8) . . . . ?
Yb1 N2 C1 N1 1.5(8) . . . . ?
C3 N2 C1 C6 -3.7(13) . . . . ?
Yb1 N2 C1 C6 -178.5(5) . . . . ?
C3 N2 C1 Yb1 174.8(12) . . . . ?
Si1 N1 C1 N2 177.0(6) . . . . ?
Yb1 N1 C1 N2 -1.4(7) . . . . ?
Si1 N1 C1 C6 -3.1(9) . . . . ?
Yb1 N1 C1 C6 178.6(6) . . . . ?
Si1 N1 C1 Yb1 178.3(5) . . . . ?
O1 Yb1 C1 N2 -99.3(6) . . . . ?
N4 Yb1 C1 N2 1.9(6) . . . . ?
O3 Yb1 C1 N2 170.3(6) . . . . ?
O2 Yb1 C1 N2 107.8(6) . . . . ?
N3 Yb1 C1 N2 43.2(7) . . . . ?
N1 Yb1 C1 N2 178.5(8) . . . . ?
C2 Yb1 C1 N2 21.7(7) . . . . ?
O1 Yb1 C1 N1 82.3(4) . . . . ?
N2 Yb1 C1 N1 -178.5(8) . . . . ?
N4 Yb1 C1 N1 -176.5(4) . . . . ?
O3 Yb1 C1 N1 -8.2(4) . . . . ?
O2 Yb1 C1 N1 -70.7(4) . . . . ?
N3 Yb1 C1 N1 -135.3(3) . . . . ?
C2 Yb1 C1 N1 -156.8(3) . . . . ?
O1 Yb1 C1 C6 -86(5) . . . . ?
N2 Yb1 C1 C6 13(5) . . . . ?
N4 Yb1 C1 C6 15(5) . . . . ?
O3 Yb1 C1 C6 -177(5) . . . . ?
O2 Yb1 C1 C6 121(5) . . . . ?
N3 Yb1 C1 C6 56(5) . . . . ?
N1 Yb1 C1 C6 -168(5) . . . . ?
C2 Yb1 C1 C6 35(5) . . . . ?
Si2 N3 C2 N4 172.6(5) . . . . ?
Yb1 N3 C2 N4 -16.8(6) . . . . ?
Si2 N3 C2 C12 -6.9(9) . . . . ?
Yb1 N3 C2 C12 163.7(6) . . . . ?
Si2 N3 C2 Yb1 -170.6(5) . . . . ?
C5 N4 C2 N3 -177.2(7) . . . . ?
Yb1 N4 C2 N3 18.3(7) . . . . ?
C5 N4 C2 C12 2.3(12) . . . . ?
Yb1 N4 C2 C12 -162.2(6) . . . . ?
C5 N4 C2 Yb1 164.5(9) . . . . ?
O1 Yb1 C2 N3 -86.9(4) . . . . ?
N2 Yb1 C2 N3 163.9(4) . . . . ?
N4 Yb1 C2 N3 -161.4(7) . . . . ?
O3 Yb1 C2 N3 5.3(4) . . . . ?
O2 Yb1 C2 N3 67.7(4) . . . . ?
N1 Yb1 C2 N3 134.6(3) . . . . ?
C1 Yb1 C2 N3 154.1(3) . . . . ?
O1 Yb1 C2 N4 74.5(5) . . . . ?
N2 Yb1 C2 N4 -34.7(5) . . . . ?
O3 Yb1 C2 N4 166.7(4) . . . . ?
O2 Yb1 C2 N4 -130.9(5) . . . . ?
N3 Yb1 C2 N4 161.4(7) . . . . ?
N1 Yb1 C2 N4 -64.0(6) . . . . ?
C1 Yb1 C2 N4 -44.5(5) . . . . ?
O1 Yb1 C2 C12 155.9(18) . . . . ?
N2 Yb1 C2 C12 46.7(18) . . . . ?
N4 Yb1 C2 C12 81.4(18) . . . . ?
O3 Yb1 C2 C12 -111.9(18) . . . . ?
O2 Yb1 C2 C12 -49.5(18) . . . . ?
N3 Yb1 C2 C12 -117(2) . . . . ?
N1 Yb1 C2 C12 17(2) . . . . ?
C1 Yb1 C2 C12 36.9(19) . . . . ?
C1 N2 C3 C4 160.1(10) . . . . ?
Yb1 N2 C3 C4 -28.0(18) . . . . ?
N2 C3 C4 C5 53.9(16) . . . . ?
C3 C4 C5 N4 -59.1(14) . . . . ?
C2 N4 C5 C4 -114.8(10) . . . . ?
Yb1 N4 C5 C4 41.5(13) . . . . ?
N2 C1 C6 C11 -100.7(9) . . . . ?
N1 C1 C6 C11 79.3(8) . . . . ?
Yb1 C1 C6 C11 -113(5) . . . . ?
N2 C1 C6 C7 77.3(9) . . . . ?
N1 C1 C6 C7 -102.7(8) . . . . ?
Yb1 C1 C6 C7 65(5) . . . . ?
C11 C6 C7 C8 -3.3(9) . . . . ?
C1 C6 C7 C8 178.7(6) . . . . ?
C6 C7 C8 C9 1.9(10) . . . . ?
C7 C8 C9 C10 0.3(10) . . . . ?
C8 C9 C10 C11 -1.2(10) . . . . ?
C7 C6 C11 C10 2.4(8) . . . . ?
C1 C6 C11 C10 -179.6(5) . . . . ?
C9 C10 C11 C6 -0.2(9) . . . . ?
N3 C2 C12 C13 -76.2(9) . . . . ?
N4 C2 C12 C13 104.4(9) . . . . ?
Yb1 C2 C12 C13 33(2) . . . . ?
N3 C2 C12 C17 104.8(8) . . . . ?
N4 C2 C12 C17 -74.6(9) . . . . ?
Yb1 C2 C12 C17 -146.2(16) . . . . ?
C17 C12 C13 C14 -2.7(13) . . . . ?
C2 C12 C13 C14 178.3(9) . . . . ?
C12 C13 C14 C15 -0.7(17) . . . . ?
C13 C14 C15 C16 3.4(19) . . . . ?
C14 C15 C16 C17 -2.5(18) . . . . ?
C15 C16 C17 C12 -1.1(13) . . . . ?
C13 C12 C17 C16 3.7(11) . . . . ?
C2 C12 C17 C16 -177.3(7) . . . . ?
Yb1 O1 C24 C29 177(3) . . . . ?
Yb1 O1 C24 C25 -2(4) . . . . ?
O1 C24 C25 C26 -178.6(5) . . . . ?
C29 C24 C25 C26 2.7(7) . . . . ?
O1 C24 C25 C30 -0.4(7) . . . . ?
C29 C24 C25 C30 -179.1(5) . . . . ?
C24 C25 C26 C27 -1.8(8) . . . . ?
C30 C25 C26 C27 -180.0(5) . . . . ?
C25 C26 C27 C28 0.9(9) . . . . ?
C26 C27 C28 C29 -0.7(9) . . . . ?
C27 C28 C29 C24 1.6(8) . . . . ?
C27 C28 C29 C33 178.2(5) . . . . ?
O1 C24 C29 C28 178.7(5) . . . . ?
C25 C24 C29 C28 -2.5(8) . . . . ?
O1 C24 C29 C33 2.0(7) . . . . ?
C25 C24 C29 C33 -179.3(5) . . . . ?
C26 C25 C30 C31 89.6(6) . . . . ?
C24 C25 C30 C31 -88.5(6) . . . . ?
C26 C25 C30 C32 -35.2(8) . . . . ?
C24 C25 C30 C32 146.7(6) . . . . ?
C28 C29 C33 C34 -103.3(6) . . . . ?
C24 C29 C33 C34 73.3(6) . . . . ?
C28 C29 C33 C35 20.6(8) . . . . ?
C24 C29 C33 C35 -162.8(5) . . . . ?
C38 O2 C36 C37 -175.0(6) . . . . ?
Yb1 O2 C36 C37 32.3(8) . . . . ?
C39 O3 C37 C36 -166.0(5) . . . . ?
Yb1 O3 C37 C36 19.4(7) . . . . ?
O2 C36 C37 O3 -32.7(8) . . . . ?
