#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:25:42 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179843 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/39/7013998.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_7013998
loop_
_publ_author_name
'Deng, Mingyu'
'Yao, Yingming'
'Shen, Qi'
'Zhang, Yong'
'Sun, Jin'
_publ_section_title
;
 Novel lanthanide(II) complexes supported by carbon-bridged biphenolate
 ligands: synthesis, structure and catalytic activity.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              944
_journal_page_last               950
_journal_paper_doi               10.1039/b317027f
_journal_year                    2004
_chemical_formula_moiety         'C66 H112 N6 O8 P2 Yb2, 6(C4 H8 O), C7 H8 '
_chemical_formula_sum            'C97 H168 N6 O14 P2 Yb2'
_chemical_formula_weight         2050.39
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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                108.792(4)
_cell_angle_beta                 109.163(4)
_cell_angle_gamma                99.71
_cell_formula_units_Z            1
_cell_length_a                   12.4386(15)
_cell_length_b                   15.4095(18)
_cell_length_c                   16.036(2)
_cell_measurement_reflns_used    6319
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     2616.0(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      193(2)
_diffrn_detector_area_resol_mean 14.62
_diffrn_measured_fraction_theta_full 0.960
_diffrn_measured_fraction_theta_max 0.960
_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  0.0276
_diffrn_reflns_av_sigmaI/netI    0.0284
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            27853
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.08
_exptl_absorpt_coefficient_mu    1.866
_exptl_absorpt_correction_T_max  0.5374
_exptl_absorpt_correction_T_min  0.4555
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            Orange-red
_exptl_crystal_density_diffrn    1.302
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Chunk
_exptl_crystal_F_000             1074
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.38
_refine_diff_density_max         1.214
_refine_diff_density_min         -0.887
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.145
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     555
_refine_ls_number_reflns         11512
_refine_ls_number_restraints     37
_refine_ls_restrained_S_all      1.182
_refine_ls_R_factor_all          0.0359
_refine_ls_R_factor_gt           0.0332
_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)+(0.0345P)²+2.8985P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0785
_refine_ls_wR_factor_ref         0.0798
_reflns_number_gt                11090
_reflns_number_total             11512
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b317027f.txt
_cod_data_source_block           shelxl
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        2615.9(6)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7013998
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 0.957478(11) 0.602676(8) 0.978821(8) 0.02534(5) Uani 1 1 d . . .
P1 P 0.70745(9) 0.56113(7) 0.74374(6) 0.0446(2) Uani 1 1 d . . .
O1 O 0.95976(19) 0.71288(15) 1.10783(14) 0.0310(5) Uani 1 1 d . . .
O2 O 1.12338(17) 0.54845(14) 1.02814(15) 0.0277(4) Uani 1 1 d . . .
O3 O 0.8078(2) 0.5716(2) 0.83200(18) 0.0502(7) Uani 1 1 d . . .
O4 O 1.0543(2) 0.74192(18) 0.95367(19) 0.0451(6) Uani 1 1 d D . .
N1 N 0.6465(4) 0.6459(3) 0.7708(3) 0.0652(11) Uani 1 1 d . . .
N2 N 0.5961(4) 0.4620(3) 0.6925(3) 0.0646(10) Uani 1 1 d . . .
N3 N 0.7598(4) 0.5679(3) 0.6635(3) 0.0620(10) Uani 1 1 d . . .
C1 C 1.0108(3) 0.7678(2) 1.2018(2) 0.0268(6) Uani 1 1 d . . .
C2 C 0.9739(3) 0.8481(2) 1.2438(2) 0.0306(6) Uani 1 1 d . . .
C3 C 1.0330(3) 0.9019(2) 1.3438(2) 0.0379(7) Uani 1 1 d . . .
H3 H 1.0094 0.9556 1.3719 0.045 Uiso 1 1 calc R . .
C4 C 1.1240(3) 0.8810(3) 1.4041(2) 0.0417(8) Uani 1 1 d . . .
C5 C 1.1591(3) 0.8030(3) 1.3622(2) 0.0373(7) Uani 1 1 d . . .
H5 H 1.2212 0.7875 1.4022 0.045 Uiso 1 1 calc R . .
C6 C 1.1052(3) 0.7468(2) 1.2627(2) 0.0285(6) Uani 1 1 d . . .
C7 C 1.2225(2) 0.6250(2) 1.0846(2) 0.0256(6) Uani 1 1 d . . .
C8 C 1.3126(3) 0.6463(2) 1.0519(2) 0.0312(6) Uani 1 1 d . . .
C9 C 1.4125(3) 0.7277(2) 1.1138(3) 0.0380(7) Uani 1 1 d . . .
H9 H 1.4731 0.7425 1.0923 0.046 Uiso 1 1 calc R . .
C10 C 1.4270(3) 0.7877(2) 1.2051(3) 0.0412(8) Uani 1 1 d . . .
C11 C 1.3381(3) 0.7663(2) 1.2353(2) 0.0352(7) Uani 1 1 d . . .
H11 H 1.3463 0.8072 1.2972 0.042 Uiso 1 1 calc R . .
C12 C 1.2358(3) 0.6858(2) 1.1773(2) 0.0282(6) Uani 1 1 d . . .
C13 C 1.1464(3) 0.6629(2) 1.2192(2) 0.0299(6) Uani 1 1 d . . .
H13A H 1.0755 0.6094 1.1673 0.036 Uiso 1 1 calc R . .
H13B H 1.1833 0.6402 1.2696 0.036 Uiso 1 1 calc R . .
C14 C 0.8725(3) 0.8736(2) 1.1802(2) 0.0345(7) Uani 1 1 d . . .
C15 C 0.9063(3) 0.8963(3) 1.1044(3) 0.0419(8) Uani 1 1 d . . .
H15A H 0.9789 0.9516 1.1367 0.063 Uiso 1 1 calc R . .
H15B H 0.8408 0.9114 1.0635 0.063 Uiso 1 1 calc R . .
H15C H 0.9208 0.8403 1.0644 0.063 Uiso 1 1 calc R . .
C16 C 0.8472(4) 0.9626(3) 1.2390(3) 0.0482(9) Uani 1 1 d . . .
H16A H 0.9196 1.0181 1.2715 0.072 Uiso 1 1 calc R . .
H16B H 0.8232 0.9498 1.2874 0.072 Uiso 1 1 calc R . .
H16C H 0.7827 0.9764 1.1955 0.072 Uiso 1 1 calc R . .
C17 C 0.7562(3) 0.7888(3) 1.1302(3) 0.0421(8) Uani 1 1 d . . .
H17A H 0.6927 0.8045 1.0880 0.063 Uiso 1 1 calc R . .
H17B H 0.7326 0.7769 1.1791 0.063 Uiso 1 1 calc R . .
H17C H 0.7691 0.7310 1.0916 0.063 Uiso 1 1 calc R . .
C18 C 1.1839(5) 0.9422(4) 1.5119(3) 0.0660(13) Uani 1 1 d . . .
H18A H 1.1398 0.9169 1.5440 0.099 Uiso 1 1 calc R . .
H18B H 1.1843 1.0088 1.5240 0.099 Uiso 1 1 calc R . .
H18C H 1.2664 0.9405 1.5375 0.099 Uiso 1 1 calc R . .
C19 C 1.3041(3) 0.5797(2) 0.9523(3) 0.0370(7) Uani 1 1 d . . .
C20 C 1.1862(4) 0.5633(3) 0.8700(3) 0.0543(10) Uani 1 1 d . . .
H20A H 1.1750 0.6256 0.8734 0.082 Uiso 1 1 calc R . .
H20B H 1.1197 0.5254 0.8760 0.082 Uiso 1 1 calc R . .
H20C H 1.1885 0.5284 0.8079 0.082 Uiso 1 1 calc R . .
C21 C 1.3152(4) 0.4826(3) 0.9553(3) 0.0512(10) Uani 1 1 d . . .
H21A H 1.2479 0.4514 0.9654 0.077 Uiso 1 1 calc R . .
H21B H 1.3905 0.4937 1.0085 0.077 Uiso 1 1 calc R . .
H21C H 1.3142 0.4410 0.8941 0.077 Uiso 1 1 calc R . .
C22 C 1.4061(4) 0.6219(3) 0.9290(3) 0.0557(11) Uani 1 1 d . . .
H22A H 1.3960 0.5792 0.8648 0.083 Uiso 1 1 calc R . .
H22B H 1.4829 0.6279 0.9773 0.083 Uiso 1 1 calc R . .
H22C H 1.4044 0.6856 0.9301 0.083 Uiso 1 1 calc R . .
C23 C 1.5395(4) 0.8736(3) 1.2703(4) 0.0634(13) Uani 1 1 d . . .
H23A H 1.5440 0.8981 1.3362 0.095 Uiso 1 1 calc R . .
H23B H 1.5366 0.9245 1.2462 0.095 Uiso 1 1 calc R . .
H23C H 1.6101 0.8535 1.2702 0.095 Uiso 1 1 calc R . .
C24 C 0.5241(5) 0.6404(5) 0.7126(5) 0.0903(19) Uani 1 1 d . . .
H24A H 0.4823 0.6584 0.7547 0.135 Uiso 1 1 calc R . .
H24B H 0.4810 0.5745 0.6637 0.135 Uiso 1 1 calc R . .
H24C H 0.5275 0.6848 0.6807 0.135 Uiso 1 1 calc R . .
C25 C 0.7115(6) 0.7366(4) 0.8541(4) 0.092(2) Uani 1 1 d . . .
H25A H 0.7270 0.7883 0.8324 0.138 Uiso 1 1 calc R . .
H25B H 0.7877 0.7326 0.8942 0.138 Uiso 1 1 calc R . .
H25C H 0.6639 0.7505 0.8920 0.138 Uiso 1 1 calc R . .
C26 C 0.5775(5) 0.3789(4) 0.6064(4) 0.0780(17) Uani 1 1 d . . .
H26A H 0.6086 0.3309 0.6259 0.117 Uiso 1 1 calc R . .
H26B H 0.6197 0.3999 0.5709 0.117 Uiso 1 1 calc R . .
H26C H 0.4919 0.3504 0.5648 0.117 Uiso 1 1 calc R . .
C27 C 0.5336(5) 0.4397(5) 0.7499(5) 0.0812(16) Uani 1 1 d . . .
H27A H 0.4471 0.4214 0.7129 0.122 Uiso 1 1 calc R . .
H27B H 0.5583 0.4965 0.8100 0.122 Uiso 1 1 calc R . .
H27C H 0.5537 0.3863 0.7652 0.122 Uiso 1 1 calc R . .
C28 C 0.6920(6) 0.5871(5) 0.5804(4) 0.097(2) Uani 1 1 d . . .
H28A H 0.7475 0.6284 0.5672 0.146 Uiso 1 1 calc R . .
H28B H 0.6351 0.6194 0.5952 0.146 Uiso 1 1 calc R . .
H28C H 0.6485 0.5260 0.5235 0.146 Uiso 1 1 calc R . .
C29 C 0.8573(5) 0.5288(4) 0.6548(4) 0.0757(15) Uani 1 1 d . . .
H29A H 0.8239 0.4649 0.6014 0.114 Uiso 1 1 calc R . .
H29B H 0.9016 0.5236 0.7151 0.114 Uiso 1 1 calc R . .
H29C H 0.9114 0.5718 0.6421 0.114 Uiso 1 1 calc R . .
C30 C 1.0341(5) 0.7588(3) 0.8673(4) 0.0671(13) Uani 1 1 d D . .
H30A H 0.9479 0.7328 0.8239 0.080 Uiso 1 1 calc R . .
H30B H 1.0788 0.7270 0.8325 0.080 Uiso 1 1 calc R . .
C31 C 1.0768(11) 0.8644(4) 0.8984(5) 0.181(6) Uani 1 1 d D . .
H31A H 1.0080 0.8892 0.8807 0.217 Uiso 1 1 calc R . .
H31B H 1.1281 0.8805 0.8662 0.217 Uiso 1 1 calc R . .
C32 C 1.1461(5) 0.9085(3) 1.0050(4) 0.0712(14) Uani 1 1 d D . .
H32A H 1.1070 0.9509 1.0370 0.085 Uiso 1 1 calc R . .
H32B H 1.2284 0.9470 1.0224 0.085 Uiso 1 1 calc R . .
C33 C 1.1479(4) 0.8253(3) 1.0350(3) 0.0504(9) Uani 1 1 d . . .
H33A H 1.2267 0.8141 1.0490 0.060 Uiso 1 1 calc R . .
H33B H 1.1315 0.8384 1.0936 0.060 Uiso 1 1 calc R . .
C48 C 0.4707(14) 0.0829(8) 0.0256(14) 0.226(7) Uani 1 1 d D . .
H48 H 0.4487 0.1402 0.0409 0.271 Uiso 1 1 calc R . .
C46 C 0.4987(14) -0.0528(14) 0.0522(13) 0.251(10) Uani 1 1 d D . .
H46 H 0.4963 -0.0919 0.0872 0.301 Uiso 1 1 calc R . .
C47 C 0.4719(13) 0.0316(15) 0.0803(8) 0.238(8) Uani 1 1 d D . .
H47 H 0.4548 0.0532 0.1357 0.285 Uiso 1 1 calc R . .
C36 C 0.8356(7) 0.6816(5) 0.3449(5) 0.108(2) Uani 1 1 d D . .
H36A H 0.7587 0.6348 0.2937 0.130 Uiso 1 1 calc R . .
H36B H 0.8837 0.7062 0.3142 0.130 Uiso 1 1 calc R . .
O5 O 0.9068(10) 0.6806(8) 0.4981(6) 0.206(4) Uani 1 1 d D . .
C35 C 0.8142(8) 0.7632(6) 0.4130(7) 0.133(3) Uani 1 1 d D . .
H35A H 0.7284 0.7487 0.4008 0.159 Uiso 1 1 calc R . .
H35B H 0.8400 0.8238 0.4058 0.159 Uiso 1 1 calc R . .
C37 C 0.9012(14) 0.6358(8) 0.4047(7) 0.197(6) Uani 1 1 d D . .
H37A H 0.8588 0.5660 0.3772 0.237 Uiso 1 1 calc R . .
H37B H 0.9828 0.6443 0.4067 0.237 Uiso 1 1 calc R . .
C34 C 0.8885(13) 0.7714(8) 0.5126(7) 0.192(6) Uani 1 1 d D . .
H34A H 0.9658 0.8229 0.5422 0.231 Uiso 1 1 calc R . .
H34B H 0.8457 0.7860 0.5551 0.231 Uiso 1 1 calc R . .
O7 O 0.7321(9) 0.3531(6) 0.4127(5) 0.192(4) Uani 1 1 d D . .
C45 C 0.7168(11) 0.2603(8) 0.4055(7) 0.151(4) Uani 1 1 d D . .
H45A H 0.6430 0.2372 0.4133 0.181 Uiso 1 1 calc R . .
H45B H 0.7851 0.2587 0.4579 0.181 Uiso 1 1 calc R . .
C40 C 0.3029(10) 0.0135(7) 0.2942(7) 0.167(5) Uani 1 1 d D . .
H40A H 0.3440 0.0001 0.2502 0.200 Uiso 1 1 calc R . .
H40B H 0.2344 -0.0440 0.2718 0.200 Uiso 1 1 calc R . .
C41 C 0.3895(11) 0.0394(7) 0.3983(7) 0.167(5) Uani 1 1 d D . .
H41A H 0.3536 0.0000 0.4260 0.200 Uiso 1 1 calc R . .
H41B H 0.4648 0.0259 0.3992 0.200 Uiso 1 1 calc R . .
C42 C 0.8090(12) 0.3640(11) 0.3651(13) 0.251(11) Uani 1 1 d D . .
H42A H 0.8937 0.3886 0.4119 0.302 Uiso 1 1 calc R . .
H42B H 0.7931 0.4101 0.3351 0.302 Uiso 1 1 calc R . .
C44 C 0.7084(15) 0.1959(8) 0.3110(7) 0.227(8) Uani 1 1 d D . .
H44A H 0.6248 0.1683 0.2619 0.272 Uiso 1 1 calc R . .
H44B H 0.7423 0.1432 0.3159 0.272 Uiso 1 1 calc R . .
C38 C 0.3578(15) 0.1713(7) 0.3840(10) 0.201(6) Uani 1 1 d D . .
H38A H 0.4191 0.2018 0.3668 0.241 Uiso 1 1 calc R . .
H38B H 0.3261 0.2218 0.4141 0.241 Uiso 1 1 calc R . .
C43 C 0.7839(17) 0.2658(13) 0.2886(11) 0.272(12) Uani 1 1 d D . .
H43A H 0.8593 0.2512 0.2920 0.327 Uiso 1 1 calc R . .
H43B H 0.7398 0.2627 0.2233 0.327 Uiso 1 1 calc R . .
C39 C 0.2619(13) 0.0991(9) 0.2969(11) 0.235(8) Uani 1 1 d D . .
H39A H 0.2564 0.1131 0.2398 0.282 Uiso 1 1 calc R . .
H39B H 0.1840 0.0916 0.3020 0.282 Uiso 1 1 calc R . .
O6 O 0.413(2) 0.1361(9) 0.4525(10) 0.494(18) Uani 1 1 d D . .
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'
P P 0.1023 0.0942 '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 O3 117.00(9) . . ?
O1 Yb1 O2 108.41(8) . 2_767 ?
O3 Yb1 O2 92.05(9) . 2_767 ?
O1 Yb1 O2 107.98(7) . . ?
O3 Yb1 O2 134.95(9) . . ?
O2 Yb1 O2 75.69(8) 2_767 . ?
O1 Yb1 O4 85.15(9) . . ?
O3 Yb1 O4 83.01(10) . . ?
O2 Yb1 O4 166.33(8) 2_767 . ?
O2 Yb1 O4 98.81(8) . . ?
O1 Yb1 C7 91.44(8) . . ?
O3 Yb1 C7 145.05(10) . . ?
O2 Yb1 C7 97.95(7) 2_767 . ?
O2 Yb1 C7 24.50(7) . . ?
O4 Yb1 C7 79.46(8) . . ?
O1 Yb1 Yb1 113.29(6) . 2_767 ?
O3 Yb1 Yb1 118.16(7) . 2_767 ?
O2 Yb1 Yb1 38.06(5) 2_767 2_767 ?
O2 Yb1 Yb1 37.64(5) . 2_767 ?
O4 Yb1 Yb1 135.22(6) . 2_767 ?
C7 Yb1 Yb1 60.54(5) . 2_767 ?
O3 P1 N1 109.76(18) . . ?
O3 P1 N2 115.9(2) . . ?
N1 P1 N2 103.9(2) . . ?
O3 P1 N3 108.76(19) . . ?
N1 P1 N3 110.4(2) . . ?
N2 P1 N3 108.0(2) . . ?
C1 O1 Yb1 150.98(19) . . ?
C7 O2 Yb1 138.16(18) . 2_767 ?
C7 O2 Yb1 109.27(16) . . ?
Yb1 O2 Yb1 104.31(8) 2_767 . ?
P1 O3 Yb1 173.28(19) . . ?
C30 O4 C33 108.4(3) . . ?
C30 O4 Yb1 131.0(3) . . ?
C33 O4 Yb1 120.6(2) . . ?
C25 N1 C24 113.6(5) . . ?
C25 N1 P1 122.1(4) . . ?
C24 N1 P1 124.3(4) . . ?
C26 N2 C27 114.3(5) . . ?
C26 N2 P1 124.2(4) . . ?
C27 N2 P1 118.3(4) . . ?
C29 N3 C28 115.0(4) . . ?
C29 N3 P1 121.1(3) . . ?
C28 N3 P1 121.8(4) . . ?
O1 C1 C6 119.2(3) . . ?
O1 C1 C2 122.0(3) . . ?
C6 C1 C2 118.9(3) . . ?
C3 C2 C1 117.9(3) . . ?
C3 C2 C14 121.6(3) . . ?
C1 C2 C14 120.4(3) . . ?
C4 C3 C2 123.6(3) . . ?
C4 C3 H3 118.2 . . ?
C2 C3 H3 118.2 . . ?
C3 C4 C5 117.8(3) . . ?
C3 C4 C18 120.8(3) . . ?
C5 C4 C18 121.4(4) . . ?
C4 C5 C6 121.7(3) . . ?
C4 C5 H5 119.1 . . ?
C6 C5 H5 119.1 . . ?
C5 C6 C1 120.0(3) . . ?
C5 C6 C13 120.5(3) . . ?
C1 C6 C13 119.5(3) . . ?
O2 C7 C12 119.5(3) . . ?
O2 C7 C8 121.0(3) . . ?
C12 C7 C8 119.6(3) . . ?
O2 C7 Yb1 46.23(12) . . ?
C12 C7 Yb1 96.37(17) . . ?
C8 C7 Yb1 124.9(2) . . ?
C9 C8 C7 118.0(3) . . ?
C9 C8 C19 120.6(3) . . ?
C7 C8 C19 121.4(3) . . ?
C10 C9 C8 123.1(3) . . ?
C10 C9 H9 118.5 . . ?
C8 C9 H9 118.5 . . ?
C11 C10 C9 118.1(3) . . ?
C11 C10 C23 121.3(3) . . ?
C9 C10 C23 120.5(3) . . ?
C10 C11 C12 121.9(3) . . ?
C10 C11 H11 119.0 . . ?
C12 C11 H11 119.0 . . ?
C11 C12 C7 119.4(3) . . ?
C11 C12 C13 118.6(3) . . ?
C7 C12 C13 121.9(3) . . ?
C6 C13 C12 114.6(3) . . ?
C6 C13 H13A 108.6 . . ?
C12 C13 H13A 108.6 . . ?
C6 C13 H13B 108.6 . . ?
C12 C13 H13B 108.6 . . ?
H13A C13 H13B 107.6 . . ?
C15 C14 C2 109.9(3) . . ?
C15 C14 C17 109.9(3) . . ?
C2 C14 C17 109.8(3) . . ?
C15 C14 C16 107.3(3) . . ?
C2 C14 C16 112.4(3) . . ?
C17 C14 C16 107.4(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 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C4 C18 H18A 109.5 . . ?
C4 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C4 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 C22 107.3(3) . . ?
C20 C19 C21 109.9(3) . . ?
C22 C19 C21 107.3(3) . . ?
C20 C19 C8 111.8(3) . . ?
C22 C19 C8 111.9(3) . . ?
C21 C19 C8 108.6(3) . . ?
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 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C10 C23 H23A 109.5 . . ?
C10 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C10 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N1 C24 H24A 109.5 . . ?
N1 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
N1 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N1 C25 H25A 109.5 . . ?
N1 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
N1 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
N2 C26 H26A 109.5 . . ?
N2 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
N2 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
N2 C27 H27A 109.5 . . ?
N2 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
N2 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
N3 C28 H28A 109.5 . . ?
N3 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
N3 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
N3 C29 H29A 109.5 . . ?
N3 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
N3 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
O4 C30 C31 106.7(4) . . ?
O4 C30 H30A 110.4 . . ?
C31 C30 H30A 110.4 . . ?
O4 C30 H30B 110.4 . . ?
C31 C30 H30B 110.4 . . ?
H30A C30 H30B 108.6 . . ?
C30 C31 C32 107.8(4) . . ?
C30 C31 H31A 110.1 . . ?
C32 C31 H31A 110.1 . . ?
C30 C31 H31B 110.1 . . ?
C32 C31 H31B 110.1 . . ?
H31A C31 H31B 108.5 . . ?
C31 C32 C33 105.7(4) . . ?
C31 C32 H32A 110.6 . . ?
C33 C32 H32A 110.6 . . ?
C31 C32 H32B 110.6 . . ?
C33 C32 H32B 110.6 . . ?
H32A C32 H32B 108.7 . . ?
O4 C33 C32 105.8(3) . . ?
O4 C33 H33A 110.6 . . ?
C32 C33 H33A 110.6 . . ?
O4 C33 H33B 110.6 . . ?
C32 C33 H33B 110.6 . . ?
H33A C33 H33B 108.7 . . ?
C47 C48 C46 120.8(7) . 2_655 ?
C47 C48 H48 119.6 . . ?
C46 C48 H48 119.6 2_655 . ?
C47 C46 C48 122.0(8) . 2_655 ?
C47 C46 H46 119.0 . . ?
C48 C46 H46 119.0 2_655 . ?
C48 C47 C46 117.1(8) . . ?
C48 C47 H47 121.4 . . ?
C46 C47 H47 121.4 . . ?
C37 C36 C35 105.9(7) . . ?
C37 C36 H36A 110.6 . . ?
C35 C36 H36A 110.6 . . ?
C37 C36 H36B 110.6 . . ?
C35 C36 H36B 110.6 . . ?
H36A C36 H36B 108.7 . . ?
C37 O5 C34 110.3(7) . . ?
C36 C35 C34 104.8(7) . . ?
C36 C35 H35A 110.8 . . ?
C34 C35 H35A 110.8 . . ?
C36 C35 H35B 110.8 . . ?
C34 C35 H35B 110.8 . . ?
H35A C35 H35B 108.9 . . ?
O5 C37 C36 107.4(7) . . ?
O5 C37 H37A 110.2 . . ?
C36 C37 H37A 110.2 . . ?
O5 C37 H37B 110.2 . . ?
C36 C37 H37B 110.2 . . ?
H37A C37 H37B 108.5 . . ?
O5 C34 C35 105.1(7) . . ?
O5 C34 H34A 110.7 . . ?
C35 C34 H34A 110.7 . . ?
O5 C34 H34B 110.7 . . ?
C35 C34 H34B 110.7 . . ?
H34A C34 H34B 108.8 . . ?
C45 O7 C42 103.4(8) . . ?
O7 C45 C44 110.9(7) . . ?
O7 C45 H45A 109.5 . . ?
C44 C45 H45A 109.5 . . ?
O7 C45 H45B 109.5 . . ?
C44 C45 H45B 109.5 . . ?
H45A C45 H45B 108.1 . . ?
C39 C40 C41 105.4(8) . . ?
C39 C40 H40A 110.7 . . ?
C41 C40 H40A 110.7 . . ?
C39 C40 H40B 110.7 . . ?
C41 C40 H40B 110.7 . . ?
H40A C40 H40B 108.8 . . ?
O6 C41 C40 109.0(9) . . ?
O6 C41 H41A 109.9 . . ?
C40 C41 H41A 109.9 . . ?
O6 C41 H41B 109.9 . . ?
C40 C41 H41B 109.9 . . ?
H41A C41 H41B 108.3 . . ?
O7 C42 C43 107.2(8) . . ?
O7 C42 H42A 110.3 . . ?
C43 C42 H42A 110.3 . . ?
O7 C42 H42B 110.3 . . ?
C43 C42 H42B 110.3 . . ?
H42A C42 H42B 108.5 . . ?
C45 C44 C43 100.8(8) . . ?
C45 C44 H44A 111.6 . . ?
C43 C44 H44A 111.6 . . ?
C45 C44 H44B 111.6 . . ?
C43 C44 H44B 111.6 . . ?
H44A C44 H44B 109.4 . . ?
O6 C38 C39 114.4(9) . . ?
O6 C38 H38A 108.7 . . ?
C39 C38 H38A 108.7 . . ?
O6 C38 H38B 108.7 . . ?
C39 C38 H38B 108.7 . . ?
H38A C38 H38B 107.6 . . ?
C42 C43 C44 105.0(8) . . ?
C42 C43 H43A 110.7 . . ?
C44 C43 H43A 110.7 . . ?
C42 C43 H43B 110.7 . . ?
C44 C43 H43B 110.7 . . ?
H43A C43 H43B 108.8 . . ?
C38 C39 C40 99.6(9) . . ?
C38 C39 H39A 111.8 . . ?
C40 C39 H39A 111.8 . . ?
C38 C39 H39B 111.8 . . ?
C40 C39 H39B 111.8 . . ?
H39A C39 H39B 109.6 . . ?
C41 O6 C38 104.0(9) . . ?
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 2.201(2) . ?
Yb1 O3 2.309(2) . ?
Yb1 O2 2.327(2) 2_767 ?
Yb1 O2 2.349(2) . ?
Yb1 O4 2.494(2) . ?
Yb1 C7 3.071(3) . ?
Yb1 Yb1 3.6927(4) 2_767 ?
P1 O3 1.488(2) . ?
P1 N1 1.629(4) . ?
P1 N2 1.629(4) . ?
P1 N3 1.644(4) . ?
O1 C1 1.326(3) . ?
O2 C7 1.349(3) . ?
O2 Yb1 2.327(2) 2_767 ?
O4 C30 1.439(5) . ?
O4 C33 1.458(5) . ?
N1 C25 1.449(6) . ?
N1 C24 1.473(6) . ?
N2 C26 1.467(6) . ?
N2 C27 1.469(7) . ?
N3 C29 1.469(7) . ?
N3 C28 1.474(6) . ?
C1 C6 1.420(4) . ?
C1 C2 1.433(4) . ?
C2 C3 1.400(4) . ?
C2 C14 1.538(4) . ?
C3 C4 1.388(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.391(5) . ?
C4 C18 1.517(5) . ?
C5 C6 1.399(4) . ?
C5 H5 0.9500 . ?
C6 C13 1.517(4) . ?
C7 C12 1.415(4) . ?
C7 C8 1.419(4) . ?
C8 C9 1.401(4) . ?
C8 C19 1.552(4) . ?
C9 C10 1.390(5) . ?
C9 H9 0.9500 . ?
C10 C11 1.377(5) . ?
C10 C23 1.525(5) . ?
C11 C12 1.403(4) . ?
C11 H11 0.9500 . ?
C12 C13 1.524(4) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.528(5) . ?
C14 C17 1.539(5) . ?
C14 C16 1.542(4) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
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 1.532(5) . ?
C19 C22 1.537(5) . ?
C19 C21 1.540(5) . ?
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 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 C31 1.481(6) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.488(7) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.510(6) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C48 C47 1.355(9) . ?
C48 C46 1.384(8) 2_655 ?
C48 H48 0.9500 . ?
C46 C47 1.368(9) . ?
C46 C48 1.384(8) 2_655 ?
C46 H46 0.9500 . ?
C47 H47 0.9500 . ?
C36 C37 1.483(8) . ?
C36 C35 1.504(7) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
O5 C37 1.405(8) . ?
O5 C34 1.412(8) . ?
C35 C34 1.510(8) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
O7 C45 1.373(8) . ?
O7 C42 1.427(9) . ?
C45 C44 1.478(8) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C40 C39 1.485(9) . ?
C40 C41 1.534(8) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 O6 1.383(9) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 C43 1.511(9) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C44 C43 1.516(9) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C38 O6 1.410(9) . ?
C38 C39 1.439(14) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C39 H39A 0.9900 . ?
C39 H39B 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
O3 Yb1 O1 C1 -173.9(4) . . . . ?
O2 Yb1 O1 C1 83.9(4) 2_767 . . . ?
O2 Yb1 O1 C1 3.5(4) . . . . ?
O4 Yb1 O1 C1 -94.2(4) . . . . ?
C7 Yb1 O1 C1 -14.9(4) . . . . ?
Yb1 Yb1 O1 C1 43.4(4) 2_767 . . . ?
O1 Yb1 O2 C7 -49.6(2) . . . . ?
O3 Yb1 O2 C7 127.0(2) . . . . ?
O2 Yb1 O2 C7 -154.6(2) 2_767 . . . ?
O4 Yb1 O2 C7 38.1(2) . . . . ?
Yb1 Yb1 O2 C7 -154.6(2) 2_767 . . . ?
O1 Yb1 O2 Yb1 105.06(9) . . . 2_767 ?
O3 Yb1 O2 Yb1 -78.32(14) . . . 2_767 ?
O2 Yb1 O2 Yb1 0.0 2_767 . . 2_767 ?
O4 Yb1 O2 Yb1 -167.21(9) . . . 2_767 ?
C7 Yb1 O2 Yb1 154.6(2) . . . 2_767 ?
N1 P1 O3 Yb1 3.6(18) . . . . ?
N2 P1 O3 Yb1 -113.7(17) . . . . ?
N3 P1 O3 Yb1 124.5(17) . . . . ?
O1 Yb1 O3 P1 5.3(18) . . . . ?
O2 Yb1 O3 P1 117.2(17) 2_767 . . . ?
O2 Yb1 O3 P1 -171.1(17) . . . . ?
O4 Yb1 O3 P1 -75.6(17) . . . . ?
C7 Yb1 O3 P1 -135.8(17) . . . . ?
Yb1 Yb1 O3 P1 146.2(17) 2_767 . . . ?
O1 Yb1 O4 C30 -137.9(4) . . . . ?
O3 Yb1 O4 C30 -19.9(4) . . . . ?
O2 Yb1 O4 C30 49.5(6) 2_767 . . . ?
O2 Yb1 O4 C30 114.7(4) . . . . ?
C7 Yb1 O4 C30 129.8(4) . . . . ?
Yb1 Yb1 O4 C30 103.6(4) 2_767 . . . ?
O1 Yb1 O4 C33 41.4(3) . . . . ?
O3 Yb1 O4 C33 159.4(3) . . . . ?
O2 Yb1 O4 C33 -131.2(3) 2_767 . . . ?
O2 Yb1 O4 C33 -66.1(3) . . . . ?
C7 Yb1 O4 C33 -51.0(3) . . . . ?
Yb1 Yb1 O4 C33 -77.1(3) 2_767 . . . ?
O3 P1 N1 C25 24.4(5) . . . . ?
N2 P1 N1 C25 149.0(5) . . . . ?
N3 P1 N1 C25 -95.5(5) . . . . ?
O3 P1 N1 C24 -158.3(5) . . . . ?
N2 P1 N1 C24 -33.7(5) . . . . ?
N3 P1 N1 C24 81.8(5) . . . . ?
O3 P1 N2 C26 -100.9(4) . . . . ?
N1 P1 N2 C26 138.5(4) . . . . ?
N3 P1 N2 C26 21.3(4) . . . . ?
O3 P1 N2 C27 58.0(4) . . . . ?
N1 P1 N2 C27 -62.5(4) . . . . ?
N3 P1 N2 C27 -179.8(4) . . . . ?
O3 P1 N3 C29 34.9(4) . . . . ?
N1 P1 N3 C29 155.4(4) . . . . ?
N2 P1 N3 C29 -91.6(4) . . . . ?
O3 P1 N3 C28 -162.8(4) . . . . ?
N1 P1 N3 C28 -42.3(5) . . . . ?
N2 P1 N3 C28 70.7(5) . . . . ?
Yb1 O1 C1 C6 -13.7(6) . . . . ?
Yb1 O1 C1 C2 166.0(3) . . . . ?
O1 C1 C2 C3 180.0(3) . . . . ?
C6 C1 C2 C3 -0.3(4) . . . . ?
O1 C1 C2 C14 -0.1(5) . . . . ?
C6 C1 C2 C14 179.6(3) . . . . ?
C1 C2 C3 C4 -0.7(5) . . . . ?
C14 C2 C3 C4 179.4(3) . . . . ?
C2 C3 C4 C5 0.9(6) . . . . ?
C2 C3 C4 C18 -179.8(4) . . . . ?
C3 C4 C5 C6 0.0(6) . . . . ?
C18 C4 C5 C6 -179.3(4) . . . . ?
C4 C5 C6 C1 -1.1(5) . . . . ?
C4 C5 C6 C13 179.3(3) . . . . ?
O1 C1 C6 C5 -179.1(3) . . . . ?
C2 C1 C6 C5 1.2(5) . . . . ?
O1 C1 C6 C13 0.5(4) . . . . ?
C2 C1 C6 C13 -179.2(3) . . . . ?
Yb1 O2 C7 C12 -72.9(4) 2_767 . . . ?
Yb1 O2 C7 C12 68.6(3) . . . . ?
Yb1 O2 C7 C8 108.0(3) 2_767 . . . ?
Yb1 O2 C7 C8 -110.4(3) . . . . ?
Yb1 O2 C7 Yb1 -141.5(3) 2_767 . . . ?
O1 Yb1 C7 O2 133.58(19) . . . . ?
O3 Yb1 C7 O2 -80.5(2) . . . . ?
O2 Yb1 C7 O2 24.8(2) 2_767 . . . ?
O4 Yb1 C7 O2 -141.6(2) . . . . ?
Yb1 Yb1 C7 O2 17.47(16) 2_767 . . . ?
O1 Yb1 C7 C12 8.24(19) . . . . ?
O3 Yb1 C7 C12 154.20(19) . . . . ?
O2 Yb1 C7 C12 -100.57(19) 2_767 . . . ?
O2 Yb1 C7 C12 -125.3(3) . . . . ?
O4 Yb1 C7 C12 93.04(19) . . . . ?
Yb1 Yb1 C7 C12 -107.86(19) 2_767 . . . ?
O1 Yb1 C7 C8 -124.8(2) . . . . ?
O3 Yb1 C7 C8 21.1(3) . . . . ?
O2 Yb1 C7 C8 126.3(2) 2_767 . . . ?
O2 Yb1 C7 C8 101.6(3) . . . . ?
O4 Yb1 C7 C8 -40.1(2) . . . . ?
Yb1 Yb1 C7 C8 119.1(2) 2_767 . . . ?
O2 C7 C8 C9 179.2(3) . . . . ?
C12 C7 C8 C9 0.1(4) . . . . ?
Yb1 C7 C8 C9 123.6(3) . . . . ?
O2 C7 C8 C19 -3.2(4) . . . . ?
C12 C7 C8 C19 177.8(3) . . . . ?
Yb1 C7 C8 C19 -58.8(4) . . . . ?
C7 C8 C9 C10 0.2(5) . . . . ?
C19 C8 C9 C10 -177.5(3) . . . . ?
C8 C9 C10 C11 -0.7(6) . . . . ?
C8 C9 C10 C23 178.2(4) . . . . ?
C9 C10 C11 C12 0.8(5) . . . . ?
C23 C10 C11 C12 -178.0(4) . . . . ?
C10 C11 C12 C7 -0.5(5) . . . . ?
C10 C11 C12 C13 175.3(3) . . . . ?
O2 C7 C12 C11 -179.0(3) . . . . ?
C8 C7 C12 C11 0.0(4) . . . . ?
Yb1 C7 C12 C11 -136.5(3) . . . . ?
O2 C7 C12 C13 5.3(4) . . . . ?
C8 C7 C12 C13 -175.7(3) . . . . ?
Yb1 C7 C12 C13 47.8(3) . . . . ?
C5 C6 C13 C12 -96.9(4) . . . . ?
C1 C6 C13 C12 83.4(3) . . . . ?
C11 C12 C13 C6 51.7(4) . . . . ?
C7 C12 C13 C6 -132.5(3) . . . . ?
C3 C2 C14 C15 119.8(3) . . . . ?
C1 C2 C14 C15 -60.0(4) . . . . ?
C3 C2 C14 C17 -119.2(3) . . . . ?
C1 C2 C14 C17 61.0(4) . . . . ?
C3 C2 C14 C16 0.4(5) . . . . ?
C1 C2 C14 C16 -179.5(3) . . . . ?
C9 C8 C19 C20 -127.7(4) . . . . ?
C7 C8 C19 C20 54.7(4) . . . . ?
C9 C8 C19 C22 -7.3(5) . . . . ?
C7 C8 C19 C22 175.1(3) . . . . ?
C9 C8 C19 C21 110.9(4) . . . . ?
C7 C8 C19 C21 -66.7(4) . . . . ?
C33 O4 C30 C31 -22.6(7) . . . . ?
Yb1 O4 C30 C31 156.7(6) . . . . ?
O4 C30 C31 C32 11.9(10) . . . . ?
C30 C31 C32 C33 2.7(10) . . . . ?
C30 O4 C33 C32 24.2(5) . . . . ?
Yb1 O4 C33 C32 -155.3(3) . . . . ?
C31 C32 C33 O4 -16.1(7) . . . . ?
C46 C48 C47 C46 -3.1(16) 2_655 . . . ?
C48 C46 C47 C48 3.1(17) 2_655 . . . ?
C37 C36 C35 C34 9.9(12) . . . . ?
C34 O5 C37 C36 -20.5(16) . . . . ?
C35 C36 C37 O5 5.5(14) . . . . ?
C37 O5 C34 C35 26.6(16) . . . . ?
C36 C35 C34 O5 -21.8(13) . . . . ?
C42 O7 C45 C44 -37.7(14) . . . . ?
C39 C40 C41 O6 -9.7(19) . . . . ?
C45 O7 C42 C43 29.8(16) . . . . ?
O7 C45 C44 C43 29.2(15) . . . . ?
O7 C42 C43 C44 -12.2(19) . . . . ?
C45 C44 C43 C42 -8.9(17) . . . . ?
O6 C38 C39 C40 -29(2) . . . . ?
C41 C40 C39 C38 21.4(16) . . . . ?
C40 C41 O6 C38 -7(2) . . . . ?
C39 C38 O6 C41 24(3) . . . . ?
