#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/05/7000542.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_7000542
loop_
_publ_author_name
'Dugah, Divine T.'
'Skelton, Brian W.'
'Delbridge, Ewan E.'
_publ_section_title
;
 Synthesis and characterization of new divalent lanthanide complexes
 supported by amine bis(phenolate) ligands and their applications in
 the ring opening polymerization of cyclic esters
;
_journal_issue                   8
_journal_name_full               'Dalton Transactions'
_journal_page_first              1436
_journal_paper_doi               10.1039/b816916k
_journal_year                    2009
_chemical_formula_moiety         'C76 H124 N4 O4 Yb2'
_chemical_formula_sum            'C76 H124 N4 O4 Yb2'
_chemical_formula_weight         1503.87
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2008-10-23T14:55:38-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 117.374(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.7477(3)
_cell_length_b                   32.4941(5)
_cell_length_c                   16.6133(3)
_cell_measurement_reflns_used    9537
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      67.1718
_cell_measurement_theta_min      2.7161
_cell_volume                     7549.2(3)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.5 (release 08-05-2007 CrysAlis171 .NET)
(compiled May 8 2007,13:10:02)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.32.5 (release 08-05-2007 CrysAlis171 .NET)
(compiled May 8 2007,13:10:02)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.5 (release 08-05-2007 CrysAlis171 .NET)
(compiled May 8 2007,13:10:02)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type
;
Oxford Diffraction Gemini diffractometer
;
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.1151
_diffrn_reflns_av_unetI/netI     0.0974
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            92938
_diffrn_reflns_theta_full        67.58
_diffrn_reflns_theta_max         67.58
_diffrn_reflns_theta_min         2.72
_exptl_absorpt_coefficient_mu    4.812
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.41864
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.5 (release 08-05-2007 CrysAlis171 .NET)
(compiled May 8 2007,13:10:02)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            dark_red
_exptl_crystal_density_diffrn    1.323
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             3120
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.291
_refine_diff_density_min         -1.431
_refine_diff_density_rms         0.108
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.881
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     723
_refine_ls_number_reflns         13445
_refine_ls_number_restraints     158
_refine_ls_restrained_S_all      0.899
_refine_ls_R_factor_all          0.1251
_refine_ls_R_factor_gt           0.0601
_refine_ls_shift/su_max          0.028
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1053P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1539
_refine_ls_wR_factor_ref         0.1886
_reflns_number_gt                6058
_reflns_number_total             13445
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            b816916k.txt
_cod_data_source_block           edybla
_cod_original_sg_symbol_Hall     -P_2yn
_cod_database_code               7000542
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Yb1 Yb 0.36808(3) 0.099443(11) 0.61985(2) 0.07307(12) Uani 1 1 d . . .
Yb2 Yb 0.18811(2) 0.174852(12) 0.57842(2) 0.06978(11) Uani 1 1 d . A .
N1 N 0.2741(3) 0.23237(18) 0.5431(3) 0.0657(17) Uani 1 1 d D . .
C101 C 0.2001(4) 0.2603(2) 0.4708(4) 0.0645(19) Uani 1 1 d . A .
H10A H 0.1864 0.2839 0.5008 0.077 Uiso 1 1 calc R . .
H10B H 0.2271 0.2714 0.4319 0.077 Uiso 1 1 calc R . .
C102 C 0.1116(5) 0.2389(2) 0.4146(5) 0.098(3) Uani 1 1 d . . .
H10C H 0.0674 0.2588 0.3698 0.118 Uiso 1 1 calc R A .
H10D H 0.1258 0.2174 0.3803 0.118 Uiso 1 1 calc R . .
N103 N 0.0616(4) 0.21966(18) 0.4584(3) 0.0745(18) Uani 1 1 d . A .
C104 C -0.0212(6) 0.2001(3) 0.4022(7) 0.185(6) Uani 1 1 d . . .
H10E H -0.0624 0.219 0.354 0.277 Uiso 1 1 calc R A .
H10F H -0.0543 0.1913 0.4369 0.277 Uiso 1 1 calc R . .
H10G H -0.0066 0.176 0.3753 0.277 Uiso 1 1 calc R . .
C105 C 0.0321(6) 0.2569(3) 0.5021(6) 0.114(4) Uani 1 1 d . . .
H10H H -0.0033 0.2773 0.4553 0.171 Uiso 1 1 calc R A .
H10I H 0.0898 0.2696 0.5498 0.171 Uiso 1 1 calc R . .
H10J H -0.0083 0.2467 0.5283 0.171 Uiso 1 1 calc R . .
C10 C 0.3435(4) 0.2144(3) 0.5137(4) 0.081(2) Uani 1 1 d . A .
H10K H 0.3885 0.1961 0.5623 0.097 Uiso 1 1 calc R . .
H10L H 0.3812 0.237 0.5059 0.097 Uiso 1 1 calc R . .
O11 O 0.2548(3) 0.13875(16) 0.5026(2) 0.0812(16) Uani 1 1 d . A .
C11 C 0.2563(5) 0.1521(3) 0.4248(4) 0.084(2) Uani 1 1 d . . .
C12 C 0.2962(5) 0.1900(3) 0.4262(4) 0.087(3) Uani 1 1 d . A .
C13 C 0.2966(5) 0.2068(3) 0.3490(4) 0.096(3) Uani 1 1 d . . .
H13 H 0.3235 0.2332 0.3511 0.115 Uiso 1 1 calc R C .
C14 C 0.2550(4) 0.1830(2) 0.2650(3) 0.138(4) Uani 1 1 d D C .
C141 C 0.2538(3) 0.20184(18) 0.1809(3) 0.158(5) Uani 1 1 d D . .
C142 C 0.3519(3) 0.2002(3) 0.1855(5) 0.197(6) Uiso 1 1 d D C .
H14A H 0.3797 0.1728 0.206 0.296 Uiso 1 1 calc R . .
H14B H 0.3931 0.221 0.2282 0.296 Uiso 1 1 calc R . .
H14C H 0.3464 0.2056 0.1253 0.296 Uiso 1 1 calc R . .
C143 C 0.1869(5) 0.1765(2) 0.0964(4) 0.193(6) Uiso 1 1 d D C .
H14D H 0.2187 0.1508 0.0948 0.29 Uiso 1 1 calc R . .
H14E H 0.1721 0.1925 0.0415 0.29 Uiso 1 1 calc R . .
H14F H 0.1276 0.1702 0.0993 0.29 Uiso 1 1 calc R . .
C144 C 0.2132(4) 0.24482(17) 0.1655(6) 0.249(8) Uiso 1 1 d D C .
H14G H 0.2188 0.2579 0.1144 0.298 Uiso 1 1 calc R . .
H14H H 0.2485 0.2618 0.2205 0.298 Uiso 1 1 calc R . .
C145 C 0.1064(4) 0.2413(3) 0.1437(7) 0.162(5) Uiso 1 1 d D . .
H14I H 0.0889 0.2648 0.17 0.242 Uiso 1 1 calc R C .
H14J H 0.0964 0.2157 0.1693 0.242 Uiso 1 1 calc R . .
H14K H 0.0663 0.2412 0.0778 0.242 Uiso 1 1 calc R . .
C15 C 0.2196(6) 0.1467(4) 0.2716(5) 0.147(5) Uani 1 1 d . . .
H15 H 0.1917 0.131 0.2173 0.177 Uiso 1 1 calc R C .
C16 C 0.2175(6) 0.1284(3) 0.3454(4) 0.103(3) Uani 1 1 d . C .
C161 C 0.1694(8) 0.0858(3) 0.3388(5) 0.128(4) Uani 1 1 d . . .
C162 C 0.0756(7) 0.0915(3) 0.3419(6) 0.130(4) Uani 1 1 d . C .
H16A H 0.0466 0.0646 0.3395 0.195 Uiso 1 1 calc R . .
H16B H 0.0322 0.1081 0.2899 0.195 Uiso 1 1 calc R . .
H16C H 0.0871 0.1056 0.3982 0.195 Uiso 1 1 calc R . .
C163 C 0.1483(10) 0.0627(3) 0.2503(6) 0.196(7) Uani 1 1 d . C .
H16D H 0.1137 0.0372 0.2471 0.294 Uiso 1 1 calc R . .
H16E H 0.2086 0.0562 0.2495 0.294 Uiso 1 1 calc R . .
H16F H 0.1092 0.0802 0.1981 0.294 Uiso 1 1 calc R . .
C164 C 0.2351(6) 0.0590(3) 0.4163(7) 0.139(4) Uani 1 1 d . C .
H16G H 0.2092 0.0307 0.4059 0.167 Uiso 1 1 calc R . .
H16H H 0.2361 0.0692 0.4729 0.167 Uiso 1 1 calc R . .
C165 C 0.3366(11) 0.0578(4) 0.4289(8) 0.264(8) Uani 1 1 d . . .
H16I H 0.3355 0.0554 0.3696 0.396 Uiso 1 1 calc R C .
H16J H 0.3702 0.0341 0.4665 0.396 Uiso 1 1 calc R . .
H16K H 0.3699 0.0832 0.4587 0.396 Uiso 1 1 calc R . .
C20 C 0.3256(7) 0.2632(4) 0.6279(7) 0.052(3) Uiso 0.5 1 d PD A 1
H20A H 0.3822 0.2494 0.676 0.063 Uiso 0.5 1 calc PR A 1
H20B H 0.348 0.2879 0.6083 0.063 Uiso 0.5 1 calc PR A 1
C20' C 0.3418(7) 0.2485(4) 0.6254(7) 0.052(3) Uiso 0.5 1 d PD A 2
H20S H 0.384 0.2679 0.6145 0.062 Uiso 0.5 1 calc PR A 2
H20T H 0.3819 0.226 0.6645 0.062 Uiso 0.5 1 calc PR A 2
O21 O 0.25703(13) 0.20817(14) 0.71203(16) 0.0883(15) Uiso 1 1 d D . .
C21 C 0.23281(14) 0.24646(19) 0.71228(18) 0.0534(15) Uiso 0.5 1 d PD A 1
C22 C 0.2569(3) 0.2767(2) 0.6674(3) 0.060(3) Uiso 0.5 1 d PD A 1
C23 C 0.2333(4) 0.3182(3) 0.6670(4) 0.064(3) Uiso 0.5 1 d PD A 1
H23 H 0.2522 0.3378 0.636 0.077 Uiso 0.5 1 calc PR A 1
C24 C 0.1821(4) 0.33052(13) 0.7123(4) 0.058(3) Uiso 0.5 1 d PD A 1
C25 C 0.1575(5) 0.2999(2) 0.7576(4) 0.060(3) Uiso 0.5 1 d PD A 1
H25 H 0.1221 0.3078 0.7885 0.072 Uiso 0.5 1 calc PR A 1
C26 C 0.1814(3) 0.25932(17) 0.7599(3) 0.061(3) Uiso 0.5 1 d PD A 1
C241 C 0.1529(4) 0.37554(19) 0.7061(3) 0.074(4) Uiso 0.5 1 d PD A 1
C242 C 0.0900(5) 0.3847(3) 0.6020(3) 0.060(3) Uiso 0.5 1 d PD A 1
H24A H 0.0351 0.4018 0.5935 0.09 Uiso 0.5 1 calc PR A 1
H24B H 0.0671 0.3587 0.5691 0.09 Uiso 0.5 1 calc PR A 1
H24C H 0.1285 0.3993 0.5787 0.09 Uiso 0.5 1 calc PR A 1
C243 C 0.0886(4) 0.3813(3) 0.7509(4) 0.103(5) Uiso 0.5 1 d PD A 1
H24D H 0.1183 0.3685 0.811 0.154 Uiso 0.5 1 calc PR A 1
H24E H 0.0264 0.3685 0.7135 0.154 Uiso 0.5 1 calc PR A 1
H24F H 0.0797 0.4108 0.7572 0.154 Uiso 0.5 1 calc PR A 1
C244 C 0.2354(4) 0.4047(2) 0.7407(6) 0.096(5) Uiso 0.5 1 d PD A 1
H24G H 0.213 0.4335 0.7271 0.115 Uiso 0.5 1 calc PR A 1
H24H H 0.2784 0.3988 0.7136 0.115 Uiso 0.5 1 calc PR A 1
C245 C 0.2894(11) 0.3965(5) 0.8498(10) 0.093(5) Uiso 0.5 1 d PD A 1
H24I H 0.2576 0.4123 0.8785 0.139 Uiso 0.5 1 calc PR A 1
H24J H 0.3563 0.4052 0.8747 0.139 Uiso 0.5 1 calc PR A 1
H24K H 0.2867 0.3671 0.8616 0.139 Uiso 0.5 1 calc PR A 1
C261 C 0.1660(4) 0.22993(19) 0.8237(4) 0.054(3) Uiso 0.5 1 d PD A 1
C262 C 0.1101(4) 0.2514(2) 0.8656(4) 0.090(5) Uiso 0.5 1 d PD A 1
H26A H 0.0612 0.2691 0.8202 0.135 Uiso 0.5 1 calc PR A 1
H26B H 0.1538 0.2681 0.9172 0.135 Uiso 0.5 1 calc PR A 1
H26C H 0.0793 0.2307 0.8865 0.135 Uiso 0.5 1 calc PR A 1
C263 C 0.2624(4) 0.2158(2) 0.8991(4) 0.058(3) Uiso 0.5 1 d PD A 1
H26D H 0.2877 0.2369 0.9466 0.087 Uiso 0.5 1 calc PR A 1
H26E H 0.3073 0.2116 0.8742 0.087 Uiso 0.5 1 calc PR A 1
H26F H 0.254 0.19 0.925 0.087 Uiso 0.5 1 calc PR A 1
C264 C 0.1112(6) 0.19242(18) 0.7693(5) 0.085(4) Uiso 0.5 1 d PD A 1
H26G H 0.1482 0.1787 0.7423 0.103 Uiso 0.5 1 calc PRD A 1
H26H H 0.1021 0.1726 0.8099 0.103 Uiso 0.5 1 calc PR A 1
C265 C 0.0176(13) 0.2053(7) 0.6971(13) 0.149(8) Uiso 0.5 1 d PD A 1
H26I H 0.0019 0.2327 0.7112 0.223 Uiso 0.5 1 calc PR A 1
H26J H -0.0314 0.1856 0.6928 0.223 Uiso 0.5 1 calc PR A 1
H26K H 0.02 0.2063 0.6393 0.223 Uiso 0.5 1 calc PR A 1
C21' C 0.25148(18) 0.2484(3) 0.7197(2) 0.0534(15) Uiso 0.5 1 d PD A 2
C22' C 0.2907(4) 0.2719(2) 0.6755(4) 0.035(2) Uiso 0.5 1 d PD A 2
C23' C 0.2882(5) 0.3141(2) 0.6791(5) 0.052(3) Uiso 0.5 1 d PD A 2
H23' H 0.314 0.3296 0.647 0.062 Uiso 0.5 1 calc PR A 2
C24' C 0.2503(4) 0.33476(13) 0.7268(4) 0.064(3) Uiso 0.5 1 d PD A 2
C25' C 0.2083(5) 0.3104(3) 0.7702(5) 0.059(3) Uiso 0.5 1 d PD A 2
H25' H 0.1793 0.3238 0.8021 0.071 Uiso 0.5 1 calc PR A 2
C26' C 0.2081(3) 0.26786(19) 0.7676(3) 0.049(3) Uiso 0.5 1 d PD A 2
C246 C 0.2480(4) 0.38167(19) 0.7299(4) 0.072(4) Uiso 0.5 1 d PD A 2
C247 C 0.2908(4) 0.4010(3) 0.6734(4) 0.102(5) Uiso 0.5 1 d PD A 2
H24L H 0.2593 0.3897 0.6118 0.153 Uiso 0.5 1 calc PR A 2
H24M H 0.3594 0.3949 0.701 0.153 Uiso 0.5 1 calc PR A 2
H24N H 0.2814 0.4309 0.6709 0.153 Uiso 0.5 1 calc PR A 2
C248 C 0.3076(5) 0.3963(2) 0.8283(3) 0.057(3) Uiso 0.5 1 d PD A 2
H24O H 0.3709 0.4052 0.8373 0.086 Uiso 0.5 1 calc PR A 2
H24P H 0.3147 0.3737 0.87 0.086 Uiso 0.5 1 calc PR A 2
H24Q H 0.2751 0.4194 0.8404 0.086 Uiso 0.5 1 calc PR A 2
C249 C 0.1448(4) 0.3956(3) 0.6949(6) 0.097(5) Uiso 0.5 1 d PD A 2
H24R H 0.1428 0.4256 0.6839 0.116 Uiso 0.5 1 calc PR A 2
H24S H 0.127 0.3913 0.7442 0.116 Uiso 0.5 1 calc PR A 2
C240 C 0.0654(11) 0.3752(6) 0.6074(10) 0.101(6) Uiso 0.5 1 d PD A 2
H24T H 0.0791 0.3803 0.5563 0.151 Uiso 0.5 1 calc PR A 2
H24U H 0.0031 0.3871 0.594 0.151 Uiso 0.5 1 calc PR A 2
H24V H 0.0643 0.3455 0.6169 0.151 Uiso 0.5 1 calc PR A 2
C266 C 0.1457(4) 0.2452(2) 0.8006(4) 0.085(4) Uiso 0.5 1 d PD A 2
C267 C 0.1370(6) 0.2689(3) 0.8747(4) 0.122(7) Uiso 0.5 1 d PD A 2
H26L H 0.0831 0.288 0.8476 0.183 Uiso 0.5 1 calc PR A 2
H26M H 0.1961 0.2843 0.9101 0.183 Uiso 0.5 1 calc PR A 2
H26N H 0.1263 0.2496 0.9145 0.183 Uiso 0.5 1 calc PR A 2
C268 C 0.0485(4) 0.2354(3) 0.7231(5) 0.120(6) Uiso 0.5 1 d PD A 2
H26O H 0.0087 0.2222 0.7469 0.179 Uiso 0.5 1 calc PR A 2
H26P H 0.0561 0.2166 0.6806 0.179 Uiso 0.5 1 calc PR A 2
H26Q H 0.0178 0.2608 0.6916 0.179 Uiso 0.5 1 calc PR A 2
C269 C 0.1937(6) 0.2063(2) 0.8516(6) 0.086(4) Uiso 0.5 1 d PD A 2
H26R H 0.1562 0.1965 0.882 0.103 Uiso 0.5 1 calc PR A 2
H26S H 0.1866 0.1853 0.8057 0.103 Uiso 0.5 1 calc PR A 2
C260 C 0.2955(10) 0.2061(5) 0.9205(10) 0.092(5) Uiso 0.5 1 d PD A 2
H26T H 0.336 0.2037 0.8903 0.138 Uiso 0.5 1 calc PR A 2
H26U H 0.3073 0.1827 0.9614 0.138 Uiso 0.5 1 calc PR A 2
H26V H 0.3104 0.2317 0.9554 0.138 Uiso 0.5 1 calc PR A 2
N2 N 0.4627(3) 0.11529(15) 0.7871(3) 0.0581(15) Uani 1 1 d . C .
C201 C 0.5146(5) 0.07820(19) 0.8368(4) 0.072(2) Uani 1 1 d . . .
H20C H 0.5759 0.0866 0.8883 0.086 Uiso 0.5 1 calc PR B 1
H20D H 0.4762 0.0641 0.8619 0.086 Uiso 0.5 1 calc PR B 1
H20U H 0.5756 0.0868 0.8886 0.086 Uiso 0.5 1 d PR B 1
H20V H 0.4762 0.0639 0.8617 0.086 Uiso 0.5 1 d PR B 1
C202 C 0.5329(6) 0.0508(2) 0.7822(5) 0.087(5) Uani 0.5 1 d PD C 1
H20W H 0.5728 0.0281 0.821 0.104 Uiso 0.5 1 calc PR C 1
H20X H 0.5714 0.0653 0.7578 0.104 Uiso 0.5 1 calc PR C 1
N203 N 0.4452(4) 0.03170(17) 0.7020(3) 0.095(2) Uani 1 1 d D C .
C204 C 0.3901(5) 0.0078(4) 0.7370(6) 0.129(7) Uiso 0.5 1 d PD C 1
H20E H 0.3319 -0.0028 0.6862 0.193 Uiso 0.5 1 calc PR C 1
H20F H 0.3728 0.0256 0.7749 0.193 Uiso 0.5 1 calc PR C 1
H20G H 0.429 -0.0152 0.7734 0.193 Uiso 0.5 1 calc PR C 1
C205 C 0.4814(7) 0.0056(4) 0.6510(6) 0.113(6) Uiso 0.5 1 d PD C 1
H20H H 0.5403 0.0176 0.655 0.17 Uiso 0.5 1 calc PR C 1
H20I H 0.4331 0.0041 0.5873 0.17 Uiso 0.5 1 calc PR C 1
H20J H 0.4947 -0.0222 0.6771 0.17 Uiso 0.5 1 calc PR C 1
C206 C 0.4561(5) 0.0379(3) 0.7928(4) 0.066(3) Uiso 0.5 1 d PD C 2
H20K H 0.4895 0.0139 0.831 0.079 Uiso 0.5 1 calc PR C 2
H20L H 0.3922 0.0399 0.7902 0.079 Uiso 0.5 1 calc PR C 2
C207 C 0.5336(4) 0.0247(4) 0.6963(6) 0.095(5) Uiso 0.5 1 d PD C 2
H20M H 0.5717 0.0036 0.7405 0.143 Uiso 0.5 1 calc PR C 2
H20N H 0.5702 0.0503 0.7093 0.143 Uiso 0.5 1 calc PR C 2
H20O H 0.5186 0.0152 0.6351 0.143 Uiso 0.5 1 calc PR C 2
C208 C 0.3757(6) -0.0040(3) 0.6559(7) 0.105(5) Uiso 0.5 1 d PD C 2
H20P H 0.3754 -0.0105 0.5982 0.157 Uiso 0.5 1 calc PR C 2
H20Q H 0.3111 0.004 0.6447 0.157 Uiso 0.5 1 calc PR C 2
H20R H 0.3961 -0.0282 0.6955 0.157 Uiso 0.5 1 calc PR C 2
C30 C 0.3993(4) 0.13259(18) 0.8241(3) 0.0588(19) Uani 1 1 d . . .
H30A H 0.4389 0.139 0.8891 0.071 Uiso 1 1 calc R C .
H30B H 0.3713 0.1588 0.7924 0.071 Uiso 1 1 calc R . .
O31 O 0.2446(3) 0.11279(12) 0.6553(2) 0.0665(14) Uani 1 1 d . A .
C31 C 0.2414(5) 0.0969(2) 0.7312(4) 0.071(2) Uani 1 1 d . . .
C32 C 0.3204(4) 0.10472(19) 0.8144(4) 0.064(2) Uani 1 1 d . C .
C33 C 0.3194(4) 0.0896(2) 0.8928(4) 0.077(2) Uani 1 1 d . . .
H33 H 0.3724 0.0959 0.9495 0.092 Uiso 1 1 calc R C .
C34 C 0.2457(4) 0.06588(18) 0.8933(3) 0.089(3) Uani 1 1 d D C .
C341 C 0.2519(3) 0.04645(16) 0.9795(3) 0.102(3) Uani 1 1 d D . .
C342 C 0.3345(5) 0.0644(2) 1.0635(4) 0.202(6) Uiso 1 1 d D C .
H34A H 0.35 0.0919 1.0495 0.304 Uiso 1 1 calc R . .
H34B H 0.3906 0.0465 1.0827 0.304 Uiso 1 1 calc R . .
H34C H 0.3163 0.0665 1.1123 0.304 Uiso 1 1 calc R . .
C343 C 0.1597(3) 0.0529(3) 0.9853(5) 0.179(5) Uiso 1 1 d D C .
H34D H 0.168 0.0437 1.0447 0.269 Uiso 1 1 calc R . .
H34E H 0.1084 0.037 0.9375 0.269 Uiso 1 1 calc R . .
H34F H 0.1429 0.0822 0.9775 0.269 Uiso 1 1 calc R . .
C344 C 0.2674(6) -0.00009(15) 0.9765(6) 0.170(5) Uiso 1 1 d D C .
H34G H 0.2705 -0.0129 1.0318 0.203 Uiso 1 1 calc R . .
H34H H 0.2118 -0.012 0.9236 0.203 Uiso 1 1 calc R . .
C345 C 0.3538(7) -0.0101(3) 0.9702(7) 0.138(4) Uiso 1 1 d D . .
H34I H 0.3507 0.0021 0.9149 0.207 Uiso 1 1 calc R C .
H34J H 0.3598 -0.04 0.9682 0.207 Uiso 1 1 calc R . .
H34K H 0.4093 0.001 1.0232 0.207 Uiso 1 1 calc R . .
C35 C 0.1704(5) 0.0585(2) 0.8054(5) 0.091(3) Uani 1 1 d . . .
H35 H 0.1197 0.0414 0.8017 0.11 Uiso 1 1 calc R C .
C36 C 0.1626(4) 0.07365(18) 0.7234(3) 0.087(3) Uani 1 1 d D C .
C361 C 0.0783(4) 0.06245(17) 0.6314(4) 0.131(4) Uani 1 1 d D . .
C362 C 0.1124(4) 0.03022(19) 0.5856(4) 0.165(5) Uiso 1 1 d D C .
H36A H 0.129 0.0048 0.6214 0.248 Uiso 1 1 calc R . .
H36B H 0.1688 0.0406 0.5817 0.248 Uiso 1 1 calc R . .
H36C H 0.0613 0.0246 0.5245 0.248 Uiso 1 1 calc R . .
C363 C -0.0034(3) 0.0451(2) 0.6473(5) 0.164(5) Uiso 1 1 d D C .
H36D H -0.0236 0.0659 0.6777 0.246 Uiso 1 1 calc R . .
H36E H 0.0187 0.0205 0.6854 0.246 Uiso 1 1 calc R . .
H36F H -0.0575 0.0379 0.589 0.246 Uiso 1 1 calc R . .
C364 C 0.0416(5) 0.10053(15) 0.5722(4) 0.118(3) Uiso 1 1 d D C .
H36G H 0.0904 0.1106 0.555 0.142 Uiso 1 1 calc R . .
H36H H -0.0171 0.0937 0.516 0.142 Uiso 1 1 calc R . .
C365 C 0.0204(8) 0.1328(3) 0.6234(8) 0.249(8) Uiso 1 1 d D . .
H36I H -0.0469 0.131 0.61 0.373 Uiso 1 1 calc R C .
H36J H 0.033 0.16 0.6055 0.373 Uiso 1 1 calc R . .
H36K H 0.0612 0.1288 0.6885 0.373 Uiso 1 1 calc RD . .
C40 C 0.5319(4) 0.14959(19) 0.7987(4) 0.0602(18) Uani 1 1 d . . .
H40A H 0.4953 0.1734 0.7621 0.072 Uiso 1 1 calc R C .
H40B H 0.5631 0.1582 0.863 0.072 Uiso 1 1 calc R . .
O41 O 0.4931(3) 0.13088(16) 0.6213(3) 0.0823(16) Uani 1 1 d . C .
C41 C 0.5839(5) 0.1339(2) 0.6805(4) 0.078(2) Uani 1 1 d . . .
C42 C 0.6081(4) 0.1390(2) 0.7721(4) 0.073(2) Uani 1 1 d . C .
C43 C 0.7025(4) 0.1391(3) 0.8386(5) 0.095(3) Uani 1 1 d . . .
H43 H 0.7157 0.1425 0.9001 0.114 Uiso 1 1 calc R C .
C44 C 0.7789(3) 0.1345(2) 0.8185(3) 0.131(4) Uani 1 1 d D C .
C441 C 0.8855(3) 0.13262(11) 0.8914(3) 0.156(4) Uiso 1 1 d D . .
C442 C 0.9340(5) 0.17169(18) 0.8818(6) 0.099(5) Uiso 0.5 1 d PD C 1
H44A H 1.002 0.1662 0.9019 0.148 Uiso 0.5 1 calc PR C 1
H44B H 0.9274 0.1936 0.9191 0.148 Uiso 0.5 1 calc PR C 1
H44C H 0.9037 0.1804 0.8182 0.148 Uiso 0.5 1 calc PR C 1
C443 C 0.8919(6) 0.1313(3) 0.9855(3) 0.111(6) Uiso 0.5 1 d PD C 1
H44D H 0.8611 0.1062 0.992 0.167 Uiso 0.5 1 calc PR C 1
H44E H 0.8596 0.1554 0.9941 0.167 Uiso 0.5 1 calc PR C 1
H44F H 0.9592 0.1315 1.0312 0.167 Uiso 0.5 1 calc PR C 1
C444 C 0.9297(5) 0.09455(16) 0.8744(6) 0.149(9) Uiso 0.5 1 d PD C 1
H44G H 0.9234 0.0958 0.8123 0.179 Uiso 0.5 1 calc PR C 1
H44H H 0.9988 0.094 0.9176 0.179 Uiso 0.5 1 calc PR C 1
C445 C 0.8837(9) 0.05577(19) 0.8846(10) 0.105(6) Uiso 0.5 1 d PD C 1
H44I H 0.8431 0.0622 0.9133 0.157 Uiso 0.5 1 calc PR C 1
H44J H 0.9334 0.0362 0.9224 0.157 Uiso 0.5 1 calc PR C 1
H44K H 0.8446 0.0436 0.8247 0.157 Uiso 0.5 1 calc PR C 1
C446 C 0.9051(7) 0.16702(19) 0.9589(5) 0.34(3) Uiso 0.5 1 d PD C 2
H44L H 0.9556 0.1585 1.0183 0.514 Uiso 0.5 1 calc PR C 2
H44M H 0.8467 0.1732 0.9637 0.514 Uiso 0.5 1 calc PR C 2
H44N H 0.9257 0.1916 0.9384 0.514 Uiso 0.5 1 calc PR C 2
C447 C 0.9504(4) 0.1348(3) 0.8477(5) 0.138(8) Uiso 0.5 1 d PD C 2
H44O H 1.0161 0.1285 0.8929 0.206 Uiso 0.5 1 calc PR C 2
H44P H 0.948 0.1625 0.8236 0.206 Uiso 0.5 1 calc PR C 2
H44Q H 0.9296 0.1147 0.7983 0.206 Uiso 0.5 1 calc PR C 2
C448 C 0.8988(8) 0.09072(16) 0.9397(5) 0.172(10) Uiso 0.5 1 d PD C 2
H44R H 0.9664 0.0873 0.9853 0.207 Uiso 0.5 1 calc PR C 2
H44S H 0.8588 0.0898 0.9714 0.207 Uiso 0.5 1 calc PR C 2
C449 C 0.870(3) 0.0564(2) 0.8716(10) 0.32(3) Uiso 0.5 1 d PD C 2
H44T H 0.8259 0.0669 0.8115 0.474 Uiso 0.5 1 calc PR C 2
H44U H 0.8393 0.0345 0.8889 0.474 Uiso 0.5 1 calc PR C 2
H44V H 0.9275 0.0454 0.8699 0.474 Uiso 0.5 1 calc PR C 2
C45 C 0.7544(6) 0.1307(4) 0.7275(6) 0.149(4) Uani 1 1 d . . .
H45 H 0.805 0.1287 0.7116 0.179 Uiso 1 1 calc R C .
C46 C 0.6582(6) 0.1294(3) 0.6551(5) 0.126(4) Uani 1 1 d . C .
C461 C 0.6383(7) 0.1268(4) 0.5568(6) 0.154(4) Uani 1 1 d D . .
C462 C 0.7336(7) 0.1343(5) 0.5451(7) 0.225(7) Uani 1 1 d D C .
H46A H 0.7601 0.1615 0.569 0.337 Uiso 1 1 calc R . .
H46B H 0.7174 0.1328 0.4808 0.337 Uiso 1 1 calc R . .
H46C H 0.781 0.113 0.5786 0.337 Uiso 1 1 calc R . .
C463 C 0.5649(6) 0.1590(3) 0.4959(5) 0.127(4) Uani 1 1 d . C .
H46D H 0.55 0.1541 0.4325 0.191 Uiso 1 1 calc R . .
H46E H 0.5917 0.1866 0.514 0.191 Uiso 1 1 calc R . .
H46F H 0.5064 0.1566 0.5025 0.191 Uiso 1 1 calc R . .
C464 C 0.5956(9) 0.0863(4) 0.5222(6) 0.208(6) Uani 1 1 d . C .
H46G H 0.5725 0.0846 0.4559 0.25 Uiso 1 1 calc R . .
H46H H 0.5412 0.0811 0.5353 0.25 Uiso 1 1 calc R . .
C465 C 0.6788(11) 0.0542(4) 0.5736(7) 0.267(9) Uani 1 1 d . . .
H46I H 0.7165 0.0509 0.5407 0.401 Uiso 1 1 calc R C .
H46J H 0.6512 0.0276 0.577 0.401 Uiso 1 1 calc R . .
H46K H 0.7202 0.0642 0.6351 0.401 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 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Yb Yb -7.2108 4.4329 '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
O41 Yb1 O31 139.35(17) . . ?
O41 Yb1 O11 95.26(17) . . ?
O31 Yb1 O11 72.52(16) . . ?
O41 Yb1 N2 79.74(16) . . ?
O31 Yb1 N2 79.76(15) . . ?
O11 Yb1 N2 130.20(16) . . ?
O41 Yb1 N203 100.88(18) . . ?
O31 Yb1 N203 105.73(17) . . ?
O11 Yb1 N203 154.74(16) . . ?
N2 Yb1 N203 72.33(15) . . ?
O21 Yb2 O11 130.66(12) . . ?
O21 Yb2 O31 89.23(14) . . ?
O11 Yb2 O31 72.72(16) . . ?
O21 Yb2 N1 78.85(14) . . ?
O11 Yb2 N1 79.73(18) . . ?
O31 Yb2 N1 130.93(16) . . ?
O21 Yb2 N103 110.37(17) . . ?
O11 Yb2 N103 104.76(17) . . ?
O31 Yb2 N103 153.12(16) . . ?
N1 Yb2 N103 72.78(16) . . ?
C20' N1 C10 97.1(6) . . ?
C20' N1 C101 120.7(7) . . ?
C10 N1 C101 112.4(5) . . ?
C10 N1 C20 112.2(6) . . ?
C101 N1 C20 102.3(6) . . ?
C20' N1 Yb2 107.4(6) . . ?
C10 N1 Yb2 109.5(4) . . ?
C101 N1 Yb2 109.0(3) . . ?
C20 N1 Yb2 111.3(5) . . ?
C102 C101 N1 112.3(5) . . ?
C102 C101 H10A 109.1 . . ?
N1 C101 H10A 109.1 . . ?
C102 C101 H10B 109.1 . . ?
N1 C101 H10B 109.1 . . ?
H10A C101 H10B 107.9 . . ?
N103 C102 C101 118.1(6) . . ?
N103 C102 H10C 107.8 . . ?
C101 C102 H10C 107.8 . . ?
N103 C102 H10D 107.8 . . ?
C101 C102 H10D 107.8 . . ?
H10C C102 H10D 107.1 . . ?
C104 N103 C102 115.5(7) . . ?
C104 N103 C105 106.2(7) . . ?
C102 N103 C105 104.1(6) . . ?
C104 N103 Yb2 115.5(5) . . ?
C102 N103 Yb2 103.4(4) . . ?
C105 N103 Yb2 111.6(4) . . ?
N103 C104 H10E 109.5 . . ?
N103 C104 H10F 109.5 . . ?
H10E C104 H10F 109.5 . . ?
N103 C104 H10G 109.5 . . ?
H10E C104 H10G 109.5 . . ?
H10F C104 H10G 109.5 . . ?
N103 C105 H10H 109.5 . . ?
N103 C105 H10I 109.5 . . ?
H10H C105 H10I 109.5 . . ?
N103 C105 H10J 109.5 . . ?
H10H C105 H10J 109.5 . . ?
H10I C105 H10J 109.5 . . ?
N1 C10 C12 113.8(5) . . ?
N1 C10 H10K 108.8 . . ?
C12 C10 H10K 108.8 . . ?
N1 C10 H10L 108.8 . . ?
C12 C10 H10L 108.8 . . ?
H10K C10 H10L 107.7 . . ?
C11 O11 Yb2 124.3(4) . . ?
C11 O11 Yb1 128.5(4) . . ?
Yb2 O11 Yb1 100.92(16) . . ?
O11 C11 C12 118.1(6) . . ?
O11 C11 C16 121.6(8) . . ?
C12 C11 C16 120.3(7) . . ?
C11 C12 C13 121.8(7) . . ?
C11 C12 C10 120.1(6) . . ?
C13 C12 C10 118.0(8) . . ?
C12 C13 C14 118.9(8) . . ?
C12 C13 H13 120.6 . . ?
C14 C13 H13 120.6 . . ?
C15 C14 C13 114.2(6) . . ?
C15 C14 C141 127.2(6) . . ?
C13 C14 C141 118.6(6) . . ?
C144 C141 C142 112.7(5) . . ?
C144 C141 C14 110.7(5) . . ?
C142 C141 C14 111.0(4) . . ?
C144 C141 C143 106.3(4) . . ?
C142 C141 C143 106.3(5) . . ?
C14 C141 C143 109.7(5) . . ?
C141 C142 H14A 109.5 . . ?
C141 C142 H14B 109.5 . . ?
H14A C142 H14B 109.5 . . ?
C141 C142 H14C 109.5 . . ?
H14A C142 H14C 109.5 . . ?
H14B C142 H14C 109.5 . . ?
C141 C143 H14D 109.5 . . ?
C141 C143 H14E 109.5 . . ?
H14D C143 H14E 109.5 . . ?
C141 C143 H14F 109.5 . . ?
H14D C143 H14F 109.5 . . ?
H14E C143 H14F 109.5 . . ?
C141 C144 C145 107.5(5) . . ?
C141 C144 H14G 110.2 . . ?
C145 C144 H14G 110.2 . . ?
C141 C144 H14H 110.2 . . ?
C145 C144 H14H 110.2 . . ?
H14G C144 H14H 108.5 . . ?
C144 C145 H14I 109.5 . . ?
C144 C145 H14J 109.5 . . ?
H14I C145 H14J 109.5 . . ?
C144 C145 H14K 109.5 . . ?
H14I C145 H14K 109.5 . . ?
H14J C145 H14K 109.5 . . ?
C14 C15 C16 129.7(8) . . ?
C14 C15 H15 115.2 . . ?
C16 C15 H15 115.2 . . ?
C15 C16 C11 115.0(9) . . ?
C15 C16 C161 122.1(8) . . ?
C11 C16 C161 122.8(8) . . ?
C164 C161 C162 109.9(9) . . ?
C164 C161 C163 107.2(8) . . ?
C162 C161 C163 107.8(9) . . ?
C164 C161 C16 109.5(7) . . ?
C162 C161 C16 109.9(8) . . ?
C163 C161 C16 112.5(9) . . ?
C161 C162 H16A 109.5 . . ?
C161 C162 H16B 109.5 . . ?
H16A C162 H16B 109.5 . . ?
C161 C162 H16C 109.5 . . ?
H16A C162 H16C 109.5 . . ?
H16B C162 H16C 109.5 . . ?
C161 C163 H16D 109.5 . . ?
C161 C163 H16E 109.5 . . ?
H16D C163 H16E 109.5 . . ?
C161 C163 H16F 109.5 . . ?
H16D C163 H16F 109.5 . . ?
H16E C163 H16F 109.5 . . ?
C161 C164 C165 113.6(11) . . ?
C161 C164 H16G 108.9 . . ?
C165 C164 H16G 108.9 . . ?
C161 C164 H16H 108.9 . . ?
C165 C164 H16H 108.9 . . ?
H16G C164 H16H 107.7 . . ?
C164 C165 H16I 109.5 . . ?
C164 C165 H16J 109.5 . . ?
H16I C165 H16J 109.5 . . ?
C164 C165 H16K 109.5 . . ?
H16I C165 H16K 109.5 . . ?
H16J C165 H16K 109.5 . . ?
C22 C20 N1 112.0(7) . . ?
C22 C20 H20A 109.2 . . ?
N1 C20 H20A 109.2 . . ?
C22 C20 H20B 109.2 . . ?
N1 C20 H20B 109.2 . . ?
H20A C20 H20B 107.9 . . ?
N1 C20' C22' 110.5(7) . . ?
N1 C20' H20S 109.5 . . ?
C22' C20' H20S 109.5 . . ?
N1 C20' H20T 109.5 . . ?
C22' C20' H20T 109.5 . . ?
H20S C20' H20T 108.1 . . ?
C21 O21 Yb2 117.00(16) . . ?
C21' O21 Yb2 123.3(2) . . ?
O21 C21 C22 121.5(4) . . ?
O21 C21 C26 121.5(5) . . ?
C22 C21 C26 117.0(5) . . ?
C21 C22 C23 123.2(6) . . ?
C21 C22 C20 116.0(7) . . ?
C23 C22 C20 120.2(8) . . ?
C24 C23 C22 119.7(7) . . ?
C24 C23 H23 120.2 . . ?
C22 C23 H23 120.2 . . ?
C23 C24 C25 117.1(6) . . ?
C23 C24 C241 118.2(6) . . ?
C25 C24 C241 124.6(6) . . ?
C26 C25 C24 123.9(7) . . ?
C26 C25 H25 118 . . ?
C24 C25 H25 118 . . ?
C25 C26 C21 119.1(6) . . ?
C25 C26 C261 119.5(6) . . ?
C21 C26 C261 120.8(5) . . ?
C244 C241 C243 113.0(6) . . ?
C244 C241 C24 113.7(5) . . ?
C243 C241 C24 109.5(5) . . ?
C244 C241 C242 107.4(5) . . ?
C243 C241 C242 106.8(5) . . ?
C24 C241 C242 105.9(5) . . ?
C241 C244 C245 104.0(8) . . ?
C241 C244 H24G 111 . . ?
C245 C244 H24G 111 . . ?
C241 C244 H24H 111 . . ?
C245 C244 H24H 111 . . ?
H24G C244 H24H 109 . . ?
C262 C261 C264 110.3(5) . . ?
C262 C261 C26 110.0(5) . . ?
C264 C261 C26 108.4(5) . . ?
C262 C261 C263 109.1(5) . . ?
C264 C261 C263 108.9(5) . . ?
C26 C261 C263 110.0(5) . . ?
C265 C264 C261 109.7(10) . . ?
C265 C264 H26G 109.7 . . ?
C261 C264 H26G 109.7 . . ?
C265 C264 H26H 109.7 . . ?
C261 C264 H26H 109.7 . . ?
H26G C264 H26H 108.2 . . ?
O21 C21' C22' 115.4(5) . . ?
O21 C21' C26' 124.6(5) . . ?
C22' C21' C26' 119.9(7) . . ?
C23' C22' C21' 119.9(7) . . ?
C23' C22' C20' 122.0(8) . . ?
C21' C22' C20' 118.0(7) . . ?
C24' C23' C22' 122.9(7) . . ?
C24' C23' H23' 118.5 . . ?
C22' C23' H23' 118.5 . . ?
C23' C24' C25' 116.7(6) . . ?
C23' C24' C246 122.3(6) . . ?
C25' C24' C246 121.0(6) . . ?
C26' C25' C24' 122.4(7) . . ?
C26' C25' H25' 118.8 . . ?
C24' C25' H25' 118.8 . . ?
C25' C26' C21' 118.1(6) . . ?
C25' C26' C266 117.8(6) . . ?
C21' C26' C266 123.1(6) . . ?
C249 C246 C247 109.9(5) . . ?
C249 C246 C24' 108.8(5) . . ?
C247 C246 C24' 111.5(6) . . ?
C249 C246 C248 109.7(6) . . ?
C247 C246 C248 107.5(5) . . ?
C24' C246 C248 109.4(5) . . ?
C246 C247 H24L 109.5 . . ?
C246 C247 H24M 109.5 . . ?
H24L C247 H24M 109.5 . . ?
C246 C247 H24N 109.5 . . ?
H24L C247 H24N 109.5 . . ?
H24M C247 H24N 109.5 . . ?
C246 C248 H24O 109.5 . . ?
C246 C248 H24P 109.5 . . ?
H24O C248 H24P 109.5 . . ?
C246 C248 H24Q 109.5 . . ?
H24O C248 H24Q 109.5 . . ?
H24P C248 H24Q 109.5 . . ?
C246 C249 C240 119.2(9) . . ?
C246 C249 H24R 107.5 . . ?
C240 C249 H24R 107.5 . . ?
C246 C249 H24S 107.5 . . ?
C240 C249 H24S 107.5 . . ?
H24R C249 H24S 107 . . ?
C249 C240 H24T 109.5 . . ?
C249 C240 H24U 109.5 . . ?
H24T C240 H24U 109.5 . . ?
C249 C240 H24V 109.5 . . ?
H24T C240 H24V 109.5 . . ?
H24U C240 H24V 109.5 . . ?
C267 C266 C268 111.5(5) . . ?
C267 C266 C269 100.2(7) . . ?
C268 C266 C269 110.4(6) . . ?
C267 C266 C26' 111.3(6) . . ?
C268 C266 C26' 111.4(5) . . ?
C269 C266 C26' 111.5(6) . . ?
C266 C267 H26L 109.5 . . ?
C266 C267 H26M 109.5 . . ?
H26L C267 H26M 109.5 . . ?
C266 C267 H26N 109.5 . . ?
H26L C267 H26N 109.5 . . ?
H26M C267 H26N 109.5 . . ?
C266 C268 H26O 109.5 . . ?
C266 C268 H26P 109.5 . . ?
H26O C268 H26P 109.5 . . ?
C266 C268 H26Q 109.5 . . ?
H26O C268 H26Q 109.5 . . ?
H26P C268 H26Q 109.5 . . ?
C260 C269 C266 121.4(9) . . ?
C260 C269 H26R 107 . . ?
C266 C269 H26R 107 . . ?
C260 C269 H26S 107 . . ?
C266 C269 H26S 107 . . ?
H26R C269 H26S 106.7 . . ?
C269 C260 H26T 109.5 . . ?
C269 C260 H26U 109.5 . . ?
H26T C260 H26U 109.5 . . ?
C269 C260 H26V 109.5 . . ?
H26T C260 H26V 109.5 . . ?
H26U C260 H26V 109.5 . . ?
C201 N2 C30 112.2(5) . . ?
C201 N2 C40 110.5(4) . . ?
C30 N2 C40 104.4(4) . . ?
C201 N2 Yb1 110.1(3) . . ?
C30 N2 Yb1 111.0(3) . . ?
C40 N2 Yb1 108.5(3) . . ?
C202 C201 N2 112.6(6) . . ?
N2 C201 C206 111.3(5) . . ?
C202 C201 H20C 109.1 . . ?
N2 C201 H20C 109.1 . . ?
C202 C201 H20D 109.1 . . ?
N2 C201 H20D 109.1 . . ?
H20C C201 H20D 107.8 . . ?
C202 C201 H20U 109.6 . . ?
N2 C201 H20U 108.8 . . ?
H20D C201 H20U 107.5 . . ?
C202 C201 H20V 108.7 . . ?
N2 C201 H20V 109.2 . . ?
H20C C201 H20V 108 . . ?
H20U C201 H20V 107.8 . . ?
C201 C202 N203 116.6(7) . . ?
C201 C202 H20W 108.1 . . ?
N203 C202 H20W 108.1 . . ?
C201 C202 H20X 108.1 . . ?
N203 C202 H20X 108.1 . . ?
H20W C202 H20X 107.3 . . ?
C206 N203 C207 115.4(5) . . ?
C204 N203 C205 112.1(7) . . ?
C206 N203 C208 109.9(6) . . ?
C207 N203 C208 109.4(6) . . ?
C204 N203 C202 109.1(5) . . ?
C205 N203 C202 107.2(6) . . ?
C206 N203 Yb1 103.5(5) . . ?
C207 N203 Yb1 109.3(6) . . ?
C204 N203 Yb1 116.1(5) . . ?
C205 N203 Yb1 113.4(5) . . ?
C208 N203 Yb1 109.1(5) . . ?
C202 N203 Yb1 97.5(4) . . ?
N203 C204 H20E 109.5 . . ?
N203 C204 H20F 109.5 . . ?
N203 C204 H20G 109.5 . . ?
N203 C205 H20H 109.5 . . ?
N203 C205 H20I 109.5 . . ?
N203 C205 H20J 109.5 . . ?
N203 C206 C201 111.4(7) . . ?
N203 C206 H20K 109.4 . . ?
C201 C206 H20K 109.4 . . ?
N203 C206 H20L 109.4 . . ?
C201 C206 H20L 109.4 . . ?
H20K C206 H20L 108 . . ?
N203 C207 H20M 109.5 . . ?
N203 C207 H20N 109.5 . . ?
H20M C207 H20N 109.5 . . ?
N203 C207 H20O 109.5 . . ?
H20M C207 H20O 109.5 . . ?
H20N C207 H20O 109.5 . . ?
N203 C208 H20P 109.5 . . ?
N203 C208 H20Q 109.5 . . ?
H20P C208 H20Q 109.5 . . ?
N203 C208 H20R 109.5 . . ?
H20P C208 H20R 109.5 . . ?
H20Q C208 H20R 109.5 . . ?
C32 C30 N2 114.1(5) . . ?
C32 C30 H30A 108.7 . . ?
N2 C30 H30A 108.7 . . ?
C32 C30 H30B 108.7 . . ?
N2 C30 H30B 108.7 . . ?
H30A C30 H30B 107.6 . . ?
C31 O31 Yb1 123.3(4) . . ?
C31 O31 Yb2 130.9(4) . . ?
Yb1 O31 Yb2 100.16(17) . . ?
O31 C31 C32 116.5(6) . . ?
O31 C31 C36 121.1(5) . . ?
C32 C31 C36 122.4(6) . . ?
C31 C32 C33 118.2(6) . . ?
C31 C32 C30 122.6(6) . . ?
C33 C32 C30 118.7(5) . . ?
C34 C33 C32 124.4(5) . . ?
C34 C33 H33 117.8 . . ?
C32 C33 H33 117.8 . . ?
C33 C34 C35 113.1(5) . . ?
C33 C34 C341 122.6(4) . . ?
C35 C34 C341 124.0(5) . . ?
C343 C341 C342 109.3(5) . . ?
C343 C341 C34 110.7(4) . . ?
C342 C341 C34 111.1(5) . . ?
C343 C341 C344 108.0(5) . . ?
C342 C341 C344 109.1(5) . . ?
C34 C341 C344 108.6(5) . . ?
C341 C342 H34A 109.5 . . ?
C341 C342 H34B 109.5 . . ?
H34A C342 H34B 109.5 . . ?
C341 C342 H34C 109.5 . . ?
H34A C342 H34C 109.5 . . ?
H34B C342 H34C 109.5 . . ?
C341 C343 H34D 109.5 . . ?
C341 C343 H34E 109.5 . . ?
H34D C343 H34E 109.5 . . ?
C341 C343 H34F 109.5 . . ?
H34D C343 H34F 109.5 . . ?
H34E C343 H34F 109.5 . . ?
C345 C344 C341 113.0(7) . . ?
C345 C344 H34G 109 . . ?
C341 C344 H34G 109 . . ?
C345 C344 H34H 109 . . ?
C341 C344 H34H 109 . . ?
H34G C344 H34H 107.8 . . ?
C344 C345 H34I 109.5 . . ?
C344 C345 H34J 109.5 . . ?
H34I C345 H34J 109.5 . . ?
C344 C345 H34K 109.5 . . ?
H34I C345 H34K 109.5 . . ?
H34J C345 H34K 109.5 . . ?
C36 C35 C34 126.9(6) . . ?
C36 C35 H35 116.5 . . ?
C34 C35 H35 116.5 . . ?
C35 C36 C31 114.8(5) . . ?
C35 C36 C361 122.2(5) . . ?
C31 C36 C361 122.7(5) . . ?
C364 C361 C362 110.6(5) . . ?
C364 C361 C363 108.1(5) . . ?
C362 C361 C363 110.4(5) . . ?
C364 C361 C36 110.4(4) . . ?
C362 C361 C36 108.4(4) . . ?
C363 C361 C36 108.9(5) . . ?
C361 C362 H36A 109.5 . . ?
C361 C362 H36B 109.5 . . ?
H36A C362 H36B 109.5 . . ?
C361 C362 H36C 109.5 . . ?
H36A C362 H36C 109.5 . . ?
H36B C362 H36C 109.5 . . ?
C361 C363 H36D 109.5 . . ?
C361 C363 H36E 109.5 . . ?
H36D C363 H36E 109.5 . . ?
C361 C363 H36F 109.5 . . ?
H36D C363 H36F 109.5 . . ?
H36E C363 H36F 109.5 . . ?
C365 C364 C361 108.9(7) . . ?
C365 C364 H36G 109.9 . . ?
C361 C364 H36G 109.9 . . ?
C365 C364 H36H 109.9 . . ?
C361 C364 H36H 109.9 . . ?
H36G C364 H36H 108.3 . . ?
C364 C365 H36I 109.5 . . ?
C364 C365 H36J 109.5 . . ?
H36I C365 H36J 109.5 . . ?
C364 C365 H36K 109.5 . . ?
H36I C365 H36K 109.5 . . ?
H36J C365 H36K 109.5 . . ?
C42 C40 N2 115.1(5) . . ?
C42 C40 H40A 108.5 . . ?
N2 C40 H40A 108.5 . . ?
C42 C40 H40B 108.5 . . ?
N2 C40 H40B 108.5 . . ?
H40A C40 H40B 107.5 . . ?
C41 O41 Yb1 134.5(5) . . ?
O41 C41 C42 118.8(7) . . ?
O41 C41 C46 122.0(6) . . ?
C42 C41 C46 119.1(6) . . ?
C43 C42 C41 121.6(7) . . ?
C43 C42 C40 118.4(6) . . ?
C41 C42 C40 119.6(5) . . ?
C42 C43 C44 122.4(7) . . ?
C42 C43 H43 118.8 . . ?
C44 C43 H43 118.8 . . ?
C45 C44 C43 115.6(5) . . ?
C45 C44 C441 120.4(6) . . ?
C43 C44 C441 123.9(5) . . ?
C447 C441 C446 111.8(5) . . ?
C444 C441 C443 110.6(5) . . ?
C444 C441 C442 111.5(5) . . ?
C443 C441 C442 109.3(5) . . ?
C447 C441 C448 109.4(5) . . ?
C446 C441 C448 109.5(5) . . ?
C447 C441 C44 110.7(4) . . ?
C444 C441 C44 108.2(4) . . ?
C446 C441 C44 109.2(5) . . ?
C443 C441 C44 109.8(5) . . ?
C442 C441 C44 107.4(4) . . ?
C448 C441 C44 106.1(5) . . ?
C441 C442 H44A 109.5 . . ?
C441 C442 H44B 109.5 . . ?
C441 C442 H44C 109.5 . . ?
C441 C443 H44D 109.5 . . ?
C441 C443 H44E 109.5 . . ?
C441 C443 H44F 109.5 . . ?
C445 C444 C441 112.3(6) . . ?
C445 C444 H44G 109.2 . . ?
C441 C444 H44G 109.2 . . ?
C445 C444 H44H 109.2 . . ?
C441 C444 H44H 109.2 . . ?
H44G C444 H44H 107.9 . . ?
C441 C446 H44L 109.5 . . ?
C441 C446 H44M 109.5 . . ?
H44L C446 H44M 109.5 . . ?
C441 C446 H44N 109.5 . . ?
H44L C446 H44N 109.5 . . ?
H44M C446 H44N 109.5 . . ?
C441 C447 H44O 109.5 . . ?
C441 C447 H44P 109.5 . . ?
H44O C447 H44P 109.5 . . ?
C441 C447 H44Q 109.5 . . ?
H44O C447 H44Q 109.5 . . ?
H44P C447 H44Q 109.5 . . ?
C449 C448 C441 109.9(6) . . ?
C449 C448 H44R 109.7 . . ?
C441 C448 H44R 109.7 . . ?
C449 C448 H44S 109.7 . . ?
C441 C448 H44S 109.7 . . ?
H44R C448 H44S 108.2 . . ?
C448 C449 H44T 109.5 . . ?
C448 C449 H44U 109.5 . . ?
H44T C449 H44U 109.5 . . ?
C448 C449 H44V 109.5 . . ?
H44T C449 H44V 109.5 . . ?
H44U C449 H44V 109.5 . . ?
C44 C45 C46 125.0(9) . . ?
C44 C45 H45 117.5 . . ?
C46 C45 H45 117.5 . . ?
C41 C46 C45 116.3(8) . . ?
C41 C46 C461 122.3(7) . . ?
C45 C46 C461 121.3(9) . . ?
C464 C461 C46 107.6(10) . . ?
C464 C461 C463 106.3(8) . . ?
C46 C461 C463 113.0(9) . . ?
C464 C461 C462 111.7(10) . . ?
C46 C461 C462 112.1(8) . . ?
C463 C461 C462 106.1(9) . . ?
C461 C462 H46A 109.5 . . ?
C461 C462 H46B 109.5 . . ?
H46A C462 H46B 109.5 . . ?
C461 C462 H46C 109.5 . . ?
H46A C462 H46C 109.5 . . ?
H46B C462 H46C 109.5 . . ?
C461 C463 H46D 109.5 . . ?
C461 C463 H46E 109.5 . . ?
H46D C463 H46E 109.5 . . ?
C461 C463 H46F 109.5 . . ?
H46D C463 H46F 109.5 . . ?
H46E C463 H46F 109.5 . . ?
C461 C464 C465 105.3(10) . . ?
C461 C464 H46G 110.7 . . ?
C465 C464 H46G 110.7 . . ?
C461 C464 H46H 110.7 . . ?
C465 C464 H46H 110.7 . . ?
H46G C464 H46H 108.8 . . ?
C464 C465 H46I 109.5 . . ?
C464 C465 H46J 109.5 . . ?
H46I C465 H46J 109.5 . . ?
C464 C465 H46K 109.5 . . ?
H46I C465 H46K 109.5 . . ?
H46J C465 H46K 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 O41 2.208(5) . ?
Yb1 O31 2.316(5) . ?
Yb1 O11 2.326(4) . ?
Yb1 N2 2.530(4) . ?
Yb1 N203 2.580(5) . ?
Yb1 C202 3.174(8) . ?
Yb1 Yb2 3.5660(5) . ?
Yb2 O21 2.250(3) . ?
Yb2 O11 2.298(5) . ?
Yb2 O31 2.333(4) . ?
Yb2 N1 2.531(6) . ?
Yb2 N103 2.532(5) . ?
Yb2 C102 3.189(7) . ?
N1 C20' 1.393(10) . ?
N1 C10 1.505(9) . ?
N1 C101 1.529(7) . ?
N1 C20 1.610(11) . ?
C101 C102 1.451(9) . ?
C101 H10A 0.99 . ?
C101 H10B 0.99 . ?
C102 N103 1.437(10) . ?
C102 H10C 0.99 . ?
C102 H10D 0.99 . ?
N103 C104 1.362(9) . ?
N103 C105 1.585(11) . ?
C104 H10E 0.98 . ?
C104 H10F 0.98 . ?
C104 H10G 0.98 . ?
C105 H10H 0.98 . ?
C105 H10I 0.98 . ?
C105 H10J 0.98 . ?
C10 C12 1.515(9) . ?
C10 H10K 0.99 . ?
C10 H10L 0.99 . ?
O11 C11 1.374(8) . ?
C11 C12 1.378(12) . ?
C11 C16 1.403(10) . ?
C12 C13 1.396(10) . ?
C13 C14 1.460(9) . ?
C13 H13 0.95 . ?
C14 C15 1.333(14) . ?
C14 C141 1.518(6) . ?
C141 C144 1.508(6) . ?
C141 C142 1.512(6) . ?
C141 C143 1.548(6) . ?
C142 H14A 0.98 . ?
C142 H14B 0.98 . ?
C142 H14C 0.98 . ?
C143 H14D 0.98 . ?
C143 H14E 0.98 . ?
C143 H14F 0.98 . ?
C144 C145 1.554(7) . ?
C144 H14G 0.99 . ?
C144 H14H 0.99 . ?
C145 H14I 0.98 . ?
C145 H14J 0.98 . ?
C145 H14K 0.98 . ?
C15 C16 1.375(13) . ?
C15 H15 0.95 . ?
C16 C161 1.557(14) . ?
C161 C164 1.505(12) . ?
C161 C162 1.513(15) . ?
C161 C163 1.545(12) . ?
C162 H16A 0.98 . ?
C162 H16B 0.98 . ?
C162 H16C 0.98 . ?
C163 H16D 0.98 . ?
C163 H16E 0.98 . ?
C163 H16F 0.98 . ?
C164 C165 1.515(18) . ?
C164 H16G 0.99 . ?
C164 H16H 0.99 . ?
C165 H16I 0.98 . ?
C165 H16J 0.98 . ?
C165 H16K 0.98 . ?
C20 C22 1.564(13) . ?
C20 H20A 0.99 . ?
C20 H20B 0.99 . ?
C20' C22' 1.592(14) . ?
C20' H20S 0.99 . ?
C20' H20T 0.99 . ?
O21 C21 1.302(7) . ?
O21 C21' 1.319(9) . ?
C21 C22 1.388(9) . ?
C21 C26 1.429(7) . ?
C22 C23 1.396(10) . ?
C23 C24 1.392(10) . ?
C23 H23 0.95 . ?
C24 C25 1.406(9) . ?
C24 C241 1.523(7) . ?
C25 C26 1.366(9) . ?
C25 H25 0.95 . ?
C26 C261 1.526(7) . ?
C241 C244 1.493(6) . ?
C241 C243 1.520(7) . ?
C241 C242 1.577(6) . ?
C242 H24A 0.98 . ?
C242 H24B 0.98 . ?
C242 H24C 0.98 . ?
C243 H24D 0.98 . ?
C243 H24E 0.98 . ?
C243 H24F 0.98 . ?
C244 C245 1.631(17) . ?
C244 H24G 0.99 . ?
C244 H24H 0.99 . ?
C245 H24I 0.98 . ?
C245 H24J 0.98 . ?
C245 H24K 0.98 . ?
C261 C262 1.521(7) . ?
C261 C264 1.526(7) . ?
C261 C263 1.528(6) . ?
C262 H26A 0.98 . ?
C262 H26B 0.98 . ?
C262 H26C 0.98 . ?
C263 H26D 0.98 . ?
C263 H26E 0.98 . ?
C263 H26F 0.98 . ?
C264 C265 1.469(17) . ?
C264 H26G 0.99 . ?
C264 H26H 0.99 . ?
C265 H26I 0.98 . ?
C265 H26J 0.98 . ?
C265 H26K 0.98 . ?
C21' C22' 1.386(9) . ?
C21' C26' 1.415(8) . ?
C22' C23' 1.374(10) . ?
C23' C24' 1.368(10) . ?
C23' H23' 0.95 . ?
C24' C25' 1.424(10) . ?
C24' C246 1.526(7) . ?
C25' C26' 1.382(10) . ?
C25' H25' 0.95 . ?
C26' C266 1.518(7) . ?
C246 C249 1.520(6) . ?
C246 C247 1.521(7) . ?
C246 C248 1.539(6) . ?
C247 H24L 0.98 . ?
C247 H24M 0.98 . ?
C247 H24N 0.98 . ?
C248 H24O 0.98 . ?
C248 H24P 0.98 . ?
C248 H24Q 0.98 . ?
C249 C240 1.563(15) . ?
C249 H24R 0.99 . ?
C249 H24S 0.99 . ?
C240 H24T 0.98 . ?
C240 H24U 0.98 . ?
C240 H24V 0.98 . ?
C266 C267 1.510(8) . ?
C266 C268 1.513(6) . ?
C266 C269 1.517(7) . ?
C267 H26L 0.98 . ?
C267 H26M 0.98 . ?
C267 H26N 0.98 . ?
C268 H26O 0.98 . ?
C268 H26P 0.98 . ?
C268 H26Q 0.98 . ?
C269 C260 1.480(14) . ?
C269 H26R 0.99 . ?
C269 H26S 0.99 . ?
C260 H26T 0.98 . ?
C260 H26U 0.98 . ?
C260 H26V 0.98 . ?
N2 C201 1.477(7) . ?
N2 C30 1.501(8) . ?
N2 C40 1.508(8) . ?
C201 C202 1.393(11) . ?
C201 C206 1.574(11) . ?
C201 H20C 0.99 . ?
C201 H20D 0.99 . ?
C201 H20U 0.99 . ?
C201 H20V 0.99 . ?
C202 N203 1.543(8) . ?
C202 H20W 0.99 . ?
C202 H20X 0.99 . ?
N203 C206 1.451(8) . ?
N203 C207 1.458(9) . ?
N203 C204 1.468(10) . ?
N203 C205 1.486(10) . ?
N203 C208 1.536(9) . ?
C204 H20E 0.98 . ?
C204 H20F 0.98 . ?
C204 H20G 0.98 . ?
C205 H20H 0.98 . ?
C205 H20I 0.98 . ?
C205 H20J 0.98 . ?
C206 H20K 0.99 . ?
C206 H20L 0.99 . ?
C207 H20M 0.98 . ?
C207 H20N 0.98 . ?
C207 H20O 0.98 . ?
C208 H20P 0.98 . ?
C208 H20Q 0.98 . ?
C208 H20R 0.98 . ?
C30 C32 1.486(9) . ?
C30 H30A 0.99 . ?
C30 H30B 0.99 . ?
O31 C31 1.385(8) . ?
C31 C32 1.393(8) . ?
C31 C36 1.408(9) . ?
C32 C33 1.399(10) . ?
C33 C34 1.395(9) . ?
C33 H33 0.95 . ?
C34 C35 1.415(8) . ?
C34 C341 1.527(6) . ?
C341 C343 1.514(7) . ?
C341 C342 1.521(6) . ?
C341 C344 1.536(6) . ?
C342 H34A 0.98 . ?
C342 H34B 0.98 . ?
C342 H34C 0.98 . ?
C343 H34D 0.98 . ?
C343 H34E 0.98 . ?
C343 H34F 0.98 . ?
C344 C345 1.449(12) . ?
C344 H34G 0.99 . ?
C344 H34H 0.99 . ?
C345 H34I 0.98 . ?
C345 H34J 0.98 . ?
C345 H34K 0.98 . ?
C35 C36 1.401(10) . ?
C35 H35 0.95 . ?
C36 C361 1.538(6) . ?
C361 C364 1.520(6) . ?
C361 C362 1.529(7) . ?
C361 C363 1.535(7) . ?
C362 H36A 0.98 . ?
C362 H36B 0.98 . ?
C362 H36C 0.98 . ?
C363 H36D 0.98 . ?
C363 H36E 0.98 . ?
C363 H36F 0.98 . ?
C364 C365 1.481(9) . ?
C364 H36G 0.99 . ?
C364 H36H 0.99 . ?
C365 H36I 0.98 . ?
C365 H36J 0.98 . ?
C365 H36K 0.98 . ?
C40 C42 1.496(10) . ?
C40 H40A 0.99 . ?
C40 H40B 0.99 . ?
O41 C41 1.315(7) . ?
C41 C42 1.398(9) . ?
C41 C46 1.423(12) . ?
C42 C43 1.386(8) . ?
C43 C44 1.398(9) . ?
C43 H43 0.95 . ?
C44 C45 1.384(11) . ?
C44 C441 1.555(5) . ?
C441 C447 1.502(7) . ?
C441 C444 1.508(6) . ?
C441 C446 1.511(6) . ?
C441 C443 1.521(6) . ?
C441 C442 1.527(6) . ?
C441 C448 1.545(6) . ?
C442 H44A 0.98 . ?
C442 H44B 0.98 . ?
C442 H44C 0.98 . ?
C443 H44D 0.98 . ?
C443 H44E 0.98 . ?
C443 H44F 0.98 . ?
C444 C445 1.502(8) . ?
C444 H44G 0.99 . ?
C444 H44H 0.99 . ?
C445 H44I 0.98 . ?
C445 H44J 0.98 . ?
C445 H44K 0.98 . ?
C446 H44L 0.98 . ?
C446 H44M 0.98 . ?
C446 H44N 0.98 . ?
C447 H44O 0.98 . ?
C447 H44P 0.98 . ?
C447 H44Q 0.98 . ?
C448 C449 1.503(9) . ?
C448 H44R 0.99 . ?
C448 H44S 0.99 . ?
C449 H44T 0.98 . ?
C449 H44U 0.98 . ?
C449 H44V 0.98 . ?
C45 C46 1.438(11) . ?
C45 H45 0.95 . ?
C46 C461 1.517(12) . ?
C461 C464 1.471(17) . ?
C461 C463 1.541(13) . ?
C461 C462 1.616(15) . ?
C462 H46A 0.98 . ?
C462 H46B 0.98 . ?
C462 H46C 0.98 . ?
C463 H46D 0.98 . ?
C463 H46E 0.98 . ?
C463 H46F 0.98 . ?
C464 C465 1.583(16) . ?
C464 H46G 0.99 . ?
C464 H46H 0.99 . ?
C465 H46I 0.98 . ?
C465 H46J 0.98 . ?
C465 H46K 0.98 . ?
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
O41 Yb1 Yb2 O21 -70.96(15) . . . . ?
O31 Yb1 Yb2 O21 77.49(17) . . . . ?
O11 Yb1 Yb2 O21 -146.7(2) . . . . ?
N2 Yb1 Yb2 O21 9.85(16) . . . . ?
N203 Yb1 Yb2 O21 75.4(2) . . . . ?
C202 Yb1 Yb2 O21 27.0(3) . . . . ?
O41 Yb1 Yb2 O11 75.8(2) . . . . ?
O31 Yb1 Yb2 O11 -135.8(2) . . . . ?
N2 Yb1 Yb2 O11 156.6(2) . . . . ?
N203 Yb1 Yb2 O11 -137.9(3) . . . . ?
C202 Yb1 Yb2 O11 173.7(3) . . . . ?
O41 Yb1 Yb2 O31 -148.45(17) . . . . ?
O11 Yb1 Yb2 O31 135.8(2) . . . . ?
N2 Yb1 Yb2 O31 -67.64(18) . . . . ?
N203 Yb1 Yb2 O31 -2.1(2) . . . . ?
C202 Yb1 Yb2 O31 -50.5(3) . . . . ?
O41 Yb1 Yb2 N1 8.55(14) . . . . ?
O31 Yb1 Yb2 N1 157.01(16) . . . . ?
O11 Yb1 Yb2 N1 -67.2(2) . . . . ?
N2 Yb1 Yb2 N1 89.37(15) . . . . ?
N203 Yb1 Yb2 N1 154.9(2) . . . . ?
C202 Yb1 Yb2 N1 106.5(3) . . . . ?
O41 Yb1 Yb2 N103 75.8(2) . . . . ?
O31 Yb1 Yb2 N103 -135.7(3) . . . . ?
O11 Yb1 Yb2 N103 0.1(3) . . . . ?
N2 Yb1 Yb2 N103 156.6(3) . . . . ?
N203 Yb1 Yb2 N103 -137.8(3) . . . . ?
C202 Yb1 Yb2 N103 173.8(3) . . . . ?
O41 Yb1 Yb2 C21 -60.09(15) . . . . ?
O31 Yb1 Yb2 C21 88.36(17) . . . . ?
O11 Yb1 Yb2 C21 -135.9(2) . . . . ?
N2 Yb1 Yb2 C21 20.72(16) . . . . ?
N203 Yb1 Yb2 C21 86.3(2) . . . . ?
C202 Yb1 Yb2 C21 37.9(3) . . . . ?
O41 Yb1 Yb2 C21' -57.49(16) . . . . ?
O31 Yb1 Yb2 C21' 90.96(18) . . . . ?
O11 Yb1 Yb2 C21' -133.2(2) . . . . ?
N2 Yb1 Yb2 C21' 23.32(17) . . . . ?
N203 Yb1 Yb2 C21' 88.9(2) . . . . ?
C202 Yb1 Yb2 C21' 40.5(3) . . . . ?
O41 Yb1 Yb2 C102 51.87(19) . . . . ?
O31 Yb1 Yb2 C102 -159.7(2) . . . . ?
O11 Yb1 Yb2 C102 -23.9(3) . . . . ?
N2 Yb1 Yb2 C102 132.7(2) . . . . ?
N203 Yb1 Yb2 C102 -161.8(2) . . . . ?
C202 Yb1 Yb2 C102 149.9(3) . . . . ?
O21 Yb2 N1 C20' 16.8(6) . . . . ?
O11 Yb2 N1 C20' -118.5(6) . . . . ?
O31 Yb2 N1 C20' -62.3(6) . . . . ?
N103 Yb2 N1 C20' 132.4(6) . . . . ?
C21 Yb2 N1 C20' 37.5(6) . . . . ?
C21' Yb2 N1 C20' 33.5(6) . . . . ?
C102 Yb2 N1 C20' 146.2(7) . . . . ?
Yb1 Yb2 N1 C20' -81.6(6) . . . . ?
O21 Yb2 N1 C10 121.2(3) . . . . ?
O11 Yb2 N1 C10 -14.1(3) . . . . ?
O31 Yb2 N1 C10 42.1(4) . . . . ?
N103 Yb2 N1 C10 -123.2(3) . . . . ?
C21 Yb2 N1 C10 141.9(3) . . . . ?
C21' Yb2 N1 C10 137.9(3) . . . . ?
C102 Yb2 N1 C10 -109.4(4) . . . . ?
Yb1 Yb2 N1 C10 22.8(3) . . . . ?
O21 Yb2 N1 C101 -115.5(4) . . . . ?
O11 Yb2 N1 C101 109.2(4) . . . . ?
O31 Yb2 N1 C101 165.4(3) . . . . ?
N103 Yb2 N1 C101 0.1(4) . . . . ?
C21 Yb2 N1 C101 -94.8(4) . . . . ?
C21' Yb2 N1 C101 -98.8(4) . . . . ?
C102 Yb2 N1 C101 13.9(4) . . . . ?
Yb1 Yb2 N1 C101 146.1(4) . . . . ?
O21 Yb2 N1 C20 -3.4(5) . . . . ?
O11 Yb2 N1 C20 -138.7(5) . . . . ?
O31 Yb2 N1 C20 -82.5(5) . . . . ?
N103 Yb2 N1 C20 112.2(5) . . . . ?
C21 Yb2 N1 C20 17.3(5) . . . . ?
C21' Yb2 N1 C20 13.3(5) . . . . ?
C102 Yb2 N1 C20 126.0(6) . . . . ?
Yb1 Yb2 N1 C20 -101.8(5) . . . . ?
C20' N1 C101 C102 -150.7(8) . . . . ?
C10 N1 C101 C102 95.8(7) . . . . ?
C20 N1 C101 C102 -143.7(7) . . . . ?
Yb2 N1 C101 C102 -25.8(7) . . . . ?
N1 C101 C102 N103 57.6(9) . . . . ?
N1 C101 C102 Yb2 19.2(5) . . . . ?
O21 Yb2 C102 N103 -94.7(4) . . . . ?
O11 Yb2 C102 N103 132.5(4) . . . . ?
O31 Yb2 C102 N103 110.3(6) . . . . ?
N1 Yb2 C102 N103 -148.8(5) . . . . ?
C21 Yb2 C102 N103 -86.7(4) . . . . ?
C21' Yb2 C102 N103 -91.2(4) . . . . ?
Yb1 Yb2 C102 N103 147.5(4) . . . . ?
O21 Yb2 C102 C101 40.1(5) . . . . ?
O11 Yb2 C102 C101 -92.7(5) . . . . ?
O31 Yb2 C102 C101 -114.9(5) . . . . ?
N1 Yb2 C102 C101 -13.9(4) . . . . ?
N103 Yb2 C102 C101 134.8(8) . . . . ?
C21 Yb2 C102 C101 48.1(5) . . . . ?
C21' Yb2 C102 C101 43.6(5) . . . . ?
Yb1 Yb2 C102 C101 -77.6(5) . . . . ?
C101 C102 N103 C104 179.7(7) . . . . ?
Yb2 C102 N103 C104 -127.2(8) . . . . ?
C101 C102 N103 C105 63.7(7) . . . . ?
Yb2 C102 N103 C105 116.8(4) . . . . ?
C101 C102 N103 Yb2 -53.1(7) . . . . ?
O21 Yb2 N103 C104 -137.7(7) . . . . ?
O11 Yb2 N103 C104 77.6(8) . . . . ?
O31 Yb2 N103 C104 -3.3(10) . . . . ?
N1 Yb2 N103 C104 151.6(8) . . . . ?
C21 Yb2 N103 C104 -140.0(8) . . . . ?
C21' Yb2 N103 C104 -143.7(8) . . . . ?
C102 Yb2 N103 C104 127.2(9) . . . . ?
Yb1 Yb2 N103 C104 77.5(8) . . . . ?
O21 Yb2 N103 C102 95.1(4) . . . . ?
O11 Yb2 N103 C102 -49.6(5) . . . . ?
O31 Yb2 N103 C102 -130.4(5) . . . . ?
N1 Yb2 N103 C102 24.4(4) . . . . ?
C21 Yb2 N103 C102 92.8(4) . . . . ?
C21' Yb2 N103 C102 89.1(4) . . . . ?
Yb1 Yb2 N103 C102 -49.7(5) . . . . ?
O21 Yb2 N103 C105 -16.3(5) . . . . ?
O11 Yb2 N103 C105 -161.0(5) . . . . ?
O31 Yb2 N103 C105 118.2(5) . . . . ?
N1 Yb2 N103 C105 -86.9(5) . . . . ?
C21 Yb2 N103 C105 -18.6(5) . . . . ?
C21' Yb2 N103 C105 -22.3(5) . . . . ?
C102 Yb2 N103 C105 -111.4(7) . . . . ?
Yb1 Yb2 N103 C105 -161.0(4) . . . . ?
C20' N1 C10 C12 175.4(8) . . . . ?
C101 N1 C10 C12 -57.2(8) . . . . ?
C20 N1 C10 C12 -171.8(7) . . . . ?
Yb2 N1 C10 C12 64.0(6) . . . . ?
O21 Yb2 O11 C11 -108.6(5) . . . . ?
O31 Yb2 O11 C11 178.0(5) . . . . ?
N1 Yb2 O11 C11 -43.1(5) . . . . ?
N103 Yb2 O11 C11 25.9(5) . . . . ?
C21 Yb2 O11 C11 -79.9(5) . . . . ?
C21' Yb2 O11 C11 -81.5(5) . . . . ?
C102 Yb2 O11 C11 6.4(5) . . . . ?
Yb1 Yb2 O11 C11 -154.1(6) . . . . ?
O21 Yb2 O11 Yb1 45.6(3) . . . . ?
O31 Yb2 O11 Yb1 -27.83(15) . . . . ?
N1 Yb2 O11 Yb1 111.07(18) . . . . ?
N103 Yb2 O11 Yb1 -179.96(18) . . . . ?
C21 Yb2 O11 Yb1 74.2(3) . . . . ?
C21' Yb2 O11 Yb1 72.7(3) . . . . ?
C102 Yb2 O11 Yb1 160.5(2) . . . . ?
O41 Yb1 O11 C11 40.3(6) . . . . ?
O31 Yb1 O11 C11 -179.3(6) . . . . ?
N2 Yb1 O11 C11 121.3(6) . . . . ?
N203 Yb1 O11 C11 -89.4(7) . . . . ?
C202 Yb1 O11 C11 62(3) . . . . ?
Yb2 Yb1 O11 C11 152.6(7) . . . . ?
O41 Yb1 O11 Yb2 -112.2(2) . . . . ?
O31 Yb1 O11 Yb2 28.09(16) . . . . ?
N2 Yb1 O11 Yb2 -31.2(3) . . . . ?
N203 Yb1 O11 Yb2 118.0(4) . . . . ?
C202 Yb1 O11 Yb2 -91(3) . . . . ?
Yb2 O11 C11 C12 55.6(8) . . . . ?
Yb1 O11 C11 C12 -91.2(8) . . . . ?
Yb2 O11 C11 C16 -123.6(6) . . . . ?
Yb1 O11 C11 C16 89.5(7) . . . . ?
O11 C11 C12 C13 -177.0(6) . . . . ?
C16 C11 C12 C13 2.2(12) . . . . ?
O11 C11 C12 C10 4.6(10) . . . . ?
C16 C11 C12 C10 -176.2(7) . . . . ?
N1 C10 C12 C11 -72.1(9) . . . . ?
N1 C10 C12 C13 109.4(8) . . . . ?
C11 C12 C13 C14 -1.1(11) . . . . ?
C10 C12 C13 C14 177.4(6) . . . . ?
C12 C13 C14 C15 0.2(10) . . . . ?
C12 C13 C14 C141 178.7(6) . . . . ?
C15 C14 C141 C144 128.2(8) . . . . ?
C13 C14 C141 C144 -50.0(7) . . . . ?
C15 C14 C141 C142 -105.9(9) . . . . ?
C13 C14 C141 C142 75.9(8) . . . . ?
C15 C14 C141 C143 11.2(10) . . . . ?
C13 C14 C141 C143 -167.0(6) . . . . ?
C142 C141 C144 C145 169.3(7) . . . . ?
C14 C141 C144 C145 -65.8(8) . . . . ?
C143 C141 C144 C145 53.3(9) . . . . ?
C13 C14 C15 C16 -0.7(14) . . . . ?
C141 C14 C15 C16 -178.9(8) . . . . ?
C14 C15 C16 C11 1.8(14) . . . . ?
C14 C15 C16 C161 177.9(9) . . . . ?
O11 C11 C16 C15 176.8(7) . . . . ?
C12 C11 C16 C15 -2.4(11) . . . . ?
O11 C11 C16 C161 0.6(12) . . . . ?
C12 C11 C16 C161 -178.6(8) . . . . ?
C15 C16 C161 C164 133.1(9) . . . . ?
C11 C16 C161 C164 -51.0(12) . . . . ?
C15 C16 C161 C162 -106.1(10) . . . . ?
C11 C16 C161 C162 69.8(9) . . . . ?
C15 C16 C161 C163 14.0(13) . . . . ?
C11 C16 C161 C163 -170.1(8) . . . . ?
C162 C161 C164 C165 -169.6(9) . . . . ?
C163 C161 C164 C165 73.5(12) . . . . ?
C16 C161 C164 C165 -48.8(11) . . . . ?
C20' N1 C20 C22 -130(3) . . . . ?
C10 N1 C20 C22 -171.5(7) . . . . ?
C101 N1 C20 C22 67.8(8) . . . . ?
Yb2 N1 C20 C22 -48.4(8) . . . . ?
C10 N1 C20' C22' 178.4(8) . . . . ?
C101 N1 C20' C22' 57.1(11) . . . . ?
C20 N1 C20' C22' 36.3(19) . . . . ?
Yb2 N1 C20' C22' -68.5(8) . . . . ?
O11 Yb2 O21 C21 126.5(3) . . . . ?
O31 Yb2 O21 C21 -167.3(3) . . . . ?
N1 Yb2 O21 C21 60.6(3) . . . . ?
N103 Yb2 O21 C21 -6.1(3) . . . . ?
C21' Yb2 O21 C21 11.5(3) . . . . ?
C102 Yb2 O21 C21 21.7(3) . . . . ?
Yb1 Yb2 O21 C21 154.1(3) . . . . ?
O11 Yb2 O21 C21' 115.0(3) . . . . ?
O31 Yb2 O21 C21' -178.7(3) . . . . ?
N1 Yb2 O21 C21' 49.2(3) . . . . ?
N103 Yb2 O21 C21' -17.6(3) . . . . ?
C21 Yb2 O21 C21' -11.5(3) . . . . ?
C102 Yb2 O21 C21' 10.2(3) . . . . ?
Yb1 Yb2 O21 C21' 142.6(3) . . . . ?
C21' O21 C21 C22 58.2(12) . . . . ?
Yb2 O21 C21 C22 -66.8(2) . . . . ?
C21' O21 C21 C26 -120.9(13) . . . . ?
Yb2 O21 C21 C26 114.1(3) . . . . ?
C21' O21 C21 Yb2 125.0(12) . . . . ?
O11 Yb2 C21 O21 -74.3(4) . . . . ?
O31 Yb2 C21 O21 13.7(3) . . . . ?
N1 Yb2 C21 O21 -113.5(3) . . . . ?
N103 Yb2 C21 O21 174.3(3) . . . . ?
C21' Yb2 C21 O21 -60.7(19) . . . . ?
C102 Yb2 C21 O21 -159.7(3) . . . . ?
Yb1 Yb2 C21 O21 -29.5(3) . . . . ?
O21 Yb2 C21 C22 127.2(4) . . . . ?
O11 Yb2 C21 C22 53.0(3) . . . . ?
O31 Yb2 C21 C22 140.9(3) . . . . ?
N1 Yb2 C21 C22 13.7(3) . . . . ?
N103 Yb2 C21 C22 -58.5(3) . . . . ?
C21' Yb2 C21 C22 66.6(19) . . . . ?
C102 Yb2 C21 C22 -32.5(3) . . . . ?
Yb1 Yb2 C21 C22 97.7(3) . . . . ?
O21 Yb2 C21 C26 -95.7(5) . . . . ?
O11 Yb2 C21 C26 -170.0(3) . . . . ?
O31 Yb2 C21 C26 -82.0(4) . . . . ?
N1 Yb2 C21 C26 150.8(4) . . . . ?
N103 Yb2 C21 C26 78.6(4) . . . . ?
C21' Yb2 C21 C26 -156(2) . . . . ?
C102 Yb2 C21 C26 104.6(4) . . . . ?
Yb1 Yb2 C21 C26 -125.2(3) . . . . ?
O21 C21 C22 C23 -179.2(3) . . . . ?
C26 C21 C22 C23 0.0(4) . . . . ?
Yb2 C21 C22 C23 143.3(3) . . . . ?
O21 C21 C22 C20 -7.8(5) . . . . ?
C26 C21 C22 C20 171.4(5) . . . . ?
Yb2 C21 C22 C20 -45.3(5) . . . . ?
N1 C20 C22 C21 69.9(7) . . . . ?
N1 C20 C22 C23 -118.4(7) . . . . ?
C21 C22 C23 C24 -0.9(5) . . . . ?
C20 C22 C23 C24 -172.0(6) . . . . ?
C22 C23 C24 C25 0.7(6) . . . . ?
C22 C23 C24 C241 -176.7(3) . . . . ?
C23 C24 C25 C26 0.4(7) . . . . ?
C241 C24 C25 C26 177.6(4) . . . . ?
C24 C25 C26 C21 -1.4(7) . . . . ?
C24 C25 C26 C261 169.8(5) . . . . ?
O21 C21 C26 C25 -179.8(3) . . . . ?
C22 C21 C26 C25 1.1(5) . . . . ?
Yb2 C21 C26 C25 -130.1(4) . . . . ?
O21 C21 C26 C261 9.2(4) . . . . ?
C22 C21 C26 C261 -169.9(4) . . . . ?
Yb2 C21 C26 C261 58.9(5) . . . . ?
C23 C24 C241 C244 -59.0(7) . . . . ?
C25 C24 C241 C244 123.9(6) . . . . ?
C23 C24 C241 C243 173.6(4) . . . . ?
C25 C24 C241 C243 -3.5(6) . . . . ?
C23 C24 C241 C242 58.8(6) . . . . ?
C25 C24 C241 C242 -118.4(6) . . . . ?
C243 C241 C244 C245 56.5(9) . . . . ?
C24 C241 C244 C245 -69.1(9) . . . . ?
C242 C241 C244 C245 174.0(8) . . . . ?
C25 C26 C261 C262 8.7(6) . . . . ?
C21 C26 C261 C262 179.6(4) . . . . ?
C25 C26 C261 C264 129.4(5) . . . . ?
C21 C26 C261 C264 -59.6(6) . . . . ?
C25 C26 C261 C263 -111.5(6) . . . . ?
C21 C26 C261 C263 59.4(6) . . . . ?
C262 C261 C264 C265 59.4(13) . . . . ?
C26 C261 C264 C265 -61.1(12) . . . . ?
C263 C261 C264 C265 179.2(12) . . . . ?
C21 O21 C21' C22' -122.1(13) . . . . ?
Yb2 O21 C21' C22' -61.3(3) . . . . ?
C21 O21 C21' C26' 56.9(12) . . . . ?
Yb2 O21 C21' C26' 117.7(3) . . . . ?
C21 O21 C21' Yb2 -60.8(13) . . . . ?
O11 Yb2 C21' O21 -83.8(4) . . . . ?
O31 Yb2 C21' O21 1.3(3) . . . . ?
N1 Yb2 C21' O21 -125.8(3) . . . . ?
N103 Yb2 C21' O21 163.5(3) . . . . ?
C21 Yb2 C21' O21 109(2) . . . . ?
C102 Yb2 C21' O21 -170.5(3) . . . . ?
Yb1 Yb2 C21' O21 -41.4(3) . . . . ?
O21 Yb2 C21' C22' 127.3(4) . . . . ?
O11 Yb2 C21' C22' 43.5(4) . . . . ?
O31 Yb2 C21' C22' 128.6(3) . . . . ?
N1 Yb2 C21' C22' 1.6(3) . . . . ?
N103 Yb2 C21' C22' -69.1(3) . . . . ?
C21 Yb2 C21' C22' -124(2) . . . . ?
C102 Yb2 C21' C22' -43.1(3) . . . . ?
Yb1 Yb2 C21' C22' 85.9(3) . . . . ?
O21 Yb2 C21' C26' -92.3(6) . . . . ?
O11 Yb2 C21' C26' -176.1(4) . . . . ?
O31 Yb2 C21' C26' -91.0(5) . . . . ?
N1 Yb2 C21' C26' 141.9(5) . . . . ?
N103 Yb2 C21' C26' 71.3(5) . . . . ?
C21 Yb2 C21' C26' 16.3(17) . . . . ?
C102 Yb2 C21' C26' 97.3(5) . . . . ?
Yb1 Yb2 C21' C26' -133.7(5) . . . . ?
O21 C21' C22' C23' 179.8(4) . . . . ?
C26' C21' C22' C23' 0.7(5) . . . . ?
Yb2 C21' C22' C23' 148.3(4) . . . . ?
O21 C21' C22' C20' -3.0(6) . . . . ?
C26' C21' C22' C20' 178.0(5) . . . . ?
Yb2 C21' C22' C20' -34.5(5) . . . . ?
N1 C20' C22' C23' -105.2(9) . . . . ?
N1 C20' C22' C21' 77.6(9) . . . . ?
C21' C22' C23' C24' 1.6(8) . . . . ?
C20' C22' C23' C24' -175.5(6) . . . . ?
C22' C23' C24' C25' -3.0(9) . . . . ?
C22' C23' C24' C246 -179.9(5) . . . . ?
C23' C24' C25' C26' 2.2(9) . . . . ?
C246 C24' C25' C26' 179.1(5) . . . . ?
C24' C25' C26' C21' 0.0(8) . . . . ?
C24' C25' C26' C266 -168.8(5) . . . . ?
O21 C21' C26' C25' 179.6(4) . . . . ?
C22' C21' C26' C25' -1.4(6) . . . . ?
Yb2 C21' C26' C25' -134.3(5) . . . . ?
O21 C21' C26' C266 -12.3(5) . . . . ?
C22' C21' C26' C266 166.6(4) . . . . ?
Yb2 C21' C26' C266 33.8(7) . . . . ?
C23' C24' C246 C249 122.2(7) . . . . ?
C25' C24' C246 C249 -54.6(8) . . . . ?
C23' C24' C246 C247 0.8(7) . . . . ?
C25' C24' C246 C247 -175.9(5) . . . . ?
C23' C24' C246 C248 -118.0(7) . . . . ?
C25' C24' C246 C248 65.2(7) . . . . ?
C247 C246 C249 C240 77.8(11) . . . . ?
C24' C246 C249 C240 -44.5(12) . . . . ?
C248 C246 C249 C240 -164.2(10) . . . . ?
C25' C26' C266 C267 -31.3(7) . . . . ?
C21' C26' C266 C267 160.6(5) . . . . ?
C25' C26' C266 C268 93.8(7) . . . . ?
C21' C26' C266 C268 -74.3(7) . . . . ?
C25' C26' C266 C269 -142.3(6) . . . . ?
C21' C26' C266 C269 49.6(7) . . . . ?
C267 C266 C269 C260 -72.8(13) . . . . ?
C268 C266 C269 C260 169.6(11) . . . . ?
C26' C266 C269 C260 45.2(13) . . . . ?
O41 Yb1 N2 C201 -100.7(5) . . . . ?
O31 Yb1 N2 C201 114.6(5) . . . . ?
O11 Yb1 N2 C201 171.1(4) . . . . ?
N203 Yb1 N2 C201 4.3(4) . . . . ?
C202 Yb1 N2 C201 -13.5(4) . . . . ?
Yb2 Yb1 N2 C201 151.8(4) . . . . ?
O41 Yb1 N2 C30 134.5(4) . . . . ?
O31 Yb1 N2 C30 -10.2(4) . . . . ?
O11 Yb1 N2 C30 46.2(5) . . . . ?
N203 Yb1 N2 C30 -120.5(4) . . . . ?
C202 Yb1 N2 C30 -138.4(5) . . . . ?
Yb2 Yb1 N2 C30 27.0(4) . . . . ?
O41 Yb1 N2 C40 20.3(4) . . . . ?
O31 Yb1 N2 C40 -124.4(4) . . . . ?
O11 Yb1 N2 C40 -67.9(4) . . . . ?
N203 Yb1 N2 C40 125.3(4) . . . . ?
C202 Yb1 N2 C40 107.5(5) . . . . ?
Yb2 Yb1 N2 C40 -87.2(3) . . . . ?
C30 N2 C201 C202 149.5(6) . . . . ?
C40 N2 C201 C202 -94.4(7) . . . . ?
Yb1 N2 C201 C202 25.4(7) . . . . ?
C30 N2 C201 C206 90.5(6) . . . . ?
C40 N2 C201 C206 -153.4(6) . . . . ?
Yb1 N2 C201 C206 -33.7(7) . . . . ?
N2 C201 C202 N203 -63.2(9) . . . . ?
C206 C201 C202 N203 37.6(6) . . . . ?
N2 C201 C202 Yb1 -18.8(5) . . . . ?
C206 C201 C202 Yb1 81.9(4) . . . . ?
O41 Yb1 C202 C201 97.8(5) . . . . ?
O31 Yb1 C202 C201 -41.6(5) . . . . ?
O11 Yb1 C202 C201 76(3) . . . . ?
N2 Yb1 C202 C201 13.5(4) . . . . ?
N203 Yb1 C202 C201 -129.1(8) . . . . ?
Yb2 Yb1 C202 C201 -9.8(6) . . . . ?
O41 Yb1 C202 N203 -133.1(5) . . . . ?
O31 Yb1 C202 N203 87.6(4) . . . . ?
O11 Yb1 C202 N203 -155(3) . . . . ?
N2 Yb1 C202 N203 142.7(6) . . . . ?
Yb2 Yb1 C202 N203 119.3(4) . . . . ?
C201 C202 N203 C206 -41.6(8) . . . . ?
Yb1 C202 N203 C206 -101.2(6) . . . . ?
C201 C202 N203 C207 167.5(10) . . . . ?
Yb1 C202 N203 C207 107.9(6) . . . . ?
C201 C202 N203 C204 -61.4(10) . . . . ?
Yb1 C202 N203 C204 -121.1(7) . . . . ?
C201 C202 N203 C205 177.1(8) . . . . ?
Yb1 C202 N203 C205 117.4(7) . . . . ?
C201 C202 N203 C208 -103.5(14) . . . . ?
Yb1 C202 N203 C208 -163.1(15) . . . . ?
C201 C202 N203 Yb1 59.7(7) . . . . ?
O41 Yb1 N203 C206 102.1(4) . . . . ?
O31 Yb1 N203 C206 -46.8(4) . . . . ?
O11 Yb1 N203 C206 -129.1(5) . . . . ?
N2 Yb1 N203 C206 26.7(4) . . . . ?
C202 Yb1 N203 C206 54.8(5) . . . . ?
Yb2 Yb1 N203 C206 -45.4(5) . . . . ?
O41 Yb1 N203 C207 -21.3(5) . . . . ?
O31 Yb1 N203 C207 -170.3(5) . . . . ?
O11 Yb1 N203 C207 107.4(6) . . . . ?
N2 Yb1 N203 C207 -96.8(5) . . . . ?
C202 Yb1 N203 C207 -68.6(6) . . . . ?
Yb2 Yb1 N203 C207 -168.9(4) . . . . ?
O41 Yb1 N203 C204 162.9(5) . . . . ?
O31 Yb1 N203 C204 14.0(5) . . . . ?
O11 Yb1 N203 C204 -68.3(7) . . . . ?
N2 Yb1 N203 C204 87.5(5) . . . . ?
C202 Yb1 N203 C204 115.6(7) . . . . ?
Yb2 Yb1 N203 C204 15.4(6) . . . . ?
O41 Yb1 N203 C205 -65.2(5) . . . . ?
O31 Yb1 N203 C205 145.9(5) . . . . ?
O11 Yb1 N203 C205 63.6(7) . . . . ?
N2 Yb1 N203 C205 -140.6(5) . . . . ?
C202 Yb1 N203 C205 -112.5(7) . . . . ?
Yb2 Yb1 N203 C205 147.3(4) . . . . ?
O41 Yb1 N203 C208 -140.9(5) . . . . ?
O31 Yb1 N203 C208 70.1(5) . . . . ?
O11 Yb1 N203 C208 -12.2(8) . . . . ?
N2 Yb1 N203 C208 143.6(6) . . . . ?
C202 Yb1 N203 C208 171.8(8) . . . . ?
Yb2 Yb1 N203 C208 71.5(6) . . . . ?
O41 Yb1 N203 C202 47.3(5) . . . . ?
O31 Yb1 N203 C202 -101.7(5) . . . . ?
O11 Yb1 N203 C202 176.0(5) . . . . ?
N2 Yb1 N203 C202 -28.2(4) . . . . ?
Yb2 Yb1 N203 C202 -100.3(5) . . . . ?
C207 N203 C206 C201 64.1(10) . . . . ?
C204 N203 C206 C201 -167.9(9) . . . . ?
C205 N203 C206 C201 106.0(11) . . . . ?
C208 N203 C206 C201 -171.6(6) . . . . ?
C202 N203 C206 C201 34.3(6) . . . . ?
Yb1 N203 C206 C201 -55.3(6) . . . . ?
C202 C201 C206 N203 -38.5(6) . . . . ?
N2 C201 C206 N203 64.7(8) . . . . ?
C201 N2 C30 C32 -63.9(5) . . . . ?
C40 N2 C30 C32 176.4(4) . . . . ?
Yb1 N2 C30 C32 59.7(5) . . . . ?
O41 Yb1 O31 C31 -106.2(4) . . . . ?
O11 Yb1 O31 C31 176.5(4) . . . . ?
N2 Yb1 O31 C31 -45.4(4) . . . . ?
N203 Yb1 O31 C31 22.8(4) . . . . ?
C202 Yb1 O31 C31 -7.2(4) . . . . ?
Yb2 Yb1 O31 C31 -156.0(5) . . . . ?
O41 Yb1 O31 Yb2 49.8(2) . . . . ?
O11 Yb1 O31 Yb2 -27.55(15) . . . . ?
N2 Yb1 O31 Yb2 110.57(16) . . . . ?
N203 Yb1 O31 Yb2 178.77(13) . . . . ?
C202 Yb1 O31 Yb2 148.76(16) . . . . ?
O21 Yb2 O31 C31 47.8(4) . . . . ?
O11 Yb2 O31 C31 -178.9(5) . . . . ?
N1 Yb2 O31 C31 122.2(5) . . . . ?
N103 Yb2 O31 C31 -90.2(6) . . . . ?
C21 Yb2 O31 C31 42.6(5) . . . . ?
C21' Yb2 O31 C31 47.3(5) . . . . ?
C102 Yb2 O31 C31 -155.6(5) . . . . ?
Yb1 Yb2 O31 C31 153.2(5) . . . . ?
O21 Yb2 O31 Yb1 -105.47(12) . . . . ?
O11 Yb2 O31 Yb1 27.89(14) . . . . ?
N1 Yb2 O31 Yb1 -31.0(2) . . . . ?
N103 Yb2 O31 Yb1 116.5(4) . . . . ?
C21 Yb2 O31 Yb1 -110.60(12) . . . . ?
C21' Yb2 O31 Yb1 -105.94(13) . . . . ?
C102 Yb2 O31 Yb1 51.1(5) . . . . ?
Yb1 O31 C31 C32 55.0(7) . . . . ?
Yb2 O31 C31 C32 -93.0(7) . . . . ?
Yb1 O31 C31 C36 -124.0(6) . . . . ?
Yb2 O31 C31 C36 88.0(7) . . . . ?
O31 C31 C32 C33 179.4(6) . . . . ?
C36 C31 C32 C33 -1.7(11) . . . . ?
O31 C31 C32 C30 7.2(10) . . . . ?
C36 C31 C32 C30 -173.9(6) . . . . ?
N2 C30 C32 C31 -72.2(8) . . . . ?
N2 C30 C32 C33 115.7(7) . . . . ?
C31 C32 C33 C34 2.3(11) . . . . ?
C30 C32 C33 C34 174.8(7) . . . . ?
C32 C33 C34 C35 -0.2(11) . . . . ?
C32 C33 C34 C341 173.8(6) . . . . ?
C33 C34 C341 C343 135.1(7) . . . . ?
C35 C34 C341 C343 -51.6(8) . . . . ?
C33 C34 C341 C342 13.5(9) . . . . ?
C35 C34 C341 C342 -173.2(7) . . . . ?
C33 C34 C341 C344 -106.5(7) . . . . ?
C35 C34 C341 C344 66.9(8) . . . . ?
C343 C341 C344 C345 179.6(7) . . . . ?
C342 C341 C344 C345 -61.8(9) . . . . ?
C34 C341 C344 C345 59.5(8) . . . . ?
C33 C34 C35 C36 -2.8(11) . . . . ?
C341 C34 C35 C36 -176.7(7) . . . . ?
C34 C35 C36 C31 3.3(11) . . . . ?
C34 C35 C36 C361 178.2(7) . . . . ?
O31 C31 C36 C35 178.0(6) . . . . ?
C32 C31 C36 C35 -0.8(10) . . . . ?
O31 C31 C36 C361 3.1(10) . . . . ?
C32 C31 C36 C361 -175.7(6) . . . . ?
C35 C36 C361 C364 135.7(7) . . . . ?
C31 C36 C361 C364 -49.8(8) . . . . ?
C35 C36 C361 C362 -103.0(8) . . . . ?
C31 C36 C361 C362 71.5(7) . . . . ?
C35 C36 C361 C363 17.2(8) . . . . ?
C31 C36 C361 C363 -168.3(6) . . . . ?
C362 C361 C364 C365 -173.2(7) . . . . ?
C363 C361 C364 C365 65.9(8) . . . . ?
C36 C361 C364 C365 -53.2(8) . . . . ?
C201 N2 C40 C42 55.3(6) . . . . ?
C30 N2 C40 C42 176.2(4) . . . . ?
Yb1 N2 C40 C42 -65.4(5) . . . . ?
O31 Yb1 O41 C41 91.9(7) . . . . ?
O11 Yb1 O41 C41 161.1(7) . . . . ?
N2 Yb1 O41 C41 31.2(6) . . . . ?
N203 Yb1 O41 C41 -38.4(7) . . . . ?
C202 Yb1 O41 C41 -17.4(7) . . . . ?
Yb2 Yb1 O41 C41 123.1(6) . . . . ?
Yb1 O41 C41 C42 -40.7(10) . . . . ?
Yb1 O41 C41 C46 135.1(7) . . . . ?
O41 C41 C42 C43 174.7(7) . . . . ?
C46 C41 C42 C43 -1.2(13) . . . . ?
O41 C41 C42 C40 -12.5(11) . . . . ?
C46 C41 C42 C40 171.6(8) . . . . ?
N2 C40 C42 C43 -116.0(7) . . . . ?
N2 C40 C42 C41 71.1(8) . . . . ?
C41 C42 C43 C44 0.5(13) . . . . ?
C40 C42 C43 C44 -172.3(7) . . . . ?
C42 C43 C44 C45 1.4(13) . . . . ?
C42 C43 C44 C441 -177.5(7) . . . . ?
C45 C44 C441 C447 10.9(10) . . . . ?
C43 C44 C441 C447 -170.2(8) . . . . ?
C45 C44 C441 C444 -51.1(9) . . . . ?
C43 C44 C441 C444 127.7(8) . . . . ?
C45 C44 C441 C446 134.4(8) . . . . ?
C43 C44 C441 C446 -46.8(9) . . . . ?
C45 C44 C441 C443 -171.9(8) . . . . ?
C43 C44 C441 C443 6.9(9) . . . . ?
C45 C44 C441 C442 69.4(9) . . . . ?
C43 C44 C441 C442 -111.8(8) . . . . ?
C45 C44 C441 C448 -107.7(9) . . . . ?
C43 C44 C441 C448 71.1(8) . . . . ?
C447 C441 C444 C445 -166.3(9) . . . . ?
C446 C441 C444 C445 108.7(11) . . . . ?
C443 C441 C444 C445 57.5(9) . . . . ?
C442 C441 C444 C445 179.3(8) . . . . ?
C448 C441 C444 C445 34.3(8) . . . . ?
C44 C441 C444 C445 -62.8(9) . . . . ?
C447 C441 C448 C449 -62.5(19) . . . . ?
C444 C441 C448 C449 -44.1(18) . . . . ?
C446 C441 C448 C449 174.6(19) . . . . ?
C443 C441 C448 C449 161(2) . . . . ?
C442 C441 C448 C449 -118(2) . . . . ?
C44 C441 C448 C449 56.9(19) . . . . ?
C43 C44 C45 C46 -2.9(15) . . . . ?
C441 C44 C45 C46 176.0(9) . . . . ?
O41 C41 C46 C45 -175.9(9) . . . . ?
C42 C41 C46 C45 -0.1(14) . . . . ?
O41 C41 C46 C461 8.8(15) . . . . ?
C42 C41 C46 C461 -175.5(9) . . . . ?
C44 C45 C46 C41 2.3(17) . . . . ?
C44 C45 C46 C461 177.7(10) . . . . ?
C41 C46 C461 C464 -72.4(13) . . . . ?
C45 C46 C461 C464 112.5(12) . . . . ?
C41 C46 C461 C463 44.6(15) . . . . ?
C45 C46 C461 C463 -130.5(11) . . . . ?
C41 C46 C461 C462 164.4(10) . . . . ?
C45 C46 C461 C462 -10.7(17) . . . . ?
C46 C461 C464 C465 -68.7(12) . . . . ?
C463 C461 C464 C465 170.1(9) . . . . ?
C462 C461 C464 C465 54.7(12) . . . . ?
