#------------------------------------------------------------------------------
#$Date: 2016-03-26 16:36:20 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180345 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/14/7201424.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_7201424
loop_
_publ_author_name
'Zhou, Jie'
'Yan, Shaohua'
'Yuan, Daqiang'
'Zheng, Xiangjun'
'Li, Licun'
'Jin, Linpei'
_publ_section_title
;
 Structural diversity of lanthanide coordination polymers with
 2,2′-biquinoline-4,4′-dicarboxylate
;
_journal_issue                   12
_journal_name_full               CrystEngComm
_journal_page_first              2640
_journal_paper_doi               10.1039/b911100j
_journal_volume                  11
_journal_year                    2009
_chemical_formula_moiety         'C40 H26 N4 O12 Yb2, 2(H2 O)'
_chemical_formula_sum            'C40 H30 N4 O14 Yb2'
_chemical_formula_weight         1136.76
_chemical_name_systematic
;
?
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 95.47(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.145(4)
_cell_length_b                   8.6821(17)
_cell_length_c                   23.527(5)
_cell_measurement_reflns_used    10517
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      33.1404
_cell_measurement_theta_min      1.7390
_cell_volume                     3689.5(14)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      294(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       dtprofit.ref
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1017
_diffrn_reflns_av_sigmaI/netI    0.0713
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            23253
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.50
_exptl_absorpt_coefficient_mu    5.119
_exptl_absorpt_correction_T_max  0.8214
_exptl_absorpt_correction_T_min  0.6849
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    2.047
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             2200
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.339
_refine_diff_density_min         -1.410
_refine_diff_density_rms         0.197
_refine_ls_extinction_coef       0.00398(15)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.116
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     542
_refine_ls_number_reflns         7178
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.118
_refine_ls_R_factor_all          0.0387
_refine_ls_R_factor_gt           0.0369
_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)+(0.0414P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0943
_refine_ls_wR_factor_ref         0.0962
_reflns_number_gt                6772
_reflns_number_total             7178
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b911100j.txt
_cod_data_source_block           Yb
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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        3689.4(13)
_cod_original_sg_symbol_H-M      P2/n
_cod_database_code               7201424
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, 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 0.149390(9) 0.41166(2) 0.751202(7) 0.01469(9) Uani 1 1 d . . .
Yb2 Yb 0.240778(9) 0.71882(2) 0.670269(8) 0.01919(9) Uani 1 1 d . . .
O1 O 0.13111(17) 0.6413(4) 0.62297(14) 0.0264(7) Uani 1 1 d . . .
O2 O 0.07119(17) 0.4883(4) 0.67763(14) 0.0271(7) Uani 1 1 d . . .
O3 O -0.17002(17) 0.8177(4) 0.29134(14) 0.0265(7) Uani 1 1 d . . .
O4 O -0.1747(2) 1.0653(4) 0.31080(18) 0.0435(10) Uani 1 1 d . . .
O5 O 0.34161(19) 0.6413(5) 0.62262(16) 0.0392(9) Uani 1 1 d . . .
O6 O 0.42226(19) 0.5482(4) 0.69049(16) 0.0336(8) Uani 1 1 d . . .
O7 O 0.63302(17) 0.7523(4) 0.33066(14) 0.0268(7) Uani 1 1 d . . .
O8 O 0.53832(18) 0.7371(4) 0.26471(15) 0.0281(8) Uani 1 1 d . . .
O9 O 0.17948(15) 0.6756(3) 0.74921(12) 0.0171(6) Uani 1 1 d . . .
H9B H 0.1410 0.7315 0.7490 0.021 Uiso 1 1 d R . .
O10 O 0.25653(15) 0.4539(4) 0.80886(14) 0.0185(6) Uani 1 1 d . . .
H10A H 0.2605 0.3974 0.8385 0.022 Uiso 1 1 d R . .
O11 O 0.2245(2) 0.8268(6) 0.57777(17) 0.0543(13) Uani 1 1 d . . .
H11A H 0.2617 0.8825 0.5723 0.065 Uiso 1 1 d R . .
H11B H 0.1873 0.8119 0.5537 0.065 Uiso 1 1 d R . .
O12 O 0.3270(3) 0.9310(5) 0.6742(3) 0.0742(18) Uani 1 1 d . . .
H12B H 0.3371 0.9580 0.7088 0.089 Uiso 1 1 d R . .
H12C H 0.3446 0.9723 0.6456 0.089 Uiso 1 1 d R . .
O13 O -0.2572(3) 0.6646(10) 0.4357(3) 0.121(3) Uani 1 1 d . . .
H13A H -0.2952 0.6073 0.4282 0.145 Uiso 1 1 d R . .
H13B H -0.2461 0.6635 0.4716 0.145 Uiso 1 1 d R . .
O14 O 0.3237(4) 1.0096(9) 0.5358(3) 0.111(3) Uani 1 1 d . . .
H14A H 0.3686 1.0247 0.5296 0.133 Uiso 1 1 d R . .
H14B H 0.2966 1.0814 0.5208 0.133 Uiso 1 1 d R . .
N1 N -0.1086(2) 0.6094(4) 0.50244(16) 0.0206(8) Uani 1 1 d . . .
N2 N 0.0249(2) 0.8755(5) 0.45672(17) 0.0233(8) Uani 1 1 d . . .
N3 N 0.5778(2) 0.7053(6) 0.53189(19) 0.0364(11) Uani 1 1 d . . .
N4 N 0.4217(2) 0.8632(5) 0.44840(18) 0.0313(10) Uani 1 1 d . . .
C1 C -0.0468(2) 0.6893(5) 0.50239(19) 0.0196(9) Uani 1 1 d . . .
C2 C 0.0126(2) 0.6752(5) 0.5456(2) 0.0210(9) Uani 1 1 d . . .
H2A H 0.0555 0.7323 0.5431 0.025 Uiso 1 1 calc R . .
C3 C 0.0076(2) 0.5793(5) 0.59075(19) 0.0183(9) Uani 1 1 d . . .
C4 C -0.0599(2) 0.4917(5) 0.59365(19) 0.0198(9) Uani 1 1 d . . .
C5 C -0.1142(2) 0.5094(5) 0.5469(2) 0.0209(9) Uani 1 1 d . . .
C6 C -0.1798(3) 0.4177(6) 0.5442(2) 0.0322(12) Uani 1 1 d . . .
H6A H -0.2148 0.4247 0.5127 0.039 Uiso 1 1 calc R . .
C7 C -0.1909(3) 0.3200(7) 0.5877(3) 0.0382(13) Uani 1 1 d . . .
H7A H -0.2339 0.2610 0.5857 0.046 Uiso 1 1 calc R . .
C8 C -0.1392(3) 0.3062(6) 0.6354(2) 0.0345(12) Uani 1 1 d . . .
H8A H -0.1486 0.2403 0.6650 0.041 Uiso 1 1 calc R . .
C9 C -0.0741(3) 0.3902(6) 0.6388(2) 0.0274(11) Uani 1 1 d . . .
H9A H -0.0397 0.3802 0.6705 0.033 Uiso 1 1 calc R . .
C10 C 0.0746(2) 0.5665(5) 0.63410(19) 0.0190(9) Uani 1 1 d . . .
C11 C -0.0383(2) 0.7991(5) 0.45464(19) 0.0204(9) Uani 1 1 d . . .
C12 C -0.0946(2) 0.8134(5) 0.4092(2) 0.0228(10) Uani 1 1 d . . .
H12A H -0.1375 0.7549 0.4091 0.027 Uiso 1 1 calc R . .
C13 C -0.0860(2) 0.9134(5) 0.36549(19) 0.0200(9) Uani 1 1 d . . .
C14 C -0.0185(2) 0.9980(5) 0.3660(2) 0.0217(9) Uani 1 1 d . . .
C15 C 0.0359(2) 0.9736(5) 0.4126(2) 0.0226(10) Uani 1 1 d . . .
C16 C 0.1039(3) 1.0540(6) 0.4152(2) 0.0315(11) Uani 1 1 d . . .
H16A H 0.1394 1.0388 0.4459 0.038 Uiso 1 1 calc R . .
C17 C 0.1175(3) 1.1535(6) 0.3728(3) 0.0373(13) Uani 1 1 d . . .
H17A H 0.1621 1.2068 0.3748 0.045 Uiso 1 1 calc R . .
C18 C 0.0642(3) 1.1763(7) 0.3260(2) 0.0382(13) Uani 1 1 d . . .
H18A H 0.0741 1.2452 0.2975 0.046 Uiso 1 1 calc R . .
C19 C -0.0010(3) 1.0999(6) 0.3219(2) 0.0317(12) Uani 1 1 d . . .
H19A H -0.0347 1.1141 0.2899 0.038 Uiso 1 1 calc R . .
C20 C -0.1476(3) 0.9333(5) 0.31905(19) 0.0207(9) Uani 1 1 d . . .
C21 C 0.5074(3) 0.7316(6) 0.5168(2) 0.0308(11) Uani 1 1 d . . .
C22 C 0.4516(3) 0.7023(6) 0.5539(2) 0.0303(11) Uani 1 1 d . . .
H22A H 0.4023 0.7227 0.5418 0.036 Uiso 1 1 calc R . .
C23 C 0.4697(3) 0.6456(6) 0.6064(2) 0.0262(10) Uani 1 1 d . . .
C24 C 0.5464(3) 0.6168(6) 0.6255(2) 0.0289(11) Uani 1 1 d . . .
C25 C 0.5980(3) 0.6476(7) 0.5847(2) 0.0363(13) Uani 1 1 d . . .
C26 C 0.6741(3) 0.6204(9) 0.5988(3) 0.0528(18) Uani 1 1 d . . .
H26A H 0.7077 0.6400 0.5723 0.063 Uiso 1 1 calc R . .
C27 C 0.6981(3) 0.5651(9) 0.6517(3) 0.0553(18) Uani 1 1 d . . .
H27A H 0.7484 0.5480 0.6612 0.066 Uiso 1 1 calc R . .
C28 C 0.6480(3) 0.5342(8) 0.6915(3) 0.0512(16) Uani 1 1 d . . .
H28A H 0.6652 0.4953 0.7271 0.061 Uiso 1 1 calc R . .
C29 C 0.5741(3) 0.5600(7) 0.6791(3) 0.0405(14) Uani 1 1 d . . .
H29A H 0.5417 0.5397 0.7066 0.049 Uiso 1 1 calc R . .
C30 C 0.4070(3) 0.6081(5) 0.6432(2) 0.0243(10) Uani 1 1 d . . .
C31 C 0.4868(3) 0.7905(6) 0.4583(2) 0.0299(11) Uani 1 1 d . . .
C32 C 0.5344(3) 0.7657(6) 0.4148(2) 0.0266(11) Uani 1 1 d . . .
H32A H 0.5802 0.7195 0.4238 0.032 Uiso 1 1 calc R . .
C33 C 0.5138(2) 0.8088(5) 0.3598(2) 0.0230(10) Uani 1 1 d . . .
C34 C 0.4437(3) 0.8816(6) 0.3475(2) 0.0275(11) Uani 1 1 d . . .
C35 C 0.4009(3) 0.9083(6) 0.3944(2) 0.0307(12) Uani 1 1 d . . .
C36 C 0.3317(3) 0.9835(7) 0.3846(3) 0.0428(14) Uani 1 1 d . . .
H36A H 0.3035 1.0018 0.4148 0.051 Uiso 1 1 calc R . .
C37 C 0.3065(3) 1.0290(10) 0.3309(3) 0.063(2) Uani 1 1 d . . .
H37A H 0.2612 1.0793 0.3249 0.075 Uiso 1 1 calc R . .
C38 C 0.3483(4) 1.0008(10) 0.2842(3) 0.066(2) Uani 1 1 d U . .
H38A H 0.3297 1.0304 0.2476 0.079 Uiso 1 1 calc R . .
C39 C 0.4150(3) 0.9311(8) 0.2926(3) 0.0475(16) Uani 1 1 d . . .
H39A H 0.4425 0.9155 0.2617 0.057 Uiso 1 1 calc R . .
C40 C 0.5637(3) 0.7672(5) 0.3150(2) 0.0243(10) Uani 1 1 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'
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
O2 Yb1 O3 92.24(13) . 3_566 ?
O2 Yb1 O10 148.42(12) . . ?
O3 Yb1 O10 103.56(11) 3_566 . ?
O2 Yb1 O6 87.44(13) . 2_556 ?
O3 Yb1 O6 146.84(12) 3_566 2_556 ?
O10 Yb1 O6 93.45(12) . 2_556 ?
O2 Yb1 O10 86.08(11) . 2_556 ?
O3 Yb1 O10 73.27(12) 3_566 2_556 ?
O10 Yb1 O10 72.94(13) . 2_556 ?
O6 Yb1 O10 139.63(12) 2_556 2_556 ?
O2 Yb1 O9 79.98(11) . . ?
O3 Yb1 O9 142.54(11) 3_566 . ?
O10 Yb1 O9 70.81(11) . . ?
O6 Yb1 O9 69.93(12) 2_556 . ?
O10 Yb1 O9 69.70(10) 2_556 . ?
O2 Yb1 O7 131.81(11) . 4_566 ?
O3 Yb1 O7 82.00(12) 3_566 4_566 ?
O10 Yb1 O7 78.11(11) . 4_566 ?
O6 Yb1 O7 73.84(13) 2_556 4_566 ?
O10 Yb1 O7 135.70(11) 2_556 4_566 ?
O9 Yb1 O7 129.84(11) . 4_566 ?
O2 Yb1 O8 77.70(12) . 4_566 ?
O3 Yb1 O8 76.52(12) 3_566 4_566 ?
O10 Yb1 O8 132.24(12) . 4_566 ?
O6 Yb1 O8 71.03(13) 2_556 4_566 ?
O10 Yb1 O8 144.95(11) 2_556 4_566 ?
O9 Yb1 O8 135.47(11) . 4_566 ?
O7 Yb1 O8 54.35(11) 4_566 4_566 ?
O2 Yb1 C40 103.99(14) . 4_566 ?
O3 Yb1 C40 82.59(13) 3_566 4_566 ?
O10 Yb1 C40 105.04(13) . 4_566 ?
O6 Yb1 C40 65.44(14) 2_556 4_566 ?
O10 Yb1 C40 154.25(13) 2_556 4_566 ?
O9 Yb1 C40 134.87(12) . 4_566 ?
O7 Yb1 C40 27.85(13) 4_566 4_566 ?
O8 Yb1 C40 27.25(13) 4_566 4_566 ?
O2 Yb1 Yb1 123.35(8) . 2_556 ?
O3 Yb1 Yb1 77.69(8) 3_566 2_556 ?
O10 Yb1 Yb1 38.49(7) . 2_556 ?
O6 Yb1 Yb1 129.02(9) 2_556 2_556 ?
O10 Yb1 Yb1 37.43(8) 2_556 2_556 ?
O9 Yb1 Yb1 76.48(7) . 2_556 ?
O7 Yb1 Yb1 102.17(8) 4_566 2_556 ?
O8 Yb1 Yb1 147.18(9) 4_566 2_556 ?
C40 Yb1 Yb1 128.83(10) 4_566 2_556 ?
O2 Yb1 Yb2 116.28(9) . 2_556 ?
O3 Yb1 Yb2 138.08(8) 3_566 2_556 ?
O10 Yb1 Yb2 37.44(8) . 2_556 ?
O6 Yb1 Yb2 68.97(9) 2_556 2_556 ?
O10 Yb1 Yb2 78.51(8) 2_556 2_556 ?
O9 Yb1 Yb2 36.63(7) . 2_556 ?
O7 Yb1 Yb2 98.01(9) 4_566 2_556 ?
O8 Yb1 Yb2 136.55(8) 4_566 2_556 ?
C40 Yb1 Yb2 116.06(11) 4_566 2_556 ?
Yb1 Yb1 Yb2 61.220(15) 2_556 2_556 ?
O2 Yb1 Yb2 70.96(8) . . ?
O3 Yb1 Yb2 107.42(9) 3_566 . ?
O10 Yb1 Yb2 78.22(8) . . ?
O6 Yb1 Yb2 103.77(10) 2_556 . ?
O10 Yb1 Yb2 37.02(8) 2_556 . ?
O9 Yb1 Yb2 35.40(7) . . ?
O7 Yb1 Yb2 156.00(8) 4_566 . ?
O8 Yb1 Yb2 148.48(9) 4_566 . ?
C40 Yb1 Yb2 168.67(10) 4_566 . ?
Yb1 Yb1 Yb2 60.141(15) 2_556 . ?
Yb2 Yb1 Yb2 60.010(14) 2_556 . ?
O2 Yb1 H10A 164.2 . . ?
O3 Yb1 H10A 98.6 3_566 . ?
O10 Yb1 H10A 16.6 . . ?
O6 Yb1 H10A 89.6 2_556 . ?
O10 Yb1 H10A 86.2 2_556 . ?
O9 Yb1 H10A 84.5 . . ?
O7 Yb1 H10A 61.6 4_566 . ?
O8 Yb1 H10A 115.9 4_566 . ?
C40 Yb1 H10A 88.8 4_566 . ?
Yb1 Yb1 H10A 49.3 2_556 . ?
Yb2 Yb1 H10A 48.6 2_556 . ?
Yb2 Yb1 H10A 94.8 . . ?
O9 Yb2 O1 83.03(11) . . ?
O9 Yb2 O4 70.86(14) . 3_576 ?
O1 Yb2 O4 83.60(13) . 3_576 ?
O9 Yb2 O9 67.72(11) . 2_556 ?
O1 Yb2 O9 143.31(11) . 2_556 ?
O4 Yb2 O9 105.82(13) 3_576 2_556 ?
O9 Yb2 O5 143.87(12) . . ?
O1 Yb2 O5 111.53(14) . . ?
O4 Yb2 O5 141.04(16) 3_576 . ?
O9 Yb2 O5 83.59(12) 2_556 . ?
O9 Yb2 O10 70.83(11) . 2_556 ?
O1 Yb2 O10 79.24(12) . 2_556 ?
O4 Yb2 O10 139.51(13) 3_576 2_556 ?
O9 Yb2 O10 70.72(11) 2_556 2_556 ?
O5 Yb2 O10 79.44(13) . 2_556 ?
O9 Yb2 O11 141.84(13) . . ?
O1 Yb2 O11 69.03(13) . . ?
O4 Yb2 O11 80.38(16) 3_576 . ?
O9 Yb2 O11 146.75(12) 2_556 . ?
O5 Yb2 O11 72.94(15) . . ?
O10 Yb2 O11 125.37(15) 2_556 . ?
O9 Yb2 O12 117.29(18) . . ?
O1 Yb2 O12 140.75(15) . . ?
O4 Yb2 O12 73.57(18) 3_576 . ?
O9 Yb2 O12 74.85(15) 2_556 . ?
O5 Yb2 O12 72.74(19) . . ?
O10 Yb2 O12 137.59(13) 2_556 . ?
O11 Yb2 O12 75.86(17) . . ?
O9 Yb2 Yb1 75.96(7) . 2_556 ?
O1 Yb2 Yb1 115.56(9) . 2_556 ?
O4 Yb2 Yb1 139.15(10) 3_576 2_556 ?
O9 Yb2 Yb1 37.66(7) 2_556 2_556 ?
O5 Yb2 Yb1 67.91(10) . 2_556 ?
O10 Yb2 Yb1 36.32(7) 2_556 2_556 ?
O11 Yb2 Yb1 139.22(12) . 2_556 ?
O12 Yb2 Yb1 102.36(11) . 2_556 ?
O9 Yb2 Yb2 35.65(7) . 2_556 ?
O1 Yb2 Yb2 118.64(8) . 2_556 ?
O4 Yb2 Yb2 78.64(10) 3_576 2_556 ?
O9 Yb2 Yb2 35.35(7) 2_556 2_556 ?
O5 Yb2 Yb2 118.90(10) . 2_556 ?
O10 Yb2 Yb2 78.01(8) 2_556 2_556 ?
O11 Yb2 Yb2 156.48(13) . 2_556 ?
O12 Yb2 Yb2 88.05(15) . 2_556 ?
Yb1 Yb2 Yb2 60.520(16) 2_556 2_556 ?
O9 Yb2 Yb1 36.70(8) . . ?
O1 Yb2 Yb1 68.39(9) . . ?
O4 Yb2 Yb1 102.59(12) 3_576 . ?
O9 Yb2 Yb1 74.94(7) 2_556 . ?
O5 Yb2 Yb1 116.32(11) . . ?
O10 Yb2 Yb1 36.92(7) 2_556 . ?
O11 Yb2 Yb1 136.63(10) . . ?
O12 Yb2 Yb1 147.06(14) . . ?
Yb1 Yb2 Yb1 58.639(13) 2_556 . ?
Yb2 Yb2 Yb1 59.469(14) 2_556 . ?
O9 Yb2 H9B 17.0 . . ?
O1 Yb2 H9B 74.8 . . ?
O4 Yb2 H9B 55.8 3_576 . ?
O9 Yb2 H9B 81.5 2_556 . ?
O5 Yb2 H9B 160.8 . . ?
O10 Yb2 H9B 84.2 2_556 . ?
O11 Yb2 H9B 125.5 . . ?
O12 Yb2 H9B 114.5 . . ?
Yb1 Yb2 H9B 92.9 2_556 . ?
Yb2 Yb2 H9B 46.8 2_556 . ?
Yb1 Yb2 H9B 47.7 . . ?
C10 O1 Yb2 137.5(3) . . ?
C10 O2 Yb1 136.7(3) . . ?
C20 O3 Yb1 151.3(3) . 3_566 ?
C20 O4 Yb2 157.2(4) . 3_576 ?
C30 O5 Yb2 128.9(3) . . ?
C30 O6 Yb1 131.5(3) . 2_556 ?
C40 O7 Yb1 91.6(3) . 4_665 ?
C40 O8 Yb1 90.0(3) . 4_665 ?
Yb2 O9 Yb2 109.00(11) . 2_556 ?
Yb2 O9 Yb1 107.90(12) . . ?
Yb2 O9 Yb1 105.71(12) 2_556 . ?
Yb2 O9 H9B 111.3 . . ?
Yb2 O9 H9B 111.3 2_556 . ?
Yb1 O9 H9B 111.3 . . ?
Yb1 O10 Yb1 104.09(12) . 2_556 ?
Yb1 O10 Yb2 106.23(12) . 2_556 ?
Yb1 O10 Yb2 106.06(11) 2_556 2_556 ?
Yb1 O10 H10A 113.2 . . ?
Yb1 O10 H10A 113.2 2_556 . ?
Yb2 O10 H10A 113.2 2_556 . ?
Yb2 O11 H11A 109.6 . . ?
Yb2 O11 H11B 125.2 . . ?
H11A O11 H11B 125.2 . . ?
Yb2 O12 H12B 109.1 . . ?
Yb2 O12 H12C 125.7 . . ?
H12B O12 H12C 125.3 . . ?
H13A O13 H13B 107.8 . . ?
H14A O14 H14B 110.0 . . ?
C1 N1 C5 117.3(4) . . ?
C11 N2 C15 118.2(4) . . ?
C21 N3 C25 118.9(4) . . ?
C31 N4 C35 117.6(4) . . ?
N1 C1 C2 122.9(4) . . ?
N1 C1 C11 119.0(4) . . ?
C2 C1 C11 118.1(4) . . ?
C3 C2 C1 120.8(4) . . ?
C3 C2 H2A 119.6 . . ?
C1 C2 H2A 119.6 . . ?
C2 C3 C4 118.6(4) . . ?
C2 C3 C10 117.5(4) . . ?
C4 C3 C10 123.9(4) . . ?
C5 C4 C9 119.1(4) . . ?
C5 C4 C3 115.8(4) . . ?
C9 C4 C3 125.1(4) . . ?
N1 C5 C4 124.5(4) . . ?
N1 C5 C6 116.2(4) . . ?
C4 C5 C6 119.3(4) . . ?
C7 C6 C5 119.8(5) . . ?
C7 C6 H6A 120.1 . . ?
C5 C6 H6A 120.1 . . ?
C6 C7 C8 121.4(5) . . ?
C6 C7 H7A 119.3 . . ?
C8 C7 H7A 119.3 . . ?
C9 C8 C7 120.3(5) . . ?
C9 C8 H8A 119.8 . . ?
C7 C8 H8A 119.8 . . ?
C8 C9 C4 119.9(5) . . ?
C8 C9 H9A 120.0 . . ?
C4 C9 H9A 120.0 . . ?
O2 C10 O1 124.1(4) . . ?
O2 C10 C3 119.8(4) . . ?
O1 C10 C3 116.0(4) . . ?
N2 C11 C12 123.1(4) . . ?
N2 C11 C1 116.4(4) . . ?
C12 C11 C1 120.5(4) . . ?
C13 C12 C11 120.0(4) . . ?
C13 C12 H12A 120.0 . . ?
C11 C12 H12A 120.0 . . ?
C12 C13 C14 118.6(4) . . ?
C12 C13 C20 119.5(4) . . ?
C14 C13 C20 121.8(4) . . ?
C15 C14 C19 118.0(4) . . ?
C15 C14 C13 117.6(4) . . ?
C19 C14 C13 124.3(5) . . ?
N2 C15 C16 117.6(4) . . ?
N2 C15 C14 122.4(4) . . ?
C16 C15 C14 120.0(4) . . ?
C17 C16 C15 120.1(5) . . ?
C17 C16 H16A 120.0 . . ?
C15 C16 H16A 120.0 . . ?
C16 C17 C18 120.2(5) . . ?
C16 C17 H17A 119.9 . . ?
C18 C17 H17A 119.9 . . ?
C19 C18 C17 121.2(5) . . ?
C19 C18 H18A 119.4 . . ?
C17 C18 H18A 119.4 . . ?
C18 C19 C14 120.4(5) . . ?
C18 C19 H19A 119.8 . . ?
C14 C19 H19A 119.8 . . ?
O3 C20 O4 123.5(5) . . ?
O3 C20 C13 118.3(4) . . ?
O4 C20 C13 118.3(4) . . ?
N3 C21 C22 122.2(5) . . ?
N3 C21 C31 117.7(4) . . ?
C22 C21 C31 120.1(5) . . ?
C23 C22 C21 120.4(5) . . ?
C23 C22 H22A 119.8 . . ?
C21 C22 H22A 119.8 . . ?
C22 C23 C24 119.6(4) . . ?
C22 C23 C30 118.0(4) . . ?
C24 C23 C30 122.3(4) . . ?
C29 C24 C25 118.0(5) . . ?
C29 C24 C23 126.4(5) . . ?
C25 C24 C23 115.6(5) . . ?
N3 C25 C26 116.8(5) . . ?
N3 C25 C24 123.2(5) . . ?
C26 C25 C24 120.0(5) . . ?
C27 C26 C25 119.7(6) . . ?
C27 C26 H26A 120.2 . . ?
C25 C26 H26A 120.2 . . ?
C26 C27 C28 120.5(6) . . ?
C26 C27 H27A 119.8 . . ?
C28 C27 H27A 119.8 . . ?
C29 C28 C27 121.2(6) . . ?
C29 C28 H28A 119.4 . . ?
C27 C28 H28A 119.4 . . ?
C28 C29 C24 120.7(5) . . ?
C28 C29 H29A 119.6 . . ?
C24 C29 H29A 119.6 . . ?
O6 C30 O5 124.0(4) . . ?
O6 C30 C23 119.0(4) . . ?
O5 C30 C23 117.0(4) . . ?
N4 C31 C32 122.2(5) . . ?
N4 C31 C21 117.6(4) . . ?
C32 C31 C21 120.1(5) . . ?
C33 C32 C31 120.9(5) . . ?
C33 C32 H32A 119.6 . . ?
C31 C32 H32A 119.6 . . ?
C32 C33 C34 118.2(4) . . ?
C32 C33 C40 118.1(4) . . ?
C34 C33 C40 123.5(4) . . ?
C39 C34 C33 124.4(4) . . ?
C39 C34 C35 118.4(5) . . ?
C33 C34 C35 117.2(5) . . ?
N4 C35 C36 116.9(5) . . ?
N4 C35 C34 123.8(5) . . ?
C36 C35 C34 119.3(5) . . ?
C37 C36 C35 120.0(5) . . ?
C37 C36 H36A 120.0 . . ?
C35 C36 H36A 120.0 . . ?
C36 C37 C38 120.9(6) . . ?
C36 C37 H37A 119.5 . . ?
C38 C37 H37A 119.5 . . ?
C39 C38 C37 120.2(6) . . ?
C39 C38 H38A 119.9 . . ?
C37 C38 H38A 119.9 . . ?
C38 C39 C34 121.2(6) . . ?
C38 C39 H39A 119.4 . . ?
C34 C39 H39A 119.4 . . ?
O8 C40 O7 120.7(4) . . ?
O8 C40 C33 121.4(4) . . ?
O7 C40 C33 117.7(4) . . ?
O8 C40 Yb1 62.8(2) . 4_665 ?
O7 C40 Yb1 60.6(2) . 4_665 ?
C33 C40 Yb1 159.0(3) . 4_665 ?
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 O2 2.233(3) . ?
Yb1 O3 2.276(3) 3_566 ?
Yb1 O10 2.291(3) . ?
Yb1 O6 2.306(3) 2_556 ?
Yb1 O10 2.346(3) 2_556 ?
Yb1 O9 2.357(3) . ?
Yb1 O7 2.391(3) 4_566 ?
Yb1 O8 2.440(3) 4_566 ?
Yb1 C40 2.744(4) 4_566 ?
Yb1 Yb1 3.6570(8) 2_556 ?
Yb1 Yb2 3.7140(7) 2_556 ?
Yb1 Yb2 3.7536(7) . ?
Yb1 H10A 2.7403 . ?
Yb2 O9 2.285(3) . ?
Yb2 O1 2.287(3) . ?
Yb2 O4 2.291(4) 3_576 ?
Yb2 O9 2.302(3) 2_556 ?
Yb2 O5 2.334(4) . ?
Yb2 O10 2.352(3) 2_556 ?
Yb2 O11 2.362(4) . ?
Yb2 O12 2.413(4) . ?
Yb2 Yb1 3.7141(7) 2_556 ?
Yb2 Yb2 3.7345(9) 2_556 ?
Yb2 H9B 2.7124 . ?
O1 C10 1.261(5) . ?
O2 C10 1.235(6) . ?
O3 C20 1.244(5) . ?
O3 Yb1 2.276(3) 3_566 ?
O4 C20 1.255(5) . ?
O4 Yb2 2.291(4) 3_576 ?
O5 C30 1.272(6) . ?
O6 C30 1.236(6) . ?
O6 Yb1 2.306(3) 2_556 ?
O7 C40 1.283(6) . ?
O7 Yb1 2.391(3) 4_665 ?
O8 C40 1.256(6) . ?
O8 Yb1 2.440(3) 4_665 ?
O9 Yb2 2.302(3) 2_556 ?
O9 H9B 0.8497 . ?
O10 Yb1 2.346(3) 2_556 ?
O10 Yb2 2.352(3) 2_556 ?
O10 H10A 0.8500 . ?
O11 H11A 0.8500 . ?
O11 H11B 0.8499 . ?
O12 H12B 0.8500 . ?
O12 H12C 0.8500 . ?
O13 H13A 0.8549 . ?
O13 H13B 0.8500 . ?
O14 H14A 0.8499 . ?
O14 H14B 0.8499 . ?
N1 C1 1.319(6) . ?
N1 C5 1.370(6) . ?
N2 C11 1.322(6) . ?
N2 C15 1.373(6) . ?
N3 C21 1.313(7) . ?
N3 C25 1.356(7) . ?
N4 C31 1.341(7) . ?
N4 C35 1.349(7) . ?
C1 C2 1.414(6) . ?
C1 C11 1.492(6) . ?
C2 C3 1.360(6) . ?
C2 H2A 0.9300 . ?
C3 C4 1.448(6) . ?
C3 C10 1.515(6) . ?
C4 C5 1.414(6) . ?
C4 C9 1.422(6) . ?
C5 C6 1.428(6) . ?
C6 C7 1.360(8) . ?
C6 H6A 0.9300 . ?
C7 C8 1.397(8) . ?
C7 H7A 0.9300 . ?
C8 C9 1.383(7) . ?
C8 H8A 0.9300 . ?
C9 H9A 0.9300 . ?
C11 C12 1.411(6) . ?
C12 C13 1.367(6) . ?
C12 H12A 0.9300 . ?
C13 C14 1.427(6) . ?
C13 C20 1.496(7) . ?
C14 C15 1.418(7) . ?
C14 C19 1.423(7) . ?
C15 C16 1.415(6) . ?
C16 C17 1.358(8) . ?
C16 H16A 0.9300 . ?
C17 C18 1.408(8) . ?
C17 H17A 0.9300 . ?
C18 C19 1.352(8) . ?
C18 H18A 0.9300 . ?
C19 H19A 0.9300 . ?
C21 C22 1.423(6) . ?
C21 C31 1.481(7) . ?
C22 C23 1.341(7) . ?
C22 H22A 0.9300 . ?
C23 C24 1.443(7) . ?
C23 C30 1.527(6) . ?
C24 C29 1.403(8) . ?
C24 C25 1.429(7) . ?
C25 C26 1.409(8) . ?
C26 C27 1.367(9) . ?
C26 H26A 0.9300 . ?
C27 C28 1.392(9) . ?
C27 H27A 0.9300 . ?
C28 C29 1.363(8) . ?
C28 H28A 0.9300 . ?
C29 H29A 0.9300 . ?
C31 C32 1.417(7) . ?
C32 C33 1.364(7) . ?
C32 H32A 0.9300 . ?
C33 C34 1.425(6) . ?
C33 C40 1.497(6) . ?
C34 C39 1.413(8) . ?
C34 C35 1.427(7) . ?
C35 C36 1.414(7) . ?
C36 C37 1.360(9) . ?
C36 H36A 0.9300 . ?
C37 C38 1.414(9) . ?
C37 H37A 0.9300 . ?
C38 C39 1.351(8) . ?
C38 H38A 0.9300 . ?
C39 H39A 0.9300 . ?
C40 Yb1 2.744(4) 4_665 ?
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
O2 Yb1 Yb2 O9 99.67(15) . . . . ?
O3 Yb1 Yb2 O9 -174.06(14) 3_566 . . . ?
O10 Yb1 Yb2 O9 -73.37(14) . . . . ?
O6 Yb1 Yb2 O9 17.33(15) 2_556 . . . ?
O10 Yb1 Yb2 O9 -150.60(18) 2_556 . . . ?
O7 Yb1 Yb2 O9 -63.8(2) 4_566 . . . ?
O8 Yb1 Yb2 O9 93.4(2) 4_566 . . . ?
C40 Yb1 Yb2 O9 34.6(6) 4_566 . . . ?
Yb1 Yb1 Yb2 O9 -110.03(12) 2_556 . . . ?
Yb2 Yb1 Yb2 O9 -38.06(12) 2_556 . . . ?
O2 Yb1 Yb2 O1 -8.60(14) . . . . ?
O3 Yb1 Yb2 O1 77.67(13) 3_566 . . . ?
O10 Yb1 Yb2 O1 178.37(12) . . . . ?
O6 Yb1 Yb2 O1 -90.94(14) 2_556 . . . ?
O10 Yb1 Yb2 O1 101.14(16) 2_556 . . . ?
O9 Yb1 Yb2 O1 -108.26(15) . . . . ?
O7 Yb1 Yb2 O1 -172.1(2) 4_566 . . . ?
O8 Yb1 Yb2 O1 -14.86(18) 4_566 . . . ?
C40 Yb1 Yb2 O1 -73.7(6) 4_566 . . . ?
Yb1 Yb1 Yb2 O1 141.71(9) 2_556 . . . ?
Yb2 Yb1 Yb2 O1 -146.33(9) 2_556 . . . ?
O2 Yb1 Yb2 O4 69.20(14) . . . 3_576 ?
O3 Yb1 Yb2 O4 155.47(14) 3_566 . . 3_576 ?
O10 Yb1 Yb2 O4 -103.83(13) . . . 3_576 ?
O6 Yb1 Yb2 O4 -13.14(14) 2_556 . . 3_576 ?
O10 Yb1 Yb2 O4 178.94(16) 2_556 . . 3_576 ?
O9 Yb1 Yb2 O4 -30.46(15) . . . 3_576 ?
O7 Yb1 Yb2 O4 -94.3(2) 4_566 . . 3_576 ?
O8 Yb1 Yb2 O4 62.94(19) 4_566 . . 3_576 ?
C40 Yb1 Yb2 O4 4.1(6) 4_566 . . 3_576 ?
Yb1 Yb1 Yb2 O4 -140.49(10) 2_556 . . 3_576 ?
Yb2 Yb1 Yb2 O4 -68.53(10) 2_556 . . 3_576 ?
O2 Yb1 Yb2 O9 172.45(12) . . . 2_556 ?
O3 Yb1 Yb2 O9 -101.28(11) 3_566 . . 2_556 ?
O10 Yb1 Yb2 O9 -0.58(11) . . . 2_556 ?
O6 Yb1 Yb2 O9 90.11(12) 2_556 . . 2_556 ?
O10 Yb1 Yb2 O9 -77.81(15) 2_556 . . 2_556 ?
O9 Yb1 Yb2 O9 72.79(13) . . . 2_556 ?
O7 Yb1 Yb2 O9 9.0(2) 4_566 . . 2_556 ?
O8 Yb1 Yb2 O9 166.19(18) 4_566 . . 2_556 ?
C40 Yb1 Yb2 O9 107.3(6) 4_566 . . 2_556 ?
Yb1 Yb1 Yb2 O9 -37.24(7) 2_556 . . 2_556 ?
Yb2 Yb1 Yb2 O9 34.72(7) 2_556 . . 2_556 ?
O2 Yb1 Yb2 O5 -112.74(15) . . . . ?
O3 Yb1 Yb2 O5 -26.47(14) 3_566 . . . ?
O10 Yb1 Yb2 O5 74.22(13) . . . . ?
O6 Yb1 Yb2 O5 164.92(15) 2_556 . . . ?
O10 Yb1 Yb2 O5 -3.01(16) 2_556 . . . ?
O9 Yb1 Yb2 O5 147.59(16) . . . . ?
O7 Yb1 Yb2 O5 83.8(2) 4_566 . . . ?
O8 Yb1 Yb2 O5 -119.01(19) 4_566 . . . ?
C40 Yb1 Yb2 O5 -177.9(6) 4_566 . . . ?
Yb1 Yb1 Yb2 O5 37.56(11) 2_556 . . . ?
Yb2 Yb1 Yb2 O5 109.53(11) 2_556 . . . ?
O2 Yb1 Yb2 O10 -109.73(16) . . . 2_556 ?
O3 Yb1 Yb2 O10 -23.46(16) 3_566 . . 2_556 ?
O10 Yb1 Yb2 O10 77.23(15) . . . 2_556 ?
O6 Yb1 Yb2 O10 167.93(16) 2_556 . . 2_556 ?
O9 Yb1 Yb2 O10 150.60(18) . . . 2_556 ?
O7 Yb1 Yb2 O10 86.8(2) 4_566 . . 2_556 ?
O8 Yb1 Yb2 O10 -116.0(2) 4_566 . . 2_556 ?
C40 Yb1 Yb2 O10 -174.8(6) 4_566 . . 2_556 ?
Yb1 Yb1 Yb2 O10 40.57(13) 2_556 . . 2_556 ?
Yb2 Yb1 Yb2 O10 112.54(13) 2_556 . . 2_556 ?
O2 Yb1 Yb2 O11 -20.1(2) . . . . ?
O3 Yb1 Yb2 O11 66.2(2) 3_566 . . . ?
O10 Yb1 Yb2 O11 166.90(19) . . . . ?
O6 Yb1 Yb2 O11 -102.4(2) 2_556 . . . ?
O10 Yb1 Yb2 O11 89.7(2) 2_556 . . . ?
O9 Yb1 Yb2 O11 -119.7(2) . . . . ?
O7 Yb1 Yb2 O11 176.5(3) 4_566 . . . ?
O8 Yb1 Yb2 O11 -26.3(2) 4_566 . . . ?
C40 Yb1 Yb2 O11 -85.2(6) 4_566 . . . ?
Yb1 Yb1 Yb2 O11 130.25(18) 2_556 . . . ?
Yb2 Yb1 Yb2 O11 -157.79(18) 2_556 . . . ?
O2 Yb1 Yb2 O12 148.4(3) . . . . ?
O3 Yb1 Yb2 O12 -125.4(3) 3_566 . . . ?
O10 Yb1 Yb2 O12 -24.7(3) . . . . ?
O6 Yb1 Yb2 O12 66.0(3) 2_556 . . . ?
O10 Yb1 Yb2 O12 -101.9(3) 2_556 . . . ?
O9 Yb1 Yb2 O12 48.7(3) . . . . ?
O7 Yb1 Yb2 O12 -15.1(3) 4_566 . . . ?
O8 Yb1 Yb2 O12 142.1(3) 4_566 . . . ?
C40 Yb1 Yb2 O12 83.3(6) 4_566 . . . ?
Yb1 Yb1 Yb2 O12 -61.3(2) 2_556 . . . ?
Yb2 Yb1 Yb2 O12 10.6(2) 2_556 . . . ?
O2 Yb1 Yb2 Yb1 -150.31(10) . . . 2_556 ?
O3 Yb1 Yb2 Yb1 -64.04(9) 3_566 . . 2_556 ?
O10 Yb1 Yb2 Yb1 36.66(8) . . . 2_556 ?
O6 Yb1 Yb2 Yb1 127.35(10) 2_556 . . 2_556 ?
O10 Yb1 Yb2 Yb1 -40.57(13) 2_556 . . 2_556 ?
O9 Yb1 Yb2 Yb1 110.03(12) . . . 2_556 ?
O7 Yb1 Yb2 Yb1 46.2(2) 4_566 . . 2_556 ?
O8 Yb1 Yb2 Yb1 -156.57(16) 4_566 . . 2_556 ?
C40 Yb1 Yb2 Yb1 144.6(6) 4_566 . . 2_556 ?
Yb2 Yb1 Yb2 Yb1 71.96(2) 2_556 . . 2_556 ?
O2 Yb1 Yb2 Yb2 137.73(10) . . . 2_556 ?
O3 Yb1 Yb2 Yb2 -136.00(9) 3_566 . . 2_556 ?
O10 Yb1 Yb2 Yb2 -35.31(8) . . . 2_556 ?
O6 Yb1 Yb2 Yb2 55.39(10) 2_556 . . 2_556 ?
O10 Yb1 Yb2 Yb2 -112.54(13) 2_556 . . 2_556 ?
O9 Yb1 Yb2 Yb2 38.06(12) . . . 2_556 ?
O7 Yb1 Yb2 Yb2 -25.7(2) 4_566 . . 2_556 ?
O8 Yb1 Yb2 Yb2 131.47(16) 4_566 . . 2_556 ?
C40 Yb1 Yb2 Yb2 72.6(6) 4_566 . . 2_556 ?
Yb1 Yb1 Yb2 Yb2 -71.96(2) 2_556 . . 2_556 ?
O9 Yb2 O1 C10 -19.6(4) . . . . ?
O4 Yb2 O1 C10 -91.0(5) 3_576 . . . ?
O9 Yb2 O1 C10 16.9(5) 2_556 . . . ?
O5 Yb2 O1 C10 126.1(4) . . . . ?
O10 Yb2 O1 C10 52.1(4) 2_556 . . . ?
O11 Yb2 O1 C10 -173.2(5) . . . . ?
O12 Yb2 O1 C10 -145.1(5) . . . . ?
Yb1 Yb2 O1 C10 51.2(5) 2_556 . . . ?
Yb2 Yb2 O1 C10 -17.7(5) 2_556 . . . ?
Yb1 Yb2 O1 C10 15.3(4) . . . . ?
O3 Yb1 O2 C10 -95.4(5) 3_566 . . . ?
O10 Yb1 O2 C10 25.4(6) . . . . ?
O6 Yb1 O2 C10 117.8(5) 2_556 . . . ?
O10 Yb1 O2 C10 -22.3(5) 2_556 . . . ?
O9 Yb1 O2 C10 47.7(5) . . . . ?
O7 Yb1 O2 C10 -176.7(4) 4_566 . . . ?
O8 Yb1 O2 C10 -171.1(5) 4_566 . . . ?
C40 Yb1 O2 C10 -178.3(5) 4_566 . . . ?
Yb1 Yb1 O2 C10 -18.7(5) 2_556 . . . ?
Yb2 Yb1 O2 C10 52.8(5) 2_556 . . . ?
Yb2 Yb1 O2 C10 12.3(4) . . . . ?
O9 Yb2 O5 C30 -41.2(6) . . . . ?
O1 Yb2 O5 C30 -149.8(4) . . . . ?
O4 Yb2 O5 C30 102.9(5) 3_576 . . . ?
O9 Yb2 O5 C30 -4.4(4) 2_556 . . . ?
O10 Yb2 O5 C30 -75.9(4) 2_556 . . . ?
O11 Yb2 O5 C30 151.8(5) . . . . ?
O12 Yb2 O5 C30 71.7(5) . . . . ?
Yb1 Yb2 O5 C30 -39.9(4) 2_556 . . . ?
Yb2 Yb2 O5 C30 -6.1(5) 2_556 . . . ?
Yb1 Yb2 O5 C30 -74.1(5) . . . . ?
O1 Yb2 O9 Yb2 177.14(15) . . . 2_556 ?
O4 Yb2 O9 Yb2 -97.25(16) 3_576 . . 2_556 ?
O9 Yb2 O9 Yb2 19.76(15) 2_556 . . 2_556 ?
O5 Yb2 O9 Yb2 59.8(2) . . . 2_556 ?
O10 Yb2 O9 Yb2 96.15(13) 2_556 . . 2_556 ?
O11 Yb2 O9 Yb2 -140.5(2) . . . 2_556 ?
O12 Yb2 O9 Yb2 -38.30(18) . . . 2_556 ?
Yb1 Yb2 O9 Yb2 58.55(10) 2_556 . . 2_556 ?
Yb1 Yb2 O9 Yb2 114.34(16) . . . 2_556 ?
O1 Yb2 O9 Yb1 62.80(13) . . . . ?
O4 Yb2 O9 Yb1 148.42(15) 3_576 . . . ?
O9 Yb2 O9 Yb1 -94.58(9) 2_556 . . . ?
O5 Yb2 O9 Yb1 -54.6(2) . . . . ?
O10 Yb2 O9 Yb1 -18.19(11) 2_556 . . . ?
O11 Yb2 O9 Yb1 105.1(2) . . . . ?
O12 Yb2 O9 Yb1 -152.64(14) . . . . ?
Yb1 Yb2 O9 Yb1 -55.79(9) 2_556 . . . ?
Yb2 Yb2 O9 Yb1 -114.34(16) 2_556 . . . ?
O2 Yb1 O9 Yb2 -71.13(13) . . . . ?
O3 Yb1 O9 Yb2 9.3(2) 3_566 . . . ?
O10 Yb1 O9 Yb2 96.69(12) . . . . ?
O6 Yb1 O9 Yb2 -162.06(16) 2_556 . . . ?
O10 Yb1 O9 Yb2 18.37(11) 2_556 . . . ?
O7 Yb1 O9 Yb2 151.62(11) 4_566 . . . ?
O8 Yb1 O9 Yb2 -131.92(14) 4_566 . . . ?
C40 Yb1 O9 Yb2 -170.95(16) 4_566 . . . ?
Yb1 Yb1 O9 Yb2 56.93(9) 2_556 . . . ?
Yb2 Yb1 O9 Yb2 116.50(15) 2_556 . . . ?
O2 Yb1 O9 Yb2 172.36(13) . . . 2_556 ?
O3 Yb1 O9 Yb2 -107.16(18) 3_566 . . 2_556 ?
O10 Yb1 O9 Yb2 -19.81(11) . . . 2_556 ?
O6 Yb1 O9 Yb2 81.43(14) 2_556 . . 2_556 ?
O10 Yb1 O9 Yb2 -98.13(12) 2_556 . . 2_556 ?
O7 Yb1 O9 Yb2 35.12(17) 4_566 . . 2_556 ?
O8 Yb1 O9 Yb2 111.58(15) 4_566 . . 2_556 ?
C40 Yb1 O9 Yb2 72.54(19) 4_566 . . 2_556 ?
Yb1 Yb1 O9 Yb2 -59.57(8) 2_556 . . 2_556 ?
Yb2 Yb1 O9 Yb2 -116.50(15) . . . 2_556 ?
O2 Yb1 O10 Yb1 -68.9(3) . . . 2_556 ?
O3 Yb1 O10 Yb1 49.03(14) 3_566 . . 2_556 ?
O6 Yb1 O10 Yb1 -159.66(13) 2_556 . . 2_556 ?
O10 Yb1 O10 Yb1 -18.41(15) 2_556 . . 2_556 ?
O9 Yb1 O10 Yb1 -92.30(12) . . . 2_556 ?
O7 Yb1 O10 Yb1 127.66(14) 4_566 . . 2_556 ?
O8 Yb1 O10 Yb1 133.00(13) 4_566 . . 2_556 ?
C40 Yb1 O10 Yb1 134.86(13) 4_566 . . 2_556 ?
Yb2 Yb1 O10 Yb1 -111.73(16) 2_556 . . 2_556 ?
Yb2 Yb1 O10 Yb1 -56.30(9) . . . 2_556 ?
O2 Yb1 O10 Yb2 42.8(3) . . . 2_556 ?
O3 Yb1 O10 Yb2 160.75(12) 3_566 . . 2_556 ?
O6 Yb1 O10 Yb2 -47.93(14) 2_556 . . 2_556 ?
O10 Yb1 O10 Yb2 93.32(9) 2_556 . . 2_556 ?
O9 Yb1 O10 Yb2 19.43(11) . . . 2_556 ?
O7 Yb1 O10 Yb2 -120.61(14) 4_566 . . 2_556 ?
O8 Yb1 O10 Yb2 -115.28(15) 4_566 . . 2_556 ?
C40 Yb1 O10 Yb2 -113.42(14) 4_566 . . 2_556 ?
Yb1 Yb1 O10 Yb2 111.73(16) 2_556 . . 2_556 ?
Yb2 Yb1 O10 Yb2 55.43(9) . . . 2_556 ?
C5 N1 C1 C2 0.2(6) . . . . ?
C5 N1 C1 C11 179.7(4) . . . . ?
N1 C1 C2 C3 -1.6(7) . . . . ?
C11 C1 C2 C3 178.8(4) . . . . ?
C1 C2 C3 C4 0.0(6) . . . . ?
C1 C2 C3 C10 177.9(4) . . . . ?
C2 C3 C4 C5 2.8(6) . . . . ?
C10 C3 C4 C5 -174.9(4) . . . . ?
C2 C3 C4 C9 -178.3(4) . . . . ?
C10 C3 C4 C9 4.0(7) . . . . ?
C1 N1 C5 C4 3.1(6) . . . . ?
C1 N1 C5 C6 -176.4(4) . . . . ?
C9 C4 C5 N1 176.5(4) . . . . ?
C3 C4 C5 N1 -4.5(6) . . . . ?
C9 C4 C5 C6 -4.1(6) . . . . ?
C3 C4 C5 C6 174.9(4) . . . . ?
N1 C5 C6 C7 -177.4(5) . . . . ?
C4 C5 C6 C7 3.1(7) . . . . ?
C5 C6 C7 C8 -0.3(9) . . . . ?
C6 C7 C8 C9 -1.4(9) . . . . ?
C7 C8 C9 C4 0.4(8) . . . . ?
C5 C4 C9 C8 2.4(7) . . . . ?
C3 C4 C9 C8 -176.5(4) . . . . ?
Yb1 O2 C10 O1 -7.1(8) . . . . ?
Yb1 O2 C10 C3 174.2(3) . . . . ?
Yb2 O1 C10 O2 -13.2(7) . . . . ?
Yb2 O1 C10 C3 165.6(3) . . . . ?
C2 C3 C10 O2 175.5(4) . . . . ?
C4 C3 C10 O2 -6.7(7) . . . . ?
C2 C3 C10 O1 -3.3(6) . . . . ?
C4 C3 C10 O1 174.5(4) . . . . ?
C15 N2 C11 C12 0.2(7) . . . . ?
C15 N2 C11 C1 177.8(4) . . . . ?
N1 C1 C11 N2 -179.7(4) . . . . ?
C2 C1 C11 N2 -0.1(6) . . . . ?
N1 C1 C11 C12 -2.0(6) . . . . ?
C2 C1 C11 C12 177.6(4) . . . . ?
N2 C11 C12 C13 -2.0(7) . . . . ?
C1 C11 C12 C13 -179.5(4) . . . . ?
C11 C12 C13 C14 2.0(7) . . . . ?
C11 C12 C13 C20 -177.0(4) . . . . ?
C12 C13 C14 C15 -0.4(6) . . . . ?
C20 C13 C14 C15 178.6(4) . . . . ?
C12 C13 C14 C19 176.9(5) . . . . ?
C20 C13 C14 C19 -4.1(7) . . . . ?
C11 N2 C15 C16 -179.7(4) . . . . ?
C11 N2 C15 C14 1.5(6) . . . . ?
C19 C14 C15 N2 -178.8(4) . . . . ?
C13 C14 C15 N2 -1.4(6) . . . . ?
C19 C14 C15 C16 2.4(7) . . . . ?
C13 C14 C15 C16 179.8(4) . . . . ?
N2 C15 C16 C17 -179.5(5) . . . . ?
C14 C15 C16 C17 -0.6(7) . . . . ?
C15 C16 C17 C18 -0.4(8) . . . . ?
C16 C17 C18 C19 -0.4(8) . . . . ?
C17 C18 C19 C14 2.2(8) . . . . ?
C15 C14 C19 C18 -3.2(7) . . . . ?
C13 C14 C19 C18 179.6(5) . . . . ?
Yb1 O3 C20 O4 144.4(5) 3_566 . . . ?
Yb1 O3 C20 C13 -37.0(9) 3_566 . . . ?
Yb2 O4 C20 O3 108.5(9) 3_576 . . . ?
Yb2 O4 C20 C13 -70.1(11) 3_576 . . . ?
C12 C13 C20 O3 -58.0(6) . . . . ?
C14 C13 C20 O3 123.0(5) . . . . ?
C12 C13 C20 O4 120.7(5) . . . . ?
C14 C13 C20 O4 -58.3(6) . . . . ?
C25 N3 C21 C22 0.3(9) . . . . ?
C25 N3 C21 C31 -178.3(5) . . . . ?
N3 C21 C22 C23 -0.2(9) . . . . ?
C31 C21 C22 C23 178.4(5) . . . . ?
C21 C22 C23 C24 1.1(8) . . . . ?
C21 C22 C23 C30 -176.7(5) . . . . ?
C22 C23 C24 C29 179.1(6) . . . . ?
C30 C23 C24 C29 -3.2(9) . . . . ?
C22 C23 C24 C25 -2.1(8) . . . . ?
C30 C23 C24 C25 175.6(5) . . . . ?
C21 N3 C25 C26 179.6(6) . . . . ?
C21 N3 C25 C24 -1.4(9) . . . . ?
C29 C24 C25 N3 -178.8(6) . . . . ?
C23 C24 C25 N3 2.3(9) . . . . ?
C29 C24 C25 C26 0.2(9) . . . . ?
C23 C24 C25 C26 -178.8(6) . . . . ?
N3 C25 C26 C27 178.8(7) . . . . ?
C24 C25 C26 C27 -0.2(11) . . . . ?
C25 C26 C27 C28 0.6(12) . . . . ?
C26 C27 C28 C29 -0.9(12) . . . . ?
C27 C28 C29 C24 0.8(11) . . . . ?
C25 C24 C29 C28 -0.5(9) . . . . ?
C23 C24 C29 C28 178.4(6) . . . . ?
Yb1 O6 C30 O5 19.6(8) 2_556 . . . ?
Yb1 O6 C30 C23 -160.4(3) 2_556 . . . ?
Yb2 O5 C30 O6 32.5(8) . . . . ?
Yb2 O5 C30 C23 -147.6(4) . . . . ?
C22 C23 C30 O6 176.2(5) . . . . ?
C24 C23 C30 O6 -1.5(8) . . . . ?
C22 C23 C30 O5 -3.7(7) . . . . ?
C24 C23 C30 O5 178.5(5) . . . . ?
C35 N4 C31 C32 2.3(8) . . . . ?
C35 N4 C31 C21 -176.0(5) . . . . ?
N3 C21 C31 N4 -159.0(5) . . . . ?
C22 C21 C31 N4 22.3(8) . . . . ?
N3 C21 C31 C32 22.7(8) . . . . ?
C22 C21 C31 C32 -156.0(5) . . . . ?
N4 C31 C32 C33 -3.3(8) . . . . ?
C21 C31 C32 C33 175.0(5) . . . . ?
C31 C32 C33 C34 1.0(7) . . . . ?
C31 C32 C33 C40 -174.9(4) . . . . ?
C32 C33 C34 C39 -179.5(6) . . . . ?
C40 C33 C34 C39 -3.9(8) . . . . ?
C32 C33 C34 C35 1.8(7) . . . . ?
C40 C33 C34 C35 177.5(5) . . . . ?
C31 N4 C35 C36 179.4(5) . . . . ?
C31 N4 C35 C34 0.7(8) . . . . ?
C39 C34 C35 N4 178.4(6) . . . . ?
C33 C34 C35 N4 -2.8(8) . . . . ?
C39 C34 C35 C36 -0.2(8) . . . . ?
C33 C34 C35 C36 178.6(5) . . . . ?
N4 C35 C36 C37 -178.5(6) . . . . ?
C34 C35 C36 C37 0.2(10) . . . . ?
C35 C36 C37 C38 0.7(12) . . . . ?
C36 C37 C38 C39 -1.6(14) . . . . ?
C37 C38 C39 C34 1.6(13) . . . . ?
C33 C34 C39 C38 -179.3(7) . . . . ?
C35 C34 C39 C38 -0.7(10) . . . . ?
Yb1 O8 C40 O7 18.5(5) 4_665 . . . ?
Yb1 O8 C40 C33 -156.4(4) 4_665 . . . ?
Yb1 O7 C40 O8 -18.9(5) 4_665 . . . ?
Yb1 O7 C40 C33 156.1(4) 4_665 . . . ?
C32 C33 C40 O8 147.3(5) . . . . ?
C34 C33 C40 O8 -28.3(7) . . . . ?
C32 C33 C40 O7 -27.7(7) . . . . ?
C34 C33 C40 O7 156.7(5) . . . . ?
C32 C33 C40 Yb1 51.9(12) . . . 4_665 ?
C34 C33 C40 Yb1 -123.7(9) . . . 4_665 ?
