#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:25:48 +0100 (Fri 25 de Mar de 2016) $
#$Revision: 179969 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/63/7026305.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_7026305
loop_
_publ_author_name
'Feng, Xun'
'Liu, Bin'
'Wang, Li-Ya'
'Zhao, Jian-She'
'Wang, Jian Ge'
'Weng, Ng Seik'
'Shi, Xin-Ge'
_publ_section_title
;
 A series of lanthanide-organic polymers incorporating
 nitrogen-heterocyclic and aliphatic carboxylate mixed-ligands:
 structures, luminescent and magnetic properties.
;
_journal_issue                   34
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8038
_journal_page_last               8049
_journal_paper_doi               10.1039/c0dt00333f
_journal_volume                  39
_journal_year                    2010
_chemical_formula_sum            'C11 H17 N O19 Yb2'
_chemical_formula_weight         813.34
_chemical_name_systematic
;

?

;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                94.034(2)
_cell_angle_beta                 103.297(2)
_cell_angle_gamma                107.688(2)
_cell_formula_units_Z            2
_cell_length_a                   8.1983(14)
_cell_length_b                   10.5672(18)
_cell_length_c                   13.057(2)
_cell_measurement_reflns_used    4573
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.25
_cell_measurement_theta_min      2.70
_cell_volume                     1036.7(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0192
_diffrn_reflns_av_sigmaI/netI    0.0282
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7753
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.70
_exptl_absorpt_coefficient_mu    9.062
_exptl_absorpt_correction_T_max  0.3080
_exptl_absorpt_correction_T_min  0.2103
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.606
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             764
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.17
_refine_diff_density_max         1.841
_refine_diff_density_min         -0.967
_refine_diff_density_rms         0.212
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         3812
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0387
_refine_ls_R_factor_gt           0.0329
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0489P)²+9.4861P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0882
_refine_ls_wR_factor_ref         0.0935
_reflns_number_gt                3350
_reflns_number_total             3812
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt00333f.txt
_cod_data_source_block           h
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7026305
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Yb1 Yb 0.32825(4) 1.02855(3) 0.18850(2) 0.01664(11) Uani 1 1 d .
Yb2 Yb 0.77741(4) 0.67889(3) 0.39521(2) 0.01572(11) Uani 1 1 d .
O1 O 0.0441(7) 0.8575(5) 0.1457(4) 0.0215(11) Uani 1 1 d .
O2 O -0.0479(7) 0.8188(5) 0.2925(4) 0.0173(10) Uani 1 1 d .
O3 O -0.4206(7) 0.4480(5) 0.3394(4) 0.0178(11) Uani 1 1 d .
O4 O -0.5370(8) 0.2576(5) 0.2264(4) 0.0264(12) Uani 1 1 d .
O5 O 0.5687(6) 1.0271(4) 0.3385(4) 0.0147(10) Uani 1 1 d .
O6 O 0.7366(6) 0.9071(5) 0.4085(4) 0.0153(10) Uani 1 1 d .
O7 O 0.5130(6) 0.6890(5) 0.2713(4) 0.0171(10) Uani 1 1 d .
O8 O 0.3689(7) 0.8164(5) 0.1894(4) 0.0273(13) Uani 1 1 d .
O9 O 0.3965(7) 0.9309(5) -0.1321(4) 0.0216(11) Uani 1 1 d .
O10 O 0.2800(6) 0.9737(5) -0.0005(4) 0.0195(11) Uani 1 1 d .
O11 O 0.8352(6) 0.5474(5) 0.5386(4) 0.0165(10) Uani 1 1 d .
O12 O 0.9804(6) 0.4113(5) 0.6064(4) 0.0161(10) Uani 1 1 d .
N1 N -0.2510(7) 0.5734(5) 0.2085(4) 0.0110(11) Uani 1 1 d .
C1 C -0.1591(9) 0.6448(7) 0.1467(5) 0.0137(14) Uani 1 1 d .
C2 C -0.1710(12) 0.5874(8) 0.0451(6) 0.0292(19) Uani 1 1 d .
H2 H -0.1068 0.6369 0.0027 0.035 Uiso 1 1 calc R
C3 C -0.2796(13) 0.4556(8) 0.0075(6) 0.035(2) Uani 1 1 d .
H3 H -0.2894 0.4157 -0.0604 0.042 Uiso 1 1 calc R
C4 C -0.3724(12) 0.3850(7) 0.0719(6) 0.0261(18) Uani 1 1 d .
H4 H -0.4466 0.2967 0.0479 0.031 Uiso 1 1 calc R
C5 C -0.3544(9) 0.4465(7) 0.1729(5) 0.0151(14) Uani 1 1 d .
C6 C -0.0451(9) 0.7851(7) 0.1980(6) 0.0159(14) Uani 1 1 d .
C7 C -0.4454(9) 0.3777(6) 0.2529(5) 0.0130(13) Uani 1 1 d .
C8 C 0.6097(9) 0.9230(6) 0.3441(5) 0.0128(14) Uani 1 1 d .
C9 C 0.4856(9) 0.7975(7) 0.2607(5) 0.0165(15) Uani 1 1 d .
C10 C 0.4053(9) 0.9722(7) -0.0383(5) 0.0159(14) Uani 1 1 d .
C11 C 0.9459(8) 0.4880(6) 0.5422(5) 0.0113(13) Uani 1 1 d .
O13 O 0.1100(8) 1.1350(6) 0.1106(5) 0.0363(15) Uani 1 1 d .
H1W H 0.0332 1.0758 0.0631 0.054 Uiso 1 1 d R
H2W H 0.0587 1.1618 0.1541 0.054 Uiso 1 1 d R
O14 O 0.2193(7) 1.0604(6) 0.3371(4) 0.0258(12) Uani 1 1 d .
H3W H 0.1459 0.9893 0.3426 0.039 Uiso 1 1 d R
H4W H 0.2572 1.1148 0.3936 0.039 Uiso 1 1 d R
O15 O 1.0142(7) 0.8291(5) 0.5381(4) 0.0210(11) Uani 1 1 d .
H5W H 1.0681 0.8963 0.5156 0.031 Uiso 1 1 d R
H6W H 1.0552 0.8315 0.6031 0.031 Uiso 1 1 d R
O16 O 0.5907(7) 0.6853(5) 0.5128(4) 0.0209(11) Uani 1 1 d .
H7W H 0.4879 0.6715 0.4773 0.031 Uiso 1 1 d R
H8W H 0.5940 0.6532 0.5696 0.031 Uiso 1 1 d R
O17 O 0.3537(7) 0.8073(5) 0.4608(4) 0.0258(12) Uani 1 1 d .
H9W H 0.3645 0.8667 0.4213 0.039 Uiso 1 1 d R
H10W H 0.2479 0.7606 0.4515 0.039 Uiso 1 1 d R
O18 O 0.0840(16) 0.7581(10) 0.7320(8) 0.138(6) Uani 1 1 d .
H12W H 0.1723 0.8108 0.7790 0.207 Uiso 1 1 d R
H11W H 0.0152 0.7007 0.7581 0.207 Uiso 1 1 d R
O19 O 0.8443(14) 0.5401(12) 0.7772(7) 0.109(5) Uani 1 1 d .
H14W H 0.7378 0.4917 0.7649 0.163 Uiso 1 1 d R
H13W H 0.9067 0.4961 0.7608 0.163 Uiso 1 1 d R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O4 Yb1 O14 83.7(2) 1_665 .
O4 Yb1 O8 146.1(2) 1_665 .
O14 Yb1 O8 105.7(2) . .
O4 Yb1 O1 142.25(19) 1_665 .
O14 Yb1 O1 76.44(18) . .
O8 Yb1 O1 71.12(19) . .
O4 Yb1 O10 105.34(19) 1_665 .
O14 Yb1 O10 150.47(18) . .
O8 Yb1 O10 82.65(19) . .
O1 Yb1 O10 79.88(17) . .
O4 Yb1 O5 83.75(18) 1_665 .
O14 Yb1 O5 76.87(18) . .
O8 Yb1 O5 67.49(15) . .
O1 Yb1 O5 121.34(17) . .
O10 Yb1 O5 131.37(16) . .
O4 Yb1 O9 75.61(19) 1_665 2_675
O14 Yb1 O9 142.74(17) . 2_675
O8 Yb1 O9 78.0(2) . 2_675
O1 Yb1 O9 136.51(17) . 2_675
O10 Yb1 O9 66.24(16) . 2_675
O5 Yb1 O9 70.44(16) . 2_675
O4 Yb1 O13 71.7(2) 1_665 .
O14 Yb1 O13 80.6(2) . .
O8 Yb1 O13 141.35(19) . .
O1 Yb1 O13 73.6(2) . .
O10 Yb1 O13 75.98(19) . .
O5 Yb1 O13 148.21(18) . .
O9 Yb1 O13 120.1(2) 2_675 .
O4 Yb1 C9 128.93(19) 1_665 .
O14 Yb1 C9 97.71(19) . .
O8 Yb1 C9 19.53(17) . .
O1 Yb1 C9 85.82(18) . .
O10 Yb1 C9 97.89(17) . .
O5 Yb1 C9 47.96(15) . .
O9 Yb1 C9 73.32(19) 2_675 .
O13 Yb1 C9 159.24(19) . .
O4 Yb1 H3W 99.9 1_665 .
O14 Yb1 H3W 16.4 . .
O8 Yb1 H3W 93.1 . .
O1 Yb1 H3W 61.7 . .
O10 Yb1 H3W 140.4 . .
O5 Yb1 H3W 80.9 . .
O9 Yb1 H3W 151.3 2_675 .
O13 Yb1 H3W 83.8 . .
C9 Yb1 H3W 89.1 . .
O15 Yb2 O16 85.17(18) . .
O15 Yb2 O7 136.71(16) . .
O16 Yb2 O7 78.91(17) . .
O15 Yb2 O2 80.17(17) . 1_655
O16 Yb2 O2 141.95(17) . 1_655
O7 Yb2 O2 88.11(17) . 1_655
O15 Yb2 O3 143.87(17) . 1_655
O16 Yb2 O3 83.32(17) . 1_655
O7 Yb2 O3 73.82(16) . 1_655
O2 Yb2 O3 127.24(15) 1_655 1_655
O15 Yb2 O12 78.39(17) . 2_766
O16 Yb2 O12 135.49(16) . 2_766
O7 Yb2 O12 138.33(16) . 2_766
O2 Yb2 O12 75.28(16) 1_655 2_766
O3 Yb2 O12 86.23(17) 1_655 2_766
O15 Yb2 O11 72.97(17) . .
O16 Yb2 O11 69.94(16) . .
O7 Yb2 O11 134.88(17) . .
O2 Yb2 O11 136.02(16) 1_655 .
O3 Yb2 O11 70.91(16) 1_655 .
O12 Yb2 O11 65.75(15) 2_766 .
O15 Yb2 O6 71.17(15) . .
O16 Yb2 O6 71.05(17) . .
O7 Yb2 O6 65.61(15) . .
O2 Yb2 O6 71.00(16) 1_655 .
O3 Yb2 O6 135.09(16) 1_655 .
O12 Yb2 O6 137.54(16) 2_766 .
O11 Yb2 O6 128.27(15) . .
O15 Yb2 N1 135.90(18) . 1_655
O16 Yb2 N1 138.91(18) . 1_655
O7 Yb2 N1 69.11(17) . 1_655
O2 Yb2 N1 63.45(16) 1_655 1_655
O3 Yb2 N1 63.79(16) 1_655 1_655
O12 Yb2 N1 69.27(17) 2_766 1_655
O11 Yb2 N1 116.62(16) . 1_655
O6 Yb2 N1 115.09(16) . 1_655
C6 O1 Yb1 134.7(5) . .
C6 O2 Yb2 126.0(4) . 1_455
C7 O3 Yb2 125.5(4) . 1_455
C7 O4 Yb1 172.0(5) . 1_445
C8 O5 Yb1 118.4(4) . .
C8 O6 Yb2 118.6(4) . .
C9 O7 Yb2 121.4(4) . .
C9 O8 Yb1 121.1(4) . .
C10 O9 Yb1 119.2(4) . 2_675
C10 O10 Yb1 120.5(4) . .
C11 O11 Yb2 120.6(4) . .
C11 O12 Yb2 120.6(4) . 2_766
C5 N1 C1 120.3(6) . .
C5 N1 Yb2 119.7(4) . 1_455
C1 N1 Yb2 120.0(4) . 1_455
N1 C1 C2 120.5(6) . .
N1 C1 C6 114.5(6) . .
C2 C1 C6 125.0(6) . .
C3 C2 C1 119.3(7) . .
C3 C2 H2 120.3 . .
C1 C2 H2 120.3 . .
C4 C3 C2 119.1(7) . .
C4 C3 H3 120.5 . .
C2 C3 H3 120.5 . .
C3 C4 C5 119.3(7) . .
C3 C4 H4 120.4 . .
C5 C4 H4 120.4 . .
N1 C5 C4 121.5(7) . .
N1 C5 C7 114.2(6) . .
C4 C5 C7 124.3(6) . .
O1 C6 O2 125.7(6) . .
O1 C6 C1 118.2(6) . .
O2 C6 C1 116.1(6) . .
O4 C7 O3 126.1(7) . .
O4 C7 C5 117.3(6) . .
O3 C7 C5 116.6(6) . .
O6 C8 O5 127.6(6) . .
O6 C8 C9 116.4(6) . .
O5 C8 C9 116.1(6) . .
O7 C9 O8 126.3(6) . .
O7 C9 C8 117.2(6) . .
O8 C9 C8 116.5(6) . .
O7 C9 Yb1 165.4(5) . .
O8 C9 Yb1 39.4(3) . .
C8 C9 Yb1 77.2(4) . .
O10 C10 O9 127.2(6) . .
O10 C10 C10 117.1(7) . 2_675
O9 C10 C10 115.6(8) . 2_675
O11 C11 O12 127.3(6) . .
O11 C11 C11 116.5(7) . 2_766
O12 C11 C11 116.2(7) . 2_766
Yb1 O13 H1W 104.9 . .
Yb1 O13 H2W 115.2 . .
H1W O13 H2W 108.7 . .
Yb1 O14 H3W 110.0 . .
Yb1 O14 H4W 134.8 . .
H3W O14 H4W 111.8 . .
Yb2 O15 H5W 110.1 . .
Yb2 O15 H6W 137.3 . .
H5W O15 H6W 112.6 . .
Yb2 O16 H7W 109.7 . .
Yb2 O16 H8W 126.5 . .
H7W O16 H8W 112.1 . .
H9W O17 H10W 111.8 . .
H12W O18 H11W 112.4 . .
H14W O19 H13W 111.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Yb1 O4 2.298(5) 1_665
Yb1 O14 2.359(5) .
Yb1 O8 2.365(5) .
Yb1 O1 2.389(5) .
Yb1 O10 2.406(5) .
Yb1 O5 2.443(5) .
Yb1 O9 2.458(5) 2_675
Yb1 O13 2.460(5) .
Yb1 C9 3.192(7) .
Yb1 H3W 2.7531 .
Yb2 O15 2.412(5) .
Yb2 O16 2.415(5) .
Yb2 O7 2.425(5) .
Yb2 O2 2.432(5) 1_655
Yb2 O3 2.432(5) 1_655
Yb2 O12 2.453(5) 2_766
Yb2 O11 2.453(5) .
Yb2 O6 2.533(5) .
Yb2 N1 2.538(5) 1_655
O1 C6 1.245(8) .
O2 C6 1.267(9) .
O2 Yb2 2.432(5) 1_455
O3 C7 1.247(8) .
O3 Yb2 2.432(5) 1_455
O4 C7 1.238(8) .
O4 Yb1 2.298(5) 1_445
O5 C8 1.247(8) .
O6 C8 1.241(8) .
O7 C9 1.245(8) .
O8 C9 1.246(8) .
O9 C10 1.249(9) .
O9 Yb1 2.458(5) 2_675
O10 C10 1.242(9) .
O11 C11 1.245(8) .
O12 C11 1.251(8) .
O12 Yb2 2.453(5) 2_766
N1 C5 1.332(9) .
N1 C1 1.344(9) .
N1 Yb2 2.538(5) 1_455
C1 C2 1.389(10) .
C1 C6 1.500(9) .
C2 C3 1.386(11) .
C2 H2 0.9300 .
C3 C4 1.370(12) .
C3 H3 0.9300 .
C4 C5 1.385(10) .
C4 H4 0.9300 .
C5 C7 1.520(10) .
C8 C9 1.564(9) .
C10 C10 1.551(13) 2_675
C11 C11 1.556(12) 2_766
O13 H1W 0.8359 .
O13 H2W 0.8601 .
O14 H3W 0.8268 .
O14 H4W 0.8353 .
O15 H5W 0.8272 .
O15 H6W 0.8333 .
O16 H7W 0.8263 .
O16 H8W 0.8358 .
O17 H9W 0.8362 .
O17 H10W 0.8331 .
O18 H12W 0.8451 .
O18 H11W 0.8439 .
O19 H14W 0.8381 .
O19 H13W 0.8395 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O13 H1W O10 0.84 2.39 3.005(8) 131.4 2_575
O13 H2W O18 0.86 2.35 3.209(18) 177.4 2_576
O14 H3W O2 0.83 1.95 2.731(7) 156.4 .
O14 H4W O16 0.84 2.20 2.967(8) 152.4 2_676
O14 H4W O6 0.84 2.60 3.240(7) 134.2 2_676
O15 H5W O6 0.83 2.20 2.835(7) 134.3 2_776
O15 H6W O18 0.83 1.90 2.675(10) 154.9 1_655
O16 H7W O17 0.83 2.05 2.634(7) 127.1 .
O16 H8W O3 0.84 2.15 2.843(7) 140.6 2_566
O17 H9W O5 0.84 2.49 3.222(7) 146.3 .
O17 H10W O12 0.83 2.11 2.894(7) 156.0 2_666
O17 H10W O15 0.83 2.68 3.235(7) 125.1 1_455
O18 H11W O11 0.84 2.99 3.094(10) 88.8 1_455
O18 H11W O13 0.84 2.91 3.209(18) 103.1 2_576
O19 H13W O12 0.84 2.42 3.117(12) 140.6 .
O19 H14W O7 0.84 2.27 3.076(10) 162.5 2_666
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_4
O4 Yb1 O1 C6 -95.4(7) 1_665 .
O14 Yb1 O1 C6 -35.2(6) . .
O8 Yb1 O1 C6 77.0(7) . .
O10 Yb1 O1 C6 162.6(7) . .
O5 Yb1 O1 C6 30.0(7) . .
O9 Yb1 O1 C6 124.1(6) 2_675 .
O13 Yb1 O1 C6 -119.2(7) . .
C9 Yb1 O1 C6 63.8(6) . .
O4 Yb1 O5 C8 -157.5(5) 1_665 .
O14 Yb1 O5 C8 117.6(5) . .
O8 Yb1 O5 C8 4.2(5) . .
O1 Yb1 O5 C8 52.7(5) . .
O10 Yb1 O5 C8 -52.5(6) . .
O9 Yb1 O5 C8 -80.6(5) 2_675 .
O13 Yb1 O5 C8 163.6(5) . .
C9 Yb1 O5 C8 4.3(5) . .
O15 Yb2 O6 C8 178.8(5) . .
O16 Yb2 O6 C8 -89.9(5) . .
O7 Yb2 O6 C8 -3.8(5) . .
O2 Yb2 O6 C8 93.0(5) 1_655 .
O3 Yb2 O6 C8 -31.1(6) 1_655 .
O12 Yb2 O6 C8 132.2(5) 2_766 .
O11 Yb2 O6 C8 -132.8(5) . .
N1 Yb2 O6 C8 46.1(5) 1_655 .
O15 Yb2 O7 C9 11.4(7) . .
O16 Yb2 O7 C9 82.0(5) . .
O2 Yb2 O7 C9 -62.1(5) 1_655 .
O3 Yb2 O7 C9 168.1(6) 1_655 .
O12 Yb2 O7 C9 -127.3(5) 2_766 .
O11 Yb2 O7 C9 128.4(5) . .
O6 Yb2 O7 C9 7.9(5) . .
N1 Yb2 O7 C9 -124.3(6) 1_655 .
O4 Yb1 O8 C9 34.4(8) 1_665 .
O14 Yb1 O8 C9 -67.9(6) . .
O1 Yb1 O8 C9 -137.2(6) . .
O10 Yb1 O8 C9 141.1(6) . .
O5 Yb1 O8 C9 0.3(6) . .
O9 Yb1 O8 C9 73.9(6) 2_675 .
O13 Yb1 O8 C9 -162.5(5) . .
O4 Yb1 O10 C10 75.9(5) 1_665 .
O14 Yb1 O10 C10 -179.5(5) . .
O8 Yb1 O10 C10 -70.4(5) . .
O1 Yb1 O10 C10 -142.5(5) . .
O5 Yb1 O10 C10 -19.3(6) . .
O9 Yb1 O10 C10 9.6(5) 2_675 .
O13 Yb1 O10 C10 142.0(6) . .
C9 Yb1 O10 C10 -58.2(5) . .
O15 Yb2 O11 C11 -89.9(5) . .
O16 Yb2 O11 C11 179.1(5) . .
O7 Yb2 O11 C11 129.8(5) . .
O2 Yb2 O11 C11 -35.0(6) 1_655 .
O3 Yb2 O11 C11 89.3(5) 1_655 .
O12 Yb2 O11 C11 -5.2(5) 2_766 .
O6 Yb2 O11 C11 -137.7(4) . .
N1 Yb2 O11 C11 43.5(5) 1_655 .
C5 N1 C1 C2 0.2(10) . .
Yb2 N1 C1 C2 178.8(6) 1_455 .
C5 N1 C1 C6 -178.7(6) . .
Yb2 N1 C1 C6 0.0(8) 1_455 .
N1 C1 C2 C3 0.3(13) . .
C6 C1 C2 C3 179.0(8) . .
C1 C2 C3 C4 -0.2(14) . .
C2 C3 C4 C5 -0.5(14) . .
C1 N1 C5 C4 -0.9(10) . .
Yb2 N1 C5 C4 -179.5(6) 1_455 .
C1 N1 C5 C7 178.3(6) . .
Yb2 N1 C5 C7 -0.4(7) 1_455 .
C3 C4 C5 N1 1.0(12) . .
C3 C4 C5 C7 -178.0(7) . .
Yb1 O1 C6 O2 33.7(11) . .
Yb1 O1 C6 C1 -145.7(5) . .
Yb2 O2 C6 O1 179.7(5) 1_455 .
Yb2 O2 C6 C1 -0.9(8) 1_455 .
N1 C1 C6 O1 -180.0(6) . .
C2 C1 C6 O1 1.2(11) . .
N1 C1 C6 O2 0.6(9) . .
C2 C1 C6 O2 -178.2(7) . .
Yb1 O4 C7 O3 -87(4) 1_445 .
Yb1 O4 C7 C5 93(4) 1_445 .
Yb2 O3 C7 O4 175.1(5) 1_455 .
Yb2 O3 C7 C5 -4.9(8) 1_455 .
N1 C5 C7 O4 -176.8(6) . .
C4 C5 C7 O4 2.3(10) . .
N1 C5 C7 O3 3.3(9) . .
C4 C5 C7 O3 -177.7(7) . .
Yb2 O6 C8 O5 179.9(5) . .
Yb2 O6 C8 C9 0.4(8) . .
Yb1 O5 C8 O6 173.3(6) . .
Yb1 O5 C8 C9 -7.3(8) . .
Yb2 O7 C9 O8 168.9(6) . .
Yb2 O7 C9 C8 -10.7(9) . .
Yb2 O7 C9 Yb1 177.5(17) . .
Yb1 O8 C9 O7 176.6(6) . .
Yb1 O8 C9 C8 -3.7(9) . .
O6 C8 C9 O7 6.6(10) . .
O5 C8 C9 O7 -172.9(6) . .
O6 C8 C9 O8 -173.0(6) . .
O5 C8 C9 O8 7.4(10) . .
O6 C8 C9 Yb1 -175.5(6) . .
O5 C8 C9 Yb1 5.0(5) . .
O4 Yb1 C9 O7 -167(2) 1_665 .
O14 Yb1 C9 O7 105(2) . .
O8 Yb1 C9 O7 -10.9(18) . .
O1 Yb1 C9 O7 29(2) . .
O10 Yb1 C9 O7 -50(2) . .
O5 Yb1 C9 O7 169(2) . .
O9 Yb1 C9 O7 -112(2) 2_675 .
O13 Yb1 C9 O7 21(2) . .
O4 Yb1 C9 O8 -156.1(6) 1_665 .
O14 Yb1 C9 O8 115.9(6) . .
O1 Yb1 C9 O8 40.2(6) . .
O10 Yb1 C9 O8 -39.0(6) . .
O5 Yb1 C9 O8 -179.7(7) . .
O9 Yb1 C9 O8 -101.2(6) 2_675 .
O13 Yb1 C9 O8 32.1(10) . .
O4 Yb1 C9 C8 20.5(5) 1_665 .
O14 Yb1 C9 C8 -67.6(4) . .
O8 Yb1 C9 C8 176.6(8) . .
O1 Yb1 C9 C8 -143.3(4) . .
O10 Yb1 C9 C8 137.6(4) . .
O5 Yb1 C9 C8 -3.1(3) . .
O9 Yb1 C9 C8 75.3(4) 2_675 .
O13 Yb1 C9 C8 -151.3(5) . .
Yb1 O10 C10 O9 171.0(6) . .
Yb1 O10 C10 C10 -9.2(10) . 2_675
Yb1 O9 C10 O10 171.2(6) 2_675 .
Yb1 O9 C10 C10 -8.6(10) 2_675 2_675
Yb2 O11 C11 O12 -175.2(5) . .
Yb2 O11 C11 C11 5.0(9) . 2_766
Yb2 O12 C11 O11 -175.1(5) 2_766 .
Yb2 O12 C11 C11 4.7(9) 2_766 2_766
