#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:02:06 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180023 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/17/7031776.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_7031776
loop_
_publ_author_name
'Zheng, Zhi-Peng'
'Zhang, Xiu-Xia'
'Li, Teng'
'Yang, Jian'
'Wei, Lei-Ming'
'Zhang, Li-Guo'
'Lin, Xiao-Ming'
'Cai, Yue-Peng'
_publ_section_title
;
 Construction of four low-dimensional NIR-luminescence-tunable Yb(iii)
 complexes.
;
_journal_issue                   37
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14009
_journal_page_last               14015
_journal_paper_doi               10.1039/c4dt01601g
_journal_volume                  43
_journal_year                    2014
_chemical_formula_sum            'C13 H12 N O11 Yb'
_chemical_formula_weight         531.28
_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                104.103(2)
_cell_angle_beta                 101.500(2)
_cell_angle_gamma                105.459(2)
_cell_formula_units_Z            2
_cell_length_a                   7.0405(10)
_cell_length_b                   10.0943(14)
_cell_length_c                   12.0712(17)
_cell_measurement_reflns_used    1537
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      23.94
_cell_measurement_theta_min      2.20
_cell_volume                     769.20(19)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω 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  0.0226
_diffrn_reflns_av_sigmaI/netI    0.0516
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            4078
_diffrn_reflns_theta_full        25.66
_diffrn_reflns_theta_max         25.66
_diffrn_reflns_theta_min         1.81
_exptl_absorpt_coefficient_mu    6.145
_exptl_absorpt_correction_T_max  0.541
_exptl_absorpt_correction_T_min  0.276
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.294
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             510
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.538
_refine_diff_density_min         -1.488
_refine_diff_density_rms         0.199
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     240
_refine_ls_number_reflns         2857
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0467
_refine_ls_R_factor_gt           0.0388
_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)+(0.0521P)²+3.0232P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0933
_refine_ls_wR_factor_ref         0.0984
_reflns_number_gt                2474
_reflns_number_total             2857
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt01601g2.cif
_cod_data_source_block           CCDC1003837(3)
_cod_depositor_comments
'Adding full bibliography for 7031774--7031777.cif.'
_cod_original_sg_symbol_H-M      p-1
_cod_database_code               7031776
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
O8 O 0.5716(8) 1.1858(6) 0.5186(5) 0.0278(13) Uani 1 1 d .
O6 O 0.4866(8) 0.3647(5) 0.3749(4) 0.0225(12) Uani 1 1 d .
O9 O 0.9802(9) 0.7085(6) 0.6710(6) 0.0406(17) Uani 1 1 d .
H9A H 1.1047 0.7608 0.6861 0.061 Uiso 1 1 d R
H9B H 0.9577 0.6273 0.6200 0.061 Uiso 1 1 d R
Yb1 Yb 0.75920(5) 0.82674(3) 0.59204(3) 0.02211(13) Uani 1 1 d .
O4 O 0.8160(9) 0.8624(6) 0.4169(5) 0.0266(13) Uani 1 1 d .
O3 O 0.9092(8) 1.0165(6) 0.3194(5) 0.0228(12) Uani 1 1 d .
O5 O 0.6863(8) 0.5965(5) 0.4471(4) 0.0214(11) Uani 1 1 d .
O10 O 0.7570(9) 0.9121(7) 0.7927(5) 0.0335(14) Uani 1 1 d .
H10A H 0.8756 0.9709 0.8341 0.050 Uiso 1 1 d R
H10B H 0.7269 0.8410 0.8195 0.050 Uiso 1 1 d R
O7 O 0.7299(9) 1.0630(6) 0.6123(5) 0.0297(13) Uani 1 1 d .
O1 O 0.6147(8) 1.1015(5) 0.1512(5) 0.0233(12) Uani 1 1 d .
O2 O 0.8185(8) 1.0107(6) 0.0595(5) 0.0251(12) Uani 1 1 d .
H2 H 0.8355 0.9319 0.0412 0.038 Uiso 1 1 calc R
N1 N 0.4307(9) 0.7626(6) 0.0198(5) 0.0172(13) Uani 1 1 d .
C11 C 0.7952(11) 0.9039(7) 0.3292(6) 0.0159(15) Uani 1 1 d .
C2 C 0.6243(11) 0.8064(8) 0.2176(6) 0.0170(15) Uani 1 1 d .
C1 C 0.5767(10) 0.8535(8) 0.1184(6) 0.0152(14) Uani 1 1 d .
C9 C 0.3280(11) 0.6186(8) 0.0080(6) 0.0182(15) Uani 1 1 d .
C8 C 0.1872(12) 0.5260(9) -0.0990(7) 0.0256(18) Uani 1 1 d .
H8 H 0.1578 0.5596 -0.1634 0.031 Uiso 1 1 calc R
C7 C 0.0926(12) 0.3857(10) -0.1083(8) 0.032(2) Uani 1 1 d .
H7 H -0.0013 0.3232 -0.1798 0.039 Uiso 1 1 calc R
C6 C 0.1347(12) 0.3346(9) -0.0122(9) 0.033(2) Uani 1 1 d .
H6 H 0.0683 0.2382 -0.0209 0.039 Uiso 1 1 calc R
C5 C 0.2717(12) 0.4229(9) 0.0948(8) 0.0280(18) Uani 1 1 d .
H5 H 0.2975 0.3869 0.1582 0.034 Uiso 1 1 calc R
C4 C 0.3737(11) 0.5696(8) 0.1078(7) 0.0200(16) Uani 1 1 d .
C3 C 0.5198(11) 0.6683(8) 0.2127(6) 0.0182(15) Uani 1 1 d .
H3 H 0.5461 0.6395 0.2801 0.022 Uiso 1 1 calc R
C12 C 0.5509(11) 0.4876(8) 0.4488(6) 0.0167(15) Uani 1 1 d .
C13 C 0.5886(12) 1.0696(8) 0.5385(7) 0.0230(17) Uani 1 1 d .
C10 C 0.6837(11) 1.0039(8) 0.1101(6) 0.0184(16) Uani 1 1 d .
O11 O 0.0594(10) 0.5715(6) 0.3817(6) 0.0362(14) Uani 1 1 d G
H11A H -0.0304 0.5908 0.4145 0.054 Uiso 1 1 d G
H11B H 0.1654 0.6465 0.4037 0.054 Uiso 1 1 d G
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
C13 O8 Yb1 117.2(5) . 2_676
C12 O6 Yb1 119.1(4) . 2_666
Yb1 O9 H9A 109.5 . .
Yb1 O9 H9B 109.2 . .
H9A O9 H9B 109.5 . .
O3 Yb1 O4 84.94(19) 2_776 .
O3 Yb1 O10 78.3(2) 2_776 .
O4 Yb1 O10 152.4(2) . .
O3 Yb1 O9 68.49(19) 2_776 .
O4 Yb1 O9 110.7(2) . .
O10 Yb1 O9 83.4(2) . .
O3 Yb1 O8 141.78(18) 2_776 2_676
O4 Yb1 O8 76.9(2) . 2_676
O10 Yb1 O8 103.2(2) . 2_676
O9 Yb1 O8 149.6(2) . 2_676
O3 Yb1 O5 121.40(18) 2_776 .
O4 Yb1 O5 70.79(18) . .
O10 Yb1 O5 136.79(19) . .
O9 Yb1 O5 71.89(19) . .
O8 Yb1 O5 83.97(18) 2_676 .
O3 Yb1 O6 139.55(18) 2_776 2_666
O4 Yb1 O6 130.96(18) . 2_666
O10 Yb1 O6 73.53(19) . 2_666
O9 Yb1 O6 79.8(2) . 2_666
O8 Yb1 O6 73.93(19) 2_676 2_666
O5 Yb1 O6 67.69(17) . 2_666
O3 Yb1 O7 75.68(19) 2_776 .
O4 Yb1 O7 78.4(2) . .
O10 Yb1 O7 76.3(2) . .
O9 Yb1 O7 141.67(19) . .
O8 Yb1 O7 67.91(18) 2_676 .
O5 Yb1 O7 142.20(18) . .
O6 Yb1 O7 123.4(2) 2_666 .
O3 Yb1 C13 93.69(19) 2_776 .
O4 Yb1 C13 70.1(2) . .
O10 Yb1 C13 89.1(2) . .
O9 Yb1 C13 161.7(2) . .
O8 Yb1 C13 48.58(18) 2_676 .
O5 Yb1 C13 123.52(19) . .
O6 Yb1 C13 114.0(2) 2_666 .
O7 Yb1 C13 20.39(18) . .
O3 Yb1 C12 145.17(17) 2_776 2_666
O4 Yb1 C12 113.02(18) . 2_666
O10 Yb1 C12 92.9(2) . 2_666
O9 Yb1 C12 77.09(19) . 2_666
O8 Yb1 C12 72.96(18) 2_676 2_666
O5 Yb1 C12 47.95(17) . 2_666
O6 Yb1 C12 19.85(17) 2_666 2_666
O7 Yb1 C12 135.34(19) . 2_666
C13 Yb1 C12 120.06(19) . 2_666
O3 Yb1 C13 120.85(19) 2_776 2_676
O4 Yb1 C13 69.3(2) . 2_676
O10 Yb1 C13 100.8(2) . 2_676
O9 Yb1 C13 170.23(19) . 2_676
O8 Yb1 C13 20.94(19) 2_676 2_676
O5 Yb1 C13 99.42(18) . 2_676
O6 Yb1 C13 92.9(2) 2_666 2_676
O7 Yb1 C13 48.06(19) . 2_676
C13 Yb1 C13 28.0(3) . 2_676
C12 Yb1 C13 93.82(19) 2_666 2_676
O3 Yb1 C12 135.43(18) 2_776 .
O4 Yb1 C12 88.07(18) . .
O10 Yb1 C12 119.2(2) . .
O9 Yb1 C12 73.20(19) . .
O8 Yb1 C12 77.82(18) 2_676 .
O5 Yb1 C12 19.93(18) . .
O6 Yb1 C12 47.83(17) 2_666 .
O7 Yb1 C12 145.12(18) . .
C13 Yb1 C12 124.80(19) . .
C12 Yb1 C12 28.0(2) 2_666 .
C13 Yb1 C12 97.10(18) 2_676 .
C11 O4 Yb1 157.5(5) . .
C11 O3 Yb1 137.7(5) . 2_776
C12 O5 Yb1 119.4(5) . .
Yb1 O10 H10A 109.2 . .
Yb1 O10 H10B 109.5 . .
H10A O10 H10B 109.4 . .
C13 O7 Yb1 116.4(5) . .
C10 O2 H2 109.5 . .
C1 N1 C9 123.0(6) . .
O4 C11 O3 126.3(7) . .
O4 C11 C2 118.1(6) . .
O3 C11 C2 115.5(6) . .
C3 C2 C1 119.7(6) . .
C3 C2 C11 119.1(6) . .
C1 C2 C11 121.1(6) . .
N1 C1 C2 119.5(6) . .
N1 C1 C10 115.0(6) . .
C2 C1 C10 125.5(6) . .
C8 C9 N1 120.7(7) . .
C8 C9 C4 121.2(7) . .
N1 C9 C4 118.1(6) . .
C7 C8 C9 119.2(8) . .
C7 C8 H8 120.4 . .
C9 C8 H8 120.4 . .
C8 C7 C6 120.8(7) . .
C8 C7 H7 119.6 . .
C6 C7 H7 119.6 . .
C5 C6 C7 121.6(8) . .
C5 C6 H6 119.2 . .
C7 C6 H6 119.2 . .
C6 C5 C4 119.2(8) . .
C6 C5 H5 120.4 . .
C4 C5 H5 120.4 . .
C3 C4 C5 123.8(7) . .
C3 C4 C9 118.3(7) . .
C5 C4 C9 117.9(7) . .
C2 C3 C4 121.3(7) . .
C2 C3 H3 119.4 . .
C4 C3 H3 119.4 . .
O6 C12 O5 126.6(7) . .
O6 C12 C12 117.3(8) . 2_666
O5 C12 C12 116.0(8) . 2_666
O6 C12 Yb1 41.1(3) . 2_666
O5 C12 Yb1 167.3(5) . 2_666
C12 C12 Yb1 76.5(5) 2_666 2_666
O6 C12 Yb1 166.6(5) . .
O5 C12 Yb1 40.6(3) . .
C12 C12 Yb1 75.5(5) 2_666 .
Yb1 C12 Yb1 152.0(2) 2_666 .
O7 C13 O8 125.6(7) . .
O7 C13 C13 119.6(8) . 2_676
O8 C13 C13 114.8(8) . 2_676
O7 C13 Yb1 43.2(4) . .
O8 C13 Yb1 164.0(6) . .
C13 C13 Yb1 77.7(5) 2_676 .
O7 C13 Yb1 162.8(5) . 2_676
O8 C13 Yb1 41.9(4) . 2_676
C13 C13 Yb1 74.3(5) 2_676 2_676
Yb1 C13 Yb1 152.0(3) . 2_676
O2 C10 O1 128.4(7) . .
O2 C10 C1 115.9(6) . .
O1 C10 C1 115.6(7) . .
H11A O11 H11B 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
O8 C13 1.284(9) .
O8 Yb1 2.397(5) 2_676
O6 C12 1.241(9) .
O6 Yb1 2.400(5) 2_666
O9 Yb1 2.388(5) .
O9 H9A 0.8500 .
O9 H9B 0.8500 .
Yb1 O3 2.304(5) 2_776
Yb1 O4 2.321(5) .
Yb1 O10 2.369(5) .
Yb1 O8 2.397(5) 2_676
Yb1 O5 2.398(5) .
Yb1 O6 2.400(5) 2_666
Yb1 O7 2.406(5) .
Yb1 C13 3.147(7) .
Yb1 C12 3.193(7) 2_666
Yb1 C13 3.195(8) 2_676
Yb1 C12 3.207(7) .
O4 C11 1.227(9) .
O3 C11 1.252(9) .
O3 Yb1 2.304(5) 2_776
O5 C12 1.255(9) .
O10 H10A 0.8509 .
O10 H10B 0.8508 .
O7 C13 1.224(9) .
O1 C10 1.251(9) .
O2 C10 1.223(9) .
O2 H2 0.8200 .
N1 C1 1.339(9) .
N1 C9 1.398(9) .
C11 C2 1.519(9) .
C2 C3 1.372(10) .
C2 C1 1.405(10) .
C1 C10 1.541(10) .
C9 C8 1.390(10) .
C9 C4 1.420(10) .
C8 C7 1.361(12) .
C8 H8 0.9300 .
C7 C6 1.391(13) .
C7 H7 0.9300 .
C6 C5 1.370(12) .
C6 H6 0.9300 .
C5 C4 1.418(11) .
C5 H5 0.9300 .
C4 C3 1.405(10) .
C3 H3 0.9300 .
C12 C12 1.550(14) 2_666
C12 Yb1 3.193(7) 2_666
C13 C13 1.537(15) 2_676
C13 Yb1 3.195(7) 2_676
O11 H11A 0.8501 .
O11 H11B 0.8500 .
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
O3 Yb1 O4 C11 -112.7(13) 2_776 .
O10 Yb1 O4 C11 -60.2(14) . .
O9 Yb1 O4 C11 -177.5(12) . .
O8 Yb1 O4 C11 33.4(12) 2_676 .
O5 Yb1 O4 C11 121.5(13) . .
O6 Yb1 O4 C11 88.1(13) 2_666 .
O7 Yb1 O4 C11 -36.4(13) . .
C13 Yb1 O4 C11 -17.0(12) . .
C12 Yb1 O4 C11 98.2(13) 2_666 .
C13 Yb1 O4 C11 13.0(12) 2_676 .
C12 Yb1 O4 C11 111.3(13) . .
O3 Yb1 O5 C12 139.9(5) 2_776 .
O4 Yb1 O5 C12 -148.9(5) . .
O10 Yb1 O5 C12 32.2(6) . .
O9 Yb1 O5 C12 90.6(5) . .
O8 Yb1 O5 C12 -70.7(5) 2_676 .
O6 Yb1 O5 C12 4.4(5) 2_666 .
O7 Yb1 O5 C12 -111.8(5) . .
C13 Yb1 O5 C12 -100.4(5) . .
C12 Yb1 O5 C12 1.8(6) 2_666 .
C13 Yb1 O5 C12 -84.8(5) 2_676 .
O3 Yb1 O7 C13 151.4(6) 2_776 .
O4 Yb1 O7 C13 63.7(6) . .
O10 Yb1 O7 C13 -127.4(6) . .
O9 Yb1 O7 C13 172.5(6) . .
O8 Yb1 O7 C13 -16.8(6) 2_676 .
O5 Yb1 O7 C13 28.1(8) . .
O6 Yb1 O7 C13 -68.1(6) 2_666 .
C12 Yb1 O7 C13 -47.4(7) 2_666 .
C13 Yb1 O7 C13 -8.8(7) 2_676 .
C12 Yb1 O7 C13 -5.5(8) . .
Yb1 O4 C11 O3 98.6(14) . .
Yb1 O4 C11 C2 -85.8(13) . .
Yb1 O3 C11 O4 21.6(13) 2_776 .
Yb1 O3 C11 C2 -154.1(5) 2_776 .
O4 C11 C2 C3 -9.4(10) . .
O3 C11 C2 C3 166.7(7) . .
O4 C11 C2 C1 172.8(7) . .
O3 C11 C2 C1 -11.1(10) . .
C9 N1 C1 C2 -3.2(10) . .
C9 N1 C1 C10 175.2(6) . .
C3 C2 C1 N1 -0.5(10) . .
C11 C2 C1 N1 177.3(6) . .
C3 C2 C1 C10 -178.7(7) . .
C11 C2 C1 C10 -0.9(11) . .
C1 N1 C9 C8 -175.8(7) . .
C1 N1 C9 C4 3.5(10) . .
N1 C9 C8 C7 178.8(7) . .
C4 C9 C8 C7 -0.5(11) . .
C9 C8 C7 C6 0.3(12) . .
C8 C7 C6 C5 0.1(13) . .
C7 C6 C5 C4 -0.3(12) . .
C6 C5 C4 C3 -178.7(7) . .
C6 C5 C4 C9 0.1(11) . .
C8 C9 C4 C3 179.1(7) . .
N1 C9 C4 C3 -0.2(10) . .
C8 C9 C4 C5 0.3(11) . .
N1 C9 C4 C5 -179.0(7) . .
C1 C2 C3 C4 3.8(11) . .
C11 C2 C3 C4 -174.1(6) . .
C5 C4 C3 C2 175.4(7) . .
C9 C4 C3 C2 -3.4(11) . .
Yb1 O6 C12 O5 176.1(5) 2_666 .
Yb1 O6 C12 C12 -6.4(10) 2_666 2_666
Yb1 O6 C12 Yb1 -168.1(19) 2_666 .
Yb1 O5 C12 O6 174.4(6) . .
Yb1 O5 C12 C12 -3.0(10) . 2_666
Yb1 O5 C12 Yb1 -173.9(19) . 2_666
O3 Yb1 C12 O6 -71(2) 2_776 .
O4 Yb1 C12 O6 10(2) . .
O10 Yb1 C12 O6 -175(2) . .
O9 Yb1 C12 O6 -103(2) . .
O8 Yb1 C12 O6 87(2) 2_676 .
O5 Yb1 C12 O6 -20(2) . .
O6 Yb1 C12 O6 166(2) 2_666 .
O7 Yb1 C12 O6 76(2) . .
C13 Yb1 C12 O6 74(2) . .
C12 Yb1 C12 O6 163(3) 2_666 .
C13 Yb1 C12 O6 78(2) 2_676 .
O3 Yb1 C12 O5 -51.6(6) 2_776 .
O4 Yb1 C12 O5 29.2(5) . .
O10 Yb1 C12 O5 -155.3(5) . .
O9 Yb1 C12 O5 -83.1(5) . .
O8 Yb1 C12 O5 106.3(5) 2_676 .
O6 Yb1 C12 O5 -174.5(6) 2_666 .
O7 Yb1 C12 O5 95.6(6) . .
C13 Yb1 C12 O5 93.2(5) . .
C12 Yb1 C12 O5 -177.2(9) 2_666 .
C13 Yb1 C12 O5 98.1(5) 2_676 .
O3 Yb1 C12 C12 125.6(5) 2_776 2_666
O4 Yb1 C12 C12 -153.6(5) . 2_666
O10 Yb1 C12 C12 21.9(6) . 2_666
O9 Yb1 C12 C12 94.1(5) . 2_666
O8 Yb1 C12 C12 -76.6(5) 2_676 2_666
O5 Yb1 C12 C12 177.2(9) . 2_666
O6 Yb1 C12 C12 2.7(4) 2_666 2_666
O7 Yb1 C12 C12 -87.3(6) . 2_666
C13 Yb1 C12 C12 -89.6(5) . 2_666
C13 Yb1 C12 C12 -84.8(5) 2_676 2_666
O3 Yb1 C12 Yb1 125.6(5) 2_776 2_666
O4 Yb1 C12 Yb1 -153.6(5) . 2_666
O10 Yb1 C12 Yb1 21.9(6) . 2_666
O9 Yb1 C12 Yb1 94.1(5) . 2_666
O8 Yb1 C12 Yb1 -76.6(5) 2_676 2_666
O5 Yb1 C12 Yb1 177.2(9) . 2_666
O6 Yb1 C12 Yb1 2.7(4) 2_666 2_666
O7 Yb1 C12 Yb1 -87.3(6) . 2_666
C13 Yb1 C12 Yb1 -89.6(5) . 2_666
C12 Yb1 C12 Yb1 0.0 2_666 2_666
C13 Yb1 C12 Yb1 -84.8(5) 2_676 2_666
Yb1 O7 C13 O8 -164.6(6) . .
Yb1 O7 C13 C13 15.8(12) . 2_676
Yb1 O7 C13 Yb1 157.2(17) . 2_676
Yb1 O8 C13 O7 -164.2(7) 2_676 .
Yb1 O8 C13 C13 15.4(11) 2_676 2_676
Yb1 O8 C13 Yb1 154.8(17) 2_676 .
O3 Yb1 C13 O7 -27.7(6) 2_776 .
O4 Yb1 C13 O7 -111.0(6) . .
O10 Yb1 C13 O7 50.5(6) . .
O9 Yb1 C13 O7 -15.0(11) . .
O8 Yb1 C13 O7 159.1(7) 2_676 .
O5 Yb1 C13 O7 -159.7(6) . .
O6 Yb1 C13 O7 122.0(6) 2_666 .
C12 Yb1 C13 O7 143.3(6) 2_666 .
C13 Yb1 C13 O7 165.9(11) 2_676 .
C12 Yb1 C13 O7 176.2(6) . .
O3 Yb1 C13 O8 24(2) 2_776 .
O4 Yb1 C13 O8 -60(2) . .
O10 Yb1 C13 O8 102(2) . .
O9 Yb1 C13 O8 36(2) . .
O8 Yb1 C13 O8 -150(2) 2_676 .
O5 Yb1 C13 O8 -108(2) . .
O6 Yb1 C13 O8 173(2) 2_666 .
O7 Yb1 C13 O8 51.2(19) . .
C12 Yb1 C13 O8 -165.5(19) 2_666 .
C13 Yb1 C13 O8 -143(2) 2_676 .
C12 Yb1 C13 O8 -133(2) . .
O3 Yb1 C13 C13 166.3(6) 2_776 2_676
O4 Yb1 C13 C13 83.1(6) . 2_676
O10 Yb1 C13 C13 -115.4(6) . 2_676
O9 Yb1 C13 C13 179.1(6) . 2_676
O8 Yb1 C13 C13 -6.8(5) 2_676 2_676
O5 Yb1 C13 C13 34.3(7) . 2_676
O6 Yb1 C13 C13 -43.9(6) 2_666 2_676
O7 Yb1 C13 C13 -165.9(11) . 2_676
C12 Yb1 C13 C13 -22.7(7) 2_666 2_676
C12 Yb1 C13 C13 10.2(7) . 2_676
O3 Yb1 C13 Yb1 166.3(6) 2_776 2_676
O4 Yb1 C13 Yb1 83.1(6) . 2_676
O10 Yb1 C13 Yb1 -115.4(6) . 2_676
O9 Yb1 C13 Yb1 179.1(6) . 2_676
O8 Yb1 C13 Yb1 -6.8(5) 2_676 2_676
O5 Yb1 C13 Yb1 34.3(7) . 2_676
O6 Yb1 C13 Yb1 -43.9(6) 2_666 2_676
O7 Yb1 C13 Yb1 -165.9(11) . 2_676
C12 Yb1 C13 Yb1 -22.7(7) 2_666 2_676
C13 Yb1 C13 Yb1 0.0 2_676 2_676
C12 Yb1 C13 Yb1 10.2(7) . 2_676
N1 C1 C10 O2 -80.3(8) . .
C2 C1 C10 O2 97.9(8) . .
N1 C1 C10 O1 96.5(7) . .
C2 C1 C10 O1 -85.3(9) . .
