#------------------------------------------------------------------------------
#$Date: 2019-11-17 14:11:59 +0200 (Sun, 17 Nov 2019) $
#$Revision: 230406 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/73/7057399.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_7057399
loop_
_publ_author_name
'Chu, Xiao-Ya'
'Wang, Wen-Min'
'Nie, Yao-Yao'
'Cui, Jian-Zhong'
'Gao, Hong-Ling'
_publ_section_title
;
 Regulating the luminescent and magnetic properties of rare-earth
 complexes with β-diketonate coligands
;
_journal_issue                   14
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              11417
_journal_paper_doi               10.1039/C8NJ01355A
_journal_volume                  42
_journal_year                    2018
_chemical_formula_moiety         'C52 H48 N6 O12 Yb2'
_chemical_formula_sum            'C52 H48 N6 O12 Yb2'
_chemical_formula_weight         1295.04
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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
_audit_creation_date             2018-04-24
_audit_creation_method
;
Olex2 1.2
(compiled 2018.04.18 svn.r3501 for OlexSys, GUI svn.r5488)
;
_audit_update_record
;
2018-04-30 deposited with the CCDC.
2018-05-08 downloaded from the CCDC.
;
_cell_angle_alpha                107.180(4)
_cell_angle_beta                 99.480(2)
_cell_angle_gamma                100.345(4)
_cell_formula_units_Z            1
_cell_length_a                   8.9225(17)
_cell_length_b                   12.199(3)
_cell_length_c                   12.327(3)
_cell_measurement_reflns_used    3913
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     1226.7(5)
_computing_cell_refinement       'CrystalClear-SM Expert 2.1 b42'
_computing_data_collection
'CrystalClear-SM Expert 2.1 b42 (Rigaku, 2015)'
_computing_data_reduction        'CrystalClear-SM Expert 2.1 b42'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      113.15
_diffrn_detector_area_resol_mean 5.814
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0229
_diffrn_reflns_av_unetI/netI     0.0211
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            15805
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.516
_diffrn_reflns_theta_min         3.136
_exptl_absorpt_coefficient_mu    3.859
_exptl_absorpt_correction_T_max  0.6546
_exptl_absorpt_correction_T_min  0.5125
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.753
_exptl_crystal_density_method    "'not measured'"
_exptl_crystal_description       Prism
_exptl_crystal_F_000             638
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.883
_refine_diff_density_min         -0.743
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     328
_refine_ls_number_reflns         5542
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.0238
_refine_ls_R_factor_gt           0.0200
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0180P)²+1.6120P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0449
_refine_ls_wR_factor_ref         0.0462
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5144
_reflns_number_total             5542
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8nj01355a2.cif
_cod_data_source_block           8
_cod_depositor_comments
'Adding full bibliography for 7057395--7057405.cif.'
_cod_database_code               7057399
_shelx_shelxl_version_number     2017/1
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.655
_shelx_estimated_absorpt_t_min   0.512
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, H6 of O6
 At 1.5 times of:
  All C(H,H,H) groups, H3 of O3
2.a Aromatic/amide H refined with riding coordinates:
 O6(H6), C2(H2), C3(H3A), C4(H4), C5(H5), C7(H7), C11(H11), C12(H12), C13(H13),
  C14(H14), C15(H15), C18(H18), C21(H21), C22(H22), C23(H23), C24(H24), C25(H25)
2.b Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C26(H26A,H26B,H26C)
2.c Idealised tetrahedral OH refined as rotating group:
 O3(H3)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
Yb1 Yb 0.48694(2) 0.15246(2) 0.09593(2) 0.01827(4) Uani 1 1 d .
O1 O 0.4126(2) 0.25276(17) 0.24698(16) 0.0248(4) Uani 1 1 d .
O2 O 0.3539(2) -0.02529(16) -0.04875(15) 0.0201(4) Uani 1 1 d .
O3 O 0.2596(3) -0.26521(19) -0.35711(17) 0.0353(5) Uani 1 1 d .
H3 H 0.329886 -0.302613 -0.355812 0.053 Uiso 1 1 calc GR
O4 O 0.6240(2) 0.34052(16) 0.13854(16) 0.0273(4) Uani 1 1 d .
O5 O 0.5094(2) 0.18104(16) -0.07631(15) 0.0232(4) Uani 1 1 d .
O6 O 0.4193(2) 0.01770(16) 0.19548(15) 0.0216(4) Uani 1 1 d .
H6 H 0.496957 -0.019370 0.220261 0.026 Uiso 1 1 calc R
N1 N 0.2160(3) 0.13819(19) 0.01976(18) 0.0216(4) Uani 1 1 d .
N2 N 0.1459(3) 0.0549(2) -0.09326(19) 0.0231(5) Uani 1 1 d .
N3 N 0.2822(3) -0.1802(2) -0.24838(18) 0.0237(5) Uani 1 1 d .
C1 C 0.3023(3) 0.3086(2) 0.2660(2) 0.0224(5) Uani 1 1 d .
C2 C 0.3138(3) 0.3879(2) 0.3788(2) 0.0270(6) Uani 1 1 d .
H2 H 0.402417 0.399918 0.439283 0.032 Uiso 1 1 calc R
C3 C 0.2004(4) 0.4482(3) 0.4032(3) 0.0322(6) Uani 1 1 d .
H3A H 0.211647 0.500288 0.480107 0.039 Uiso 1 1 calc R
C4 C 0.0691(4) 0.4338(3) 0.3168(3) 0.0360(7) Uani 1 1 d .
H4 H -0.007208 0.477622 0.333292 0.043 Uiso 1 1 calc R
C5 C 0.0524(4) 0.3547(3) 0.2069(3) 0.0323(6) Uani 1 1 d .
H5 H -0.038072 0.343363 0.148137 0.039 Uiso 1 1 calc R
C6 C 0.1647(3) 0.2901(2) 0.1786(2) 0.0239(5) Uani 1 1 d .
C7 C 0.1260(3) 0.2022(2) 0.0631(2) 0.0245(5) Uani 1 1 d .
H7 H 0.025643 0.190701 0.015199 0.029 Uiso 1 1 calc R
C8 C 0.2287(3) -0.0220(2) -0.1190(2) 0.0199(5) Uani 1 1 d .
C9 C 0.1859(3) -0.1137(2) -0.2379(2) 0.0212(5) Uani 1 1 d .
C10 C 0.0533(3) -0.1198(3) -0.3317(2) 0.0297(6) Uani 1 1 d .
H10A H 0.087447 -0.131103 -0.405039 0.045 Uiso 1 1 calc GR
H10B H 0.018864 -0.046016 -0.310388 0.045 Uiso 1 1 calc GR
H10C H -0.033687 -0.186334 -0.341626 0.045 Uiso 1 1 calc GR
C11 C 0.7398(4) 0.5736(3) 0.2787(3) 0.0311(6) Uani 1 1 d .
H11 H 0.668412 0.525938 0.305532 0.037 Uiso 1 1 calc R
C12 C 0.8311(4) 0.6819(3) 0.3553(3) 0.0391(8) Uani 1 1 d .
H12 H 0.822530 0.708101 0.434136 0.047 Uiso 1 1 calc R
C13 C 0.9340(5) 0.7510(3) 0.3167(3) 0.0480(9) Uani 1 1 d .
H13 H 0.997835 0.824684 0.369340 0.058 Uiso 1 1 calc R
C14 C 0.9451(5) 0.7140(3) 0.2016(3) 0.0563(11) Uani 1 1 d .
H14 H 1.015810 0.762603 0.175254 0.068 Uiso 1 1 calc R
C15 C 0.8534(4) 0.6060(3) 0.1244(3) 0.0440(9) Uani 1 1 d .
H15 H 0.860300 0.581254 0.045090 0.053 Uiso 1 1 calc R
C16 C 0.7515(3) 0.5341(2) 0.1632(2) 0.0265(6) Uani 1 1 d .
C17 C 0.6599(3) 0.4132(2) 0.0865(2) 0.0229(5) Uani 1 1 d .
C18 C 0.6221(3) 0.3838(2) -0.0358(2) 0.0253(6) Uani 1 1 d .
H18 H 0.644311 0.444885 -0.068152 0.030 Uiso 1 1 calc R
C19 C 0.5537(3) 0.2692(2) -0.1110(2) 0.0241(5) Uani 1 1 d .
C20 C 0.5320(3) 0.2402(2) -0.2393(2) 0.0249(6) Uani 1 1 d .
C21 C 0.6343(4) 0.3021(3) -0.2874(3) 0.0366(7) Uani 1 1 d .
H21 H 0.715002 0.368684 -0.238007 0.044 Uiso 1 1 calc R
C22 C 0.6177(5) 0.2660(3) -0.4073(3) 0.0473(9) Uani 1 1 d .
H22 H 0.688711 0.307585 -0.439505 0.057 Uiso 1 1 calc R
C23 C 0.4997(5) 0.1707(3) -0.4805(3) 0.0434(8) Uani 1 1 d .
H23 H 0.489703 0.146529 -0.562542 0.052 Uiso 1 1 calc R
C24 C 0.3957(4) 0.1105(3) -0.4335(3) 0.0357(7) Uani 1 1 d .
H24 H 0.313054 0.045664 -0.483513 0.043 Uiso 1 1 calc R
C25 C 0.4121(3) 0.1446(3) -0.3135(2) 0.0279(6) Uani 1 1 d .
H25 H 0.341037 0.102422 -0.281777 0.034 Uiso 1 1 calc R
C26 C 0.2697(3) -0.0110(3) 0.2203(3) 0.0357(7) Uani 1 1 d .
H26A H 0.243067 0.061805 0.262730 0.054 Uiso 1 1 calc GR
H26B H 0.272363 -0.062286 0.268203 0.054 Uiso 1 1 calc GR
H26C H 0.190631 -0.052153 0.147024 0.054 Uiso 1 1 calc GR
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
O1 Yb1 Yb1 147.02(5) . 2_655
O1 Yb1 O2 140.21(7) . 2_655
O1 Yb1 O2 128.89(7) . .
O1 Yb1 O4 75.79(7) . .
O1 Yb1 O5 132.70(7) . .
O1 Yb1 O6 74.45(7) . .
O1 Yb1 N1 76.45(7) . .
O1 Yb1 N3 80.91(7) . 2_655
O1 Yb1 C8 118.14(7) . .
O2 Yb1 Yb1 33.87(4) 2_655 2_655
O2 Yb1 Yb1 33.54(5) . 2_655
O2 Yb1 O2 67.41(7) 2_655 .
O2 Yb1 O6 74.33(6) . .
O2 Yb1 O6 77.70(6) 2_655 .
O2 Yb1 N1 64.96(7) . .
O2 Yb1 N1 132.33(7) 2_655 .
O2 Yb1 N3 63.95(7) 2_655 2_655
O2 Yb1 N3 125.56(7) . 2_655
O2 Yb1 C8 22.18(7) . .
O2 Yb1 C8 87.68(7) 2_655 .
O4 Yb1 Yb1 134.94(5) . 2_655
O4 Yb1 O2 146.89(7) . .
O4 Yb1 O2 109.60(7) . 2_655
O4 Yb1 O5 72.35(7) . .
O4 Yb1 O6 138.57(6) . .
O4 Yb1 N1 108.86(8) . .
O4 Yb1 N3 74.51(7) . 2_655
O4 Yb1 C8 133.05(7) . .
O5 Yb1 Yb1 77.10(5) . 2_655
O5 Yb1 O2 74.55(6) . .
O5 Yb1 O2 84.01(7) . 2_655
O5 Yb1 O6 148.08(6) . .
O5 Yb1 N1 81.83(7) . .
O5 Yb1 N3 121.52(7) . 2_655
O5 Yb1 C8 66.35(6) . .
O6 Yb1 Yb1 73.11(5) . 2_655
O6 Yb1 N1 91.37(7) . .
O6 Yb1 N3 72.89(7) . 2_655
O6 Yb1 C8 86.80(6) . .
N1 Yb1 Yb1 98.48(5) . 2_655
N1 Yb1 N3 155.27(7) . 2_655
N1 Yb1 C8 45.07(7) . .
N3 Yb1 Yb1 95.07(5) 2_655 2_655
N3 Yb1 C8 147.70(7) 2_655 .
C8 Yb1 Yb1 54.32(5) . 2_655
C1 O1 Yb1 137.08(17) . .
Yb1 O2 Yb1 112.59(7) 2_655 .
C8 O2 Yb1 115.86(16) . .
C8 O2 Yb1 125.72(16) . 2_655
N3 O3 H3 109.5 . .
C17 O4 Yb1 139.09(17) . .
C19 O5 Yb1 137.27(17) . .
Yb1 O6 H6 117.9 . .
C26 O6 Yb1 124.13(17) . .
C26 O6 H6 117.9 . .
N2 N1 Yb1 116.77(16) . .
C7 N1 Yb1 129.10(18) . .
C7 N1 N2 113.9(2) . .
C8 N2 N1 109.6(2) . .
O3 N3 Yb1 119.31(17) . 2_655
C9 N3 Yb1 123.77(17) . 2_655
C9 N3 O3 116.6(2) . .
O1 C1 C2 119.7(2) . .
O1 C1 C6 123.0(2) . .
C2 C1 C6 117.3(3) . .
C1 C2 H2 119.1 . .
C3 C2 C1 121.8(3) . .
C3 C2 H2 119.1 . .
C2 C3 H3A 119.5 . .
C2 C3 C4 120.9(3) . .
C4 C3 H3A 119.5 . .
C3 C4 H4 120.7 . .
C5 C4 C3 118.6(3) . .
C5 C4 H4 120.7 . .
C4 C5 H5 118.9 . .
C4 C5 C6 122.3(3) . .
C6 C5 H5 118.9 . .
C1 C6 C7 124.2(3) . .
C5 C6 C1 119.0(3) . .
C5 C6 C7 116.6(3) . .
N1 C7 C6 125.6(3) . .
N1 C7 H7 117.2 . .
C6 C7 H7 117.2 . .
O2 C8 Yb1 41.96(11) . .
O2 C8 C9 115.3(2) . .
N2 C8 Yb1 85.78(15) . .
N2 C8 O2 124.9(2) . .
N2 C8 C9 119.8(2) . .
C9 C8 Yb1 149.25(17) . .
N3 C9 C8 111.2(2) . .
N3 C9 C10 125.6(2) . .
C10 C9 C8 123.1(2) . .
C9 C10 H10A 109.5 . .
C9 C10 H10B 109.5 . .
C9 C10 H10C 109.5 . .
H10A C10 H10B 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C12 C11 H11 119.6 . .
C12 C11 C16 120.7(3) . .
C16 C11 H11 119.6 . .
C11 C12 H12 120.1 . .
C13 C12 C11 119.7(3) . .
C13 C12 H12 120.1 . .
C12 C13 H13 119.9 . .
C12 C13 C14 120.3(3) . .
C14 C13 H13 119.9 . .
C13 C14 H14 119.9 . .
C13 C14 C15 120.3(3) . .
C15 C14 H14 119.9 . .
C14 C15 H15 120.0 . .
C14 C15 C16 119.9(3) . .
C16 C15 H15 120.0 . .
C11 C16 C17 118.8(3) . .
C15 C16 C11 119.1(3) . .
C15 C16 C17 122.1(3) . .
O4 C17 C16 115.6(2) . .
O4 C17 C18 123.6(2) . .
C18 C17 C16 120.8(2) . .
C17 C18 H18 118.6 . .
C19 C18 C17 122.7(2) . .
C19 C18 H18 118.6 . .
O5 C19 C18 123.7(2) . .
O5 C19 C20 115.6(2) . .
C18 C19 C20 120.7(2) . .
C21 C20 C19 121.6(3) . .
C25 C20 C19 119.2(2) . .
C25 C20 C21 119.1(3) . .
C20 C21 H21 120.1 . .
C22 C21 C20 119.8(3) . .
C22 C21 H21 120.1 . .
C21 C22 H22 119.5 . .
C23 C22 C21 121.0(3) . .
C23 C22 H22 119.5 . .
C22 C23 H23 120.3 . .
C22 C23 C24 119.5(3) . .
C24 C23 H23 120.3 . .
C23 C24 H24 119.9 . .
C23 C24 C25 120.2(3) . .
C25 C24 H24 119.9 . .
C20 C25 H25 119.8 . .
C24 C25 C20 120.4(3) . .
C24 C25 H25 119.8 . .
O6 C26 H26A 109.5 . .
O6 C26 H26B 109.5 . .
O6 C26 H26C 109.5 . .
H26A C26 H26B 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Yb1 Yb1 3.8445(8) 2_655
Yb1 O1 2.1809(19) .
Yb1 O2 2.3007(19) 2_655
Yb1 O2 2.3207(17) .
Yb1 O4 2.2589(19) .
Yb1 O5 2.2851(18) .
Yb1 O6 2.3775(18) .
Yb1 N1 2.400(2) .
Yb1 N3 2.447(2) 2_655
Yb1 C8 3.123(2) .
O1 C1 1.308(3) .
O2 C8 1.310(3) .
O3 H3 0.8400 .
O3 N3 1.388(3) .
O4 C17 1.266(3) .
O5 C19 1.293(3) .
O6 H6 0.9500 .
O6 C26 1.424(3) .
N1 N2 1.419(3) .
N1 C7 1.288(4) .
N2 C8 1.296(4) .
N3 C9 1.280(4) .
C1 C2 1.415(4) .
C1 C6 1.429(4) .
C2 H2 0.9500 .
C2 C3 1.376(4) .
C3 H3A 0.9500 .
C3 C4 1.394(5) .
C4 H4 0.9500 .
C4 C5 1.378(4) .
C5 H5 0.9500 .
C5 C6 1.408(4) .
C6 C7 1.449(4) .
C7 H7 0.9500 .
C8 C9 1.496(3) .
C9 C10 1.487(4) .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 H11 0.9500 .
C11 C12 1.387(4) .
C11 C16 1.391(4) .
C12 H12 0.9500 .
C12 C13 1.372(5) .
C13 H13 0.9500 .
C13 C14 1.383(5) .
C14 H14 0.9500 .
C14 C15 1.388(5) .
C15 H15 0.9500 .
C15 C16 1.389(4) .
C16 C17 1.492(4) .
C17 C18 1.409(4) .
C18 H18 0.9500 .
C18 C19 1.388(4) .
C19 C20 1.486(4) .
C20 C21 1.396(4) .
C20 C25 1.393(4) .
C21 H21 0.9500 .
C21 C22 1.386(4) .
C22 H22 0.9500 .
C22 C23 1.380(5) .
C23 H23 0.9500 .
C23 C24 1.385(5) .
C24 H24 0.9500 .
C24 C25 1.387(4) .
C25 H25 0.9500 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
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
_geom_hbond_publ_flag
O3 H3 O1 0.84 2.33 2.972(3) 133.0 2_655 yes
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
Yb1 O1 C1 C2 -164.95(19) .
Yb1 O1 C1 C6 17.6(4) .
Yb1 O2 C8 Yb1 -151.0(2) 2_655
Yb1 O2 C8 N2 -24.6(3) .
Yb1 O2 C8 N2 -175.55(18) 2_655
Yb1 O2 C8 C9 2.7(3) 2_655
Yb1 O2 C8 C9 153.69(16) .
Yb1 O4 C17 C16 176.9(2) .
Yb1 O4 C17 C18 -5.0(5) .
Yb1 O5 C19 C18 7.3(4) .
Yb1 O5 C19 C20 -174.74(18) .
Yb1 N1 N2 C8 19.2(2) .
Yb1 N1 C7 C6 -8.7(4) .
Yb1 N3 C9 C8 -2.9(3) 2_655
Yb1 N3 C9 C10 173.7(2) 2_655
Yb1 C8 C9 N3 35.7(4) .
Yb1 C8 C9 C10 -141.0(3) .
O1 C1 C2 C3 -179.6(3) .
O1 C1 C6 C5 -179.7(2) .
O1 C1 C6 C7 4.9(4) .
O2 C8 C9 N3 0.3(3) .
O2 C8 C9 C10 -176.4(2) .
O3 N3 C9 C8 -176.8(2) .
O3 N3 C9 C10 -0.1(4) .
O4 C17 C18 C19 -5.9(5) .
O5 C19 C20 C21 -147.9(3) .
O5 C19 C20 C25 28.3(4) .
N1 N2 C8 Yb1 -13.11(17) .
N1 N2 C8 O2 3.1(3) .
N1 N2 C8 C9 -175.1(2) .
N2 N1 C7 C6 177.1(2) .
N2 C8 C9 N3 178.6(2) .
N2 C8 C9 C10 1.9(4) .
C1 C2 C3 C4 -0.5(4) .
C1 C6 C7 N1 -7.6(4) .
C2 C1 C6 C5 2.8(4) .
C2 C1 C6 C7 -172.5(2) .
C2 C3 C4 C5 2.2(5) .
C3 C4 C5 C6 -1.4(5) .
C4 C5 C6 C1 -1.2(4) .
C4 C5 C6 C7 174.5(3) .
C5 C6 C7 N1 176.9(3) .
C6 C1 C2 C3 -2.1(4) .
C7 N1 N2 C8 -165.8(2) .
C11 C12 C13 C14 1.0(6) .
C11 C16 C17 O4 -24.5(4) .
C11 C16 C17 C18 157.3(3) .
C12 C11 C16 C15 -1.6(5) .
C12 C11 C16 C17 175.4(3) .
C12 C13 C14 C15 -0.6(7) .
C13 C14 C15 C16 -0.9(6) .
C14 C15 C16 C11 1.9(5) .
C14 C15 C16 C17 -175.0(3) .
C15 C16 C17 O4 152.4(3) .
C15 C16 C17 C18 -25.8(4) .
C16 C11 C12 C13 0.2(5) .
C16 C17 C18 C19 172.2(3) .
C17 C18 C19 O5 4.6(5) .
C17 C18 C19 C20 -173.2(3) .
C18 C19 C20 C21 30.1(4) .
C18 C19 C20 C25 -153.6(3) .
C19 C20 C21 C22 174.7(3) .
C19 C20 C25 C24 -175.6(3) .
C20 C21 C22 C23 1.1(6) .
C21 C20 C25 C24 0.8(5) .
C21 C22 C23 C24 0.3(6) .
C22 C23 C24 C25 -1.1(6) .
C23 C24 C25 C20 0.6(5) .
C25 C20 C21 C22 -1.6(5) .
