#------------------------------------------------------------------------------
#$Date: 2020-09-06 11:33:26 +0300 (Sun, 06 Sep 2020) $
#$Revision: 256011 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/69/7126936.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_7126936
loop_
_publ_author_name
'Benmansour, Samia'
'Hernández-Paredes, Antonio'
'Mondal, Arpan'
'López Martínez, Gustavo'
'Canet-Ferrer, Josep'
'Konar, Sanjit'
'Gómez-García, Carlos J'
_publ_section_title
;
 Slow relaxation of the magnetization, reversible solvent exchange and
 luminescence in 2D anilato-based frameworks.
;
_journal_issue                   68
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              9862
_journal_page_last               9865
_journal_paper_doi               10.1039/d0cc03964k
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C9 H6 Br3 O9 Yb, 2(H2 O), O'
_chemical_formula_sum            'C9 H10 Br3 O12 Yb'
_chemical_formula_weight         722.94
_chemical_name_systematic        GL103
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     dual
_audit_creation_date             2019-10-11
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2020-05-22 deposited with the CCDC.	2020-07-20 downloaded from the CCDC.
;
_cell_angle_alpha                65.763(4)
_cell_angle_beta                 70.612(4)
_cell_angle_gamma                80.712(4)
_cell_formula_units_Z            2
_cell_length_a                   9.0568(4)
_cell_length_b                   10.2351(4)
_cell_length_c                   10.9160(5)
_cell_measurement_reflns_used    6671
_cell_measurement_temperature    120.00(10)
_cell_measurement_theta_max      25.0176
_cell_measurement_theta_min      3.1803
_cell_volume                     870.00(7)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      120.00(10)
_diffrn_detector_area_resol_mean 16.0267
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_details
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -89.00    8.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.6340  -77.0000 -180.0000 97

#__ type_ start__ end____ width___ exp.time_
  2 omega  -89.00    9.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.6340  -77.0000  -30.0000 98

#__ type_ start__ end____ width___ exp.time_
  3 omega  -85.00   -4.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.6340  -57.0000   60.0000 81

#__ type_ start__ end____ width___ exp.time_
  4 omega  -90.00    6.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.6340  -38.0000 -180.0000 96

#__ type_ start__ end____ width___ exp.time_
  5 omega   22.00   63.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       20.8840  -99.0000 -120.0000 41

#__ type_ start__ end____ width___ exp.time_
  6 omega  -48.00   27.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       20.8840  -57.0000  -60.0000 75

#__ type_ start__ end____ width___ exp.time_
  7 omega  -52.00   35.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       20.8840  -38.0000 -180.0000 87

#__ type_ start__ end____ width___ exp.time_
  8 omega  -49.00   47.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       20.8840  -77.0000  120.0000 96

#__ type_ start__ end____ width___ exp.time_
  9 omega    7.00   83.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       20.8840 -133.0000   82.0137 76
;
_diffrn_measurement_device_type
'SuperNova, Single source at offset), Sapphire3'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0438154000
_diffrn_orient_matrix_UB_12      0.0606726000
_diffrn_orient_matrix_UB_13      0.0101447000
_diffrn_orient_matrix_UB_21      -0.0614627000
_diffrn_orient_matrix_UB_22      -0.0160446000
_diffrn_orient_matrix_UB_23      -0.0179029000
_diffrn_orient_matrix_UB_31      -0.0346639000
_diffrn_orient_matrix_UB_32      -0.0429210000
_diffrn_orient_matrix_UB_33      0.0716895000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0334
_diffrn_reflns_av_unetI/netI     0.0267
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            10897
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.072
_diffrn_reflns_theta_max         25.072
_diffrn_reflns_theta_min         3.187
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    12.322
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.57358
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            brown
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    2.760
_exptl_crystal_description       block
_exptl_crystal_F_000             670
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.452
_refine_diff_density_min         -0.979
_refine_diff_density_rms         0.147
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     243
_refine_ls_number_reflns         3072
_refine_ls_number_restraints     27
_refine_ls_restrained_S_all      1.116
_refine_ls_R_factor_all          0.0237
_refine_ls_R_factor_gt           0.0224
_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)+(0.0372P)²+1.5402P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0595
_refine_ls_wR_factor_ref         0.0608
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2946
_reflns_number_total             3072
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0cc03964k2.cif
_cod_data_source_block           crys115a
_cod_depositor_comments
'Adding full bibliography for 7126934--7126936.cif.'
_cod_database_code               7126936
_shelx_shelxl_version_number     2017/1
_chemical_oxdiff_formula         'C11 H10 S O2'
_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   0.525
_shelx_estimated_absorpt_t_min   0.297
_reflns_odcompleteness_completeness 77.03
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.42
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.5 times of:
  All O(H,H) groups, All O(H,H,H,H) groups
2. Restrained distances
 O11W-H11A
 0.86 with sigma of 0.01
 O11W-H11B
 0.86 with sigma of 0.01
 H11A-H11B
 1.4 with sigma of 0.01
 Yb1-O13W
 2.35 with sigma of 0.01
 O13W-H13A = O13W-H13B
 0.8 with sigma of 0.01
 H13A-H13B
 1.4 with sigma of 0.01
 O2W-H13B
 2 with sigma of 0.01
 H13B-H2WA
 2.23 with sigma of 0.01
3. Rigid bond restraints
 O3W
 with sigma for 1-2 distances of 0.0004 and sigma for 1-3 distances of 0.0004
4. Uiso/Uaniso restraints and constraints
Uanis(O3W) \\sim Ueq: with sigma of 0.0004 and sigma for terminal atoms of
0.0008
Uanis(O3W') \\sim Ueq: with sigma of 0.0004 and sigma for terminal atoms of
0.0008
Uanis(O2W) \\sim Ueq: with sigma of 0.0004 and sigma for terminal atoms of
0.0008
5. Others
 Fixed Sof: O3W(0.8) O3W'(0.2)
6.a Free rotating group:
 O1W(H1WA,H1WB), O2W(H11A,H11B,H2WA,H2WB)
6.b Rotating group:
 O12W(H12A,H12B), O13W(H13A,H13B)
;
_olex2_exptl_crystal_mounting_method
'The crystal was mounted on a mylar loop with paratone oil'
_olex2_submission_original_sample_id GL103
_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
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Yb1 Yb 0.70597(2) 0.74646(2) 0.24564(2) 0.00985(8) Uani 1 1 d D . . . .
O11W O 0.4938(3) 0.5836(3) 0.3278(3) 0.0148(6) Uani 1 1 d D . . . .
O12W O 0.5025(4) 0.8652(3) 0.1566(3) 0.0177(7) Uani 1 1 d . . . . .
H12A H 0.529282 0.882477 0.066974 0.027 Uiso 1 1 d GR . . . .
H12B H 0.488075 0.950050 0.160411 0.027 Uiso 1 1 d GR . . . .
O13W O 0.8515(4) 0.9161(3) 0.0449(3) 0.0170(7) Uani 1 1 d D . . . .
H13A H 0.932664 0.908859 -0.032515 0.026 Uiso 1 1 d DGR . . . .
H13B H 0.845706 1.009521 0.036261 0.026 Uiso 1 1 d DGR . . . .
O2 O 0.5423(3) 0.7483(3) 0.4659(3) 0.0122(6) Uani 1 1 d . . . . .
O12 O 0.7550(3) 0.5222(3) 0.4068(3) 0.0139(6) Uani 1 1 d . . . . .
O22 O 0.7398(3) 0.6560(3) 0.0711(3) 0.0135(6) Uani 1 1 d . . . . .
C1 C 0.4310(5) 0.8734(4) 0.6164(4) 0.0117(8) Uani 1 1 d . . . . .
Br1 Br 0.34329(5) 0.70684(4) 0.77217(4) 0.01583(11) Uani 1 1 d . . . . .
C2 C 0.5175(5) 0.8606(4) 0.4903(4) 0.0111(8) Uani 1 1 d . . . . .
C6 C 0.4083(5) 1.0033(4) 0.6343(4) 0.0119(9) Uani 1 1 d . . . . .
O6 O 0.3303(3) 1.0218(3) 0.7441(3) 0.0138(6) Uani 1 1 d . . . . .
C11 C 0.9369(5) 0.3717(4) 0.5154(4) 0.0129(9) Uani 1 1 d . . . . .
Br11 Br 0.85598(6) 0.20459(5) 0.53089(5) 0.02072(12) Uani 1 1 d . . . . .
C12 C 0.8724(5) 0.5039(5) 0.4500(4) 0.0118(9) Uani 1 1 d . . . . .
C16 C 1.0598(5) 0.3584(4) 0.5706(4) 0.0119(9) Uani 1 1 d . . . . .
O16 O 1.1204(3) 0.2423(3) 0.6373(3) 0.0132(6) Uani 1 1 d . . . . .
C21 C 0.8794(5) 0.5226(4) -0.0678(4) 0.0127(9) Uani 1 1 d . . . . .
Br21 Br 0.71987(5) 0.54644(5) -0.15197(4) 0.01648(11) Uani 1 1 d . . . . .
C22 C 0.8590(5) 0.5855(4) 0.0287(4) 0.0114(8) Uani 1 1 d . . . . .
C26 C 1.0077(5) 0.4313(4) -0.0920(4) 0.0131(9) Uani 1 1 d . . . . .
O26 O 1.0258(4) 0.3559(3) -0.1620(3) 0.0147(6) Uani 1 1 d . . . . .
O1W O 0.9991(4) 0.9275(4) -0.2244(4) 0.0283(8) Uani 1 1 d . . . . .
H1WA H 1.082083 0.871362 -0.228457 0.042 Uiso 1 1 d G . . . .
H1WB H 1.027143 1.016213 -0.260393 0.042 Uiso 1 1 d G . . . .
O2W O 0.7336(4) 1.1882(3) -0.0654(3) 0.0254(8) Uani 1 1 d D U . . .
H11A H 0.525105 0.499113 0.377041 0.038 Uiso 1 1 d DG . . . .
H11B H 0.393906 0.590904 0.366248 0.038 Uiso 1 1 d DG . . . .
H2WA H 0.665572 1.183092 0.014432 0.038 Uiso 1 1 d DG . . . .
H2WB H 0.807774 1.244961 -0.086215 0.038 Uiso 1 1 d G . . . .
O3W O 0.3321(6) 1.0967(5) 0.1885(5) 0.0275(10) Uani 0.8 1 d . U P . .
O3W' O 0.415(2) 1.1404(19) 0.1265(19) 0.026(4) Uani 0.2 1 d . U P . .
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'
Br Br -0.2901 2.4595 '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
O11W Yb1 H12A 75.9 . . ?
O11W Yb1 H12B 83.2 . . ?
O11W Yb1 C12 88.56(10) . . ?
O11W Yb1 C16 114.07(10) . 2_766 ?
O11W Yb1 O26 114.33(10) . 2_765 ?
O12W Yb1 O11W 69.72(10) . . ?
O12W Yb1 H12A 17.6 . . ?
O12W Yb1 H12B 17.6 . . ?
O12W Yb1 O2 86.65(11) . . ?
O12W Yb1 O12 137.68(10) . . ?
O12W Yb1 O22 79.57(11) . . ?
O12W Yb1 O6 71.38(10) . 2_676 ?
O12W Yb1 C12 157.06(11) . . ?
O12W Yb1 C16 161.44(11) . 2_766 ?
O12W Yb1 O16 143.96(10) . 2_766 ?
O12W Yb1 O26 138.43(10) . 2_765 ?
H12A Yb1 H12B 29.3 . . ?
O13W Yb1 O11W 141.27(11) . . ?
O13W Yb1 O12W 82.58(11) . . ?
O13W Yb1 H12A 70.4 . . ?
O13W Yb1 H12B 76.7 . . ?
O13W Yb1 O2 133.92(10) . . ?
O13W Yb1 O12 136.16(11) . . ?
O13W Yb1 O22 76.31(10) . . ?
O13W Yb1 O6 67.56(10) . 2_676 ?
O13W Yb1 C12 120.11(11) . . ?
O13W Yb1 C16 100.88(11) . 2_766 ?
O13W Yb1 O16 88.31(11) . 2_766 ?
O13W Yb1 O26 70.04(10) . 2_765 ?
O2 Yb1 O11W 72.37(10) . . ?
O2 Yb1 H12A 104.2 . . ?
O2 Yb1 H12B 79.7 . . ?
O2 Yb1 O6 66.52(9) . 2_676 ?
O2 Yb1 C12 79.55(10) . . ?
O2 Yb1 C16 77.81(10) . 2_766 ?
O2 Yb1 O26 134.83(10) . 2_765 ?
O12 Yb1 O11W 68.27(10) . . ?
O12 Yb1 H12A 142.2 . . ?
O12 Yb1 H12B 147.1 . . ?
O12 Yb1 O2 76.25(10) . . ?
O12 Yb1 O22 92.55(10) . . ?
O12 Yb1 O6 131.29(10) . 2_676 ?
O12 Yb1 C12 20.42(10) . . ?
O12 Yb1 C16 47.92(10) . 2_766 ?
O12 Yb1 O16 67.77(10) . 2_766 ?
O12 Yb1 O26 67.01(10) . 2_765 ?
O22 Yb1 O11W 72.55(10) . . ?
O22 Yb1 H12A 65.0 . . ?
O22 Yb1 H12B 94.3 . . ?
O22 Yb1 O2 144.87(10) . . ?
O22 Yb1 O6 135.73(10) . 2_676 ?
O22 Yb1 C12 101.44(10) . . ?
O22 Yb1 C16 118.99(10) . 2_766 ?
O22 Yb1 O16 131.83(10) . 2_766 ?
O22 Yb1 O26 64.23(10) . 2_765 ?
O6 Yb1 O11W 123.91(10) 2_676 . ?
O6 Yb1 H12A 79.0 2_676 . ?
O6 Yb1 H12B 53.7 2_676 . ?
O6 Yb1 C12 118.29(10) 2_676 . ?
O6 Yb1 C16 92.91(10) 2_676 2_766 ?
O6 Yb1 O26 121.64(10) 2_676 2_765 ?
C12 Yb1 H12A 161.7 . . ?
C12 Yb1 H12B 159.2 . . ?
C12 Yb1 C16 28.09(10) . 2_766 ?
C16 Yb1 H12A 169.8 2_766 . ?
C16 Yb1 H12B 145.3 2_766 . ?
O16 Yb1 O11W 129.86(10) 2_766 . ?
O16 Yb1 H12A 149.7 2_766 . ?
O16 Yb1 H12B 126.4 2_766 . ?
O16 Yb1 O2 74.88(10) 2_766 . ?
O16 Yb1 O6 72.90(10) 2_766 2_676 ?
O16 Yb1 C12 48.56(10) 2_766 . ?
O16 Yb1 C16 20.66(10) 2_766 2_766 ?
O16 Yb1 O26 67.60(9) 2_766 2_765 ?
O26 Yb1 H12A 120.9 2_765 . ?
O26 Yb1 H12B 143.6 2_765 . ?
O26 Yb1 C12 56.97(10) 2_765 . ?
O26 Yb1 C16 58.29(10) 2_765 2_766 ?
Yb1 O11W H11A 107.2 . . ?
Yb1 O11W H11B 132.0 . . ?
H11A O11W H11B 107.0 . . ?
Yb1 O12W H12A 109.6 . . ?
Yb1 O12W H12B 109.2 . . ?
H12A O12W H12B 104.3 . . ?
Yb1 O13W H13A 132.1 . . ?
Yb1 O13W H13B 120.2 . . ?
H13A O13W H13B 107.1 . . ?
C2 O2 Yb1 121.3(3) . . ?
C12 O12 Yb1 119.3(3) . . ?
C22 O22 Yb1 124.7(3) . . ?
C2 C1 Br1 118.7(3) . . ?
C2 C1 C6 122.8(4) . . ?
C6 C1 Br1 118.5(3) . . ?
O2 C2 C1 126.5(4) . . ?
O2 C2 C6 115.5(4) . 2_676 ?
C1 C2 C6 117.9(4) . 2_676 ?
C1 C6 C2 119.3(4) . 2_676 ?
O6 C6 C1 125.7(4) . . ?
O6 C6 C2 115.0(4) . 2_676 ?
C6 O6 Yb1 121.5(3) . 2_676 ?
C12 C11 Br11 119.1(3) . . ?
C12 C11 C16 121.7(4) . . ?
C16 C11 Br11 119.2(3) . . ?
O12 C12 Yb1 40.28(19) . . ?
O12 C12 C11 124.6(4) . . ?
O12 C12 C16 115.0(4) . 2_766 ?
C11 C12 Yb1 160.3(3) . . ?
C11 C12 C16 120.4(4) . 2_766 ?
C16 C12 Yb1 76.6(2) 2_766 . ?
C11 C16 Yb1 165.0(3) . 2_766 ?
C11 C16 C12 117.8(4) . 2_766 ?
C12 C16 Yb1 75.3(2) 2_766 2_766 ?
O16 C16 Yb1 41.65(19) . 2_766 ?
O16 C16 C11 125.8(4) . . ?
O16 C16 C12 116.4(4) . 2_766 ?
C16 O16 Yb1 117.7(3) . 2_766 ?
C22 C21 Br21 119.2(3) . . ?
C26 C21 Br21 119.7(3) . . ?
C26 C21 C22 120.8(4) . . ?
O22 C22 C21 126.4(4) . . ?
O22 C22 C26 115.4(4) . 2_765 ?
C21 C22 C26 118.2(4) . 2_765 ?
C21 C26 C22 120.5(4) . 2_765 ?
O26 C26 C21 125.4(4) . . ?
O26 C26 C22 114.2(4) . 2_765 ?
C26 O26 Yb1 119.0(3) . 2_765 ?
H1WA O1W H1WB 109.4 . . ?
H2WA O2W H2WB 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 O11W 2.437(3) . ?
Yb1 O12W 2.305(3) . ?
Yb1 H12A 2.7251 . ?
Yb1 H12B 2.7207 . ?
Yb1 O13W 2.291(3) . ?
Yb1 O2 2.375(3) . ?
Yb1 O12 2.331(3) . ?
Yb1 O22 2.356(3) . ?
Yb1 O6 2.385(3) 2_676 ?
Yb1 C12 3.145(4) . ?
Yb1 C16 3.162(4) 2_766 ?
Yb1 O16 2.373(3) 2_766 ?
Yb1 O26 2.515(3) 2_765 ?
O11W H11A 0.8706 . ?
O11W H11B 0.8671 . ?
O12W H12A 0.8729 . ?
O12W H12B 0.8734 . ?
O13W H13A 0.9389 . ?
O13W H13B 0.9163 . ?
O2 C2 1.254(5) . ?
O12 C12 1.258(5) . ?
O22 C22 1.261(5) . ?
C1 Br1 1.894(4) . ?
C1 C2 1.388(6) . ?
C1 C6 1.394(6) . ?
C2 C6 1.543(6) 2_676 ?
C6 O6 1.246(5) . ?
C11 Br11 1.891(4) . ?
C11 C12 1.382(6) . ?
C11 C16 1.397(6) . ?
C12 C16 1.531(6) 2_766 ?
C16 O16 1.260(5) . ?
C21 Br21 1.890(4) . ?
C21 C22 1.396(6) . ?
C21 C26 1.393(6) . ?
C22 C26 1.533(6) 2_765 ?
C26 O26 1.252(5) . ?
O1W H1WA 0.8697 . ?
O1W H1WB 0.8715 . ?
O2W H2WA 0.8703 . ?
O2W H2WB 0.8699 . ?
O3W O3W' 0.860(18) . ?
