# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2020

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_exp_213
_database_code_depnum_ccdc_archive 'CCDC 2003648'
loop_
_audit_author_name
_audit_author_address
'Wen-Bin Chen'
;Guangzhou University
China
;
_audit_update_record             
;
2020-05-13 deposited with the CCDC.	2020-07-13 downloaded from the CCDC.
;
_audit_creation_date             2019-10-17
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C38 H44 N2 O20 Yb2, 6(H2 O)'
_chemical_formula_sum            'C38 H56 N2 O26 Yb2'
_chemical_formula_weight         1302.92
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Yb O C'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Yb Yb -7.2108 4.4329 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.1426(3)
_cell_length_b                   11.1018(5)
_cell_length_c                   12.3188(5)
_cell_angle_alpha                66.448(4)
_cell_angle_beta                 83.815(3)
_cell_angle_gamma                63.424(3)
_cell_volume                     1132.94(9)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    11341
_cell_measurement_temperature    99.99(10)
_cell_measurement_theta_max      76.5700
_cell_measurement_theta_min      3.9040
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    8.271
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.70872
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.25a (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.910
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             646
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0379
_diffrn_reflns_av_unetI/netI     0.0348
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.951
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            13242
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.951
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.892
_diffrn_reflns_theta_min         3.929
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      99.99(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.951
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     27.00  57.00   0.50    0.05    --   45.75 -67.00  13.00   60
  2  ω     15.00  95.00   0.50    0.05    --   45.75-125.00  30.00  160
  3  ω     33.00  58.00   0.50    0.05    --  106.06 -67.00  13.00   50
  4  ω     34.00  71.00   0.50    0.05    --  106.06 -61.00  60.00   74
  5  ω     36.00 113.00   0.50    0.05    --  106.06-125.00  90.00  154
  6  ω     78.00 114.00   0.50    0.05    --  106.06-125.00   0.00   72
  7  ω     56.00 108.00   0.50    0.05    --  106.06 -94.00 -30.00  104
  8  ω     65.00 116.00   0.50    0.05    --  106.06-125.00-150.00  102
  9  ω     67.00 106.00   0.50    0.05    --  106.06 -77.00-150.00   78
 10  ω     37.00  62.00   0.50    0.05    --  106.06 -61.00-180.00   50
 11  ω     34.00 104.00   0.50    0.05    --  106.06 -94.00-150.00  140
 12  ω     41.00  85.00   0.50    0.05    --  106.06-125.00 -30.00   88
 13  ω     33.00  66.00   0.50    0.05    --  106.06-125.00   0.00   66
 14  ω     58.00 117.00   0.50    0.05    --  106.06-125.00 150.00  118
 15  ω    120.00 175.00   0.50    0.05    --  106.06  45.00 -30.00  110
 16  ω    124.00 177.00   0.50    0.05    --  106.06  45.00  90.00  106
 17  ω    128.00 154.00   0.50    0.05    --  106.06  67.00 147.00   52
 18  ω     87.00 115.00   0.50    0.05    --  106.06  67.00 147.00   56
 19  ω     92.00 178.00   0.50    0.05    --  106.06  45.00  60.00  172
 20  ω     91.00 129.00   0.50    0.05    --  106.06  30.00-150.00   76
 21  ω     -7.00  22.00   0.50    0.05    --  -45.75  67.00 147.00   58
 22  ω    -23.00  17.00   0.50    0.05    --  -45.75  19.00 150.00   80
 23  ω    -65.00 -16.00   0.50    0.05    --  -45.75  67.00 147.00   98
 24  ω    -62.00 -35.00   0.50    0.05    -- -102.00  61.00  60.00   54
 25  ω    -66.00 -34.00   0.50    0.05    -- -102.00  61.00   0.00   64
 26  ω    -61.00 -36.00   0.50    0.05    -- -102.00  61.00 -30.00   50
 27  ω    -68.00 -43.00   0.50    0.05    -- -102.00  61.00 -90.00   50
 28  ω    -66.00 -35.00   0.50    0.05    -- -102.00  61.00-180.00   62
 29  ω   -112.00 -35.00   0.50    0.05    --  -45.75 -67.00  13.00  154
 30  ω   -113.00 -88.00   0.50    0.05    --  -45.75-125.00 150.00   50
 31  ω   -136.00-111.00   0.50    0.05    -- -102.00 -45.00 120.00   50
 32  ω   -158.00 -86.00   0.50    0.05    -- -102.00 -67.00  13.00  144
 33  ω   -171.00-141.00   0.50    0.05    -- -102.00 -45.00 120.00   60
 34  ω    -79.00 -29.00   0.50    0.05    -- -102.00  67.00 147.00  100
 35  ω    -84.00 -58.00   0.50    0.05    -- -102.00  77.00 120.00   52
 36  ω   -171.00 -90.00   0.50    0.05    -- -102.00 -45.00-120.00  162
 37  ω    -30.00   2.00   0.50    0.05    --   45.75 -19.00-150.00   64
 38  ω     27.00 119.00   0.50    0.05    --   45.75  67.00 147.00  184
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.1649774000
_diffrn_orient_matrix_UB_12      -0.0783210000
_diffrn_orient_matrix_UB_13      -0.0175684000
_diffrn_orient_matrix_UB_21      -0.0128403000
_diffrn_orient_matrix_UB_22      0.1417545000
_diffrn_orient_matrix_UB_23      -0.1038211000
_diffrn_orient_matrix_UB_31      0.0409825000
_diffrn_orient_matrix_UB_32      0.0479787000
_diffrn_orient_matrix_UB_33      0.0875458000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4391
_reflns_number_total             4540
_reflns_odcompleteness_completeness 99.95
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.25a (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.40.25a (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.40.25a (Rigaku OD, 2018)'
_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    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.923
_refine_diff_density_min         -1.626
_refine_diff_density_rms         0.146
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     312
_refine_ls_number_reflns         4540
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0314
_refine_ls_R_factor_gt           0.0307
_refine_ls_restrained_S_all      1.101
_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)+(0.0450P)²+2.8024P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0826
_refine_ls_wR_factor_ref         0.0832
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All O(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Riding coordinates:
 O10(H10A,H10B), O11(H11A,H11B), O12(H12A,H12B), O13(H13A,H13B)
2.b Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C12(H12), C13(H13), C14(H14), C17(H17)
2.c Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C16(H16A,H16B,H16C), C18(H18A,H18B,H18C), C19(H19A,H19B,H19C)
2.d Idealised tetrahedral OH refined as rotating group:
 O7(H7)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.13815(2) 0.56978(2) 0.46709(2) 0.01145(8) Uani 1 1 d . . . . .
O1 O 0.5398(4) 0.2467(4) 0.7067(4) 0.0450(10) Uani 1 1 d . . . . .
O2 O 0.3480(3) 0.4186(3) 0.5794(2) 0.0197(6) Uani 1 1 d . . . . .
O3 O 0.1027(3) 0.3689(3) 0.5888(2) 0.0139(5) Uani 1 1 d . . . . .
O4 O -0.0067(3) 0.1820(3) 0.6797(2) 0.0163(5) Uani 1 1 d . . . . .
O5 O 0.1612(3) 0.4549(3) 0.3389(2) 0.0169(5) Uani 1 1 d . . . . .
O6 O -0.0036(3) 0.3628(3) 0.3866(2) 0.0166(5) Uani 1 1 d . . . . .
O7 O -0.0812(3) 0.2860(3) 0.2457(2) 0.0189(5) Uani 1 1 d . . . . .
H7 H -0.0860 0.3055 0.3040 0.028 Uiso 1 1 calc GR . . . .
O8 O -0.0466(3) 0.2408(3) 0.0519(2) 0.0185(5) Uani 1 1 d . . . . .
O9 O 0.2081(3) 0.7245(3) 0.5078(2) 0.0175(5) Uani 1 1 d . . . . .
O10 O 0.3124(3) 0.5966(3) 0.3343(2) 0.0191(6) Uani 1 1 d . . . . .
H10A H 0.3622 0.6399 0.3310 0.023 Uiso 1 1 d R . . . .
H10B H 0.3155 0.5840 0.2721 0.023 Uiso 1 1 d R . . . .
N1 N 0.3459(4) 0.8230(4) 0.5401(3) 0.0215(7) Uani 1 1 d . . . . .
C1 C 0.3424(4) 0.1915(5) 0.6998(4) 0.0243(9) Uani 1 1 d . . . . .
C2 C 0.1949(4) 0.2367(4) 0.6642(3) 0.0158(7) Uani 1 1 d . . . . .
C3 C 0.1401(4) 0.1303(4) 0.7131(3) 0.0159(7) Uani 1 1 d . . . . .
C4 C 0.2272(5) -0.0136(5) 0.7871(4) 0.0265(9) Uani 1 1 d . . . . .
H4 H 0.1876 -0.0805 0.8173 0.032 Uiso 1 1 calc R . . . .
C5 C 0.3748(5) -0.0569(5) 0.8158(5) 0.0444(14) Uani 1 1 d . . . . .
H5 H 0.4357 -0.1541 0.8631 0.053 Uiso 1 1 calc R . . . .
C6 C 0.4304(5) 0.0439(5) 0.7744(5) 0.0412(14) Uani 1 1 d . . . . .
H6 H 0.5286 0.0143 0.7960 0.049 Uiso 1 1 calc R . . . .
C7 C 0.4127(5) 0.2932(5) 0.6596(4) 0.0239(9) Uani 1 1 d . . . . .
C8 C -0.0678(5) 0.0785(5) 0.7337(4) 0.0201(8) Uani 1 1 d . . . . .
H8A H -0.1705 0.1249 0.7063 0.030 Uiso 1 1 calc GR . . . .
H8B H -0.0581 0.0458 0.8186 0.030 Uiso 1 1 calc GR . . . .
H8C H -0.0153 -0.0040 0.7121 0.030 Uiso 1 1 calc GR . . . .
C9 C 0.1187(4) 0.3580(4) 0.2136(3) 0.0157(7) Uani 1 1 d . . . . .
C10 C 0.0294(4) 0.3090(4) 0.1813(3) 0.0153(7) Uani 1 1 d . . . . .
C11 C 0.0502(4) 0.2832(4) 0.0763(3) 0.0157(7) Uani 1 1 d . . . . .
C12 C 0.1624(4) 0.3028(4) 0.0068(3) 0.0185(8) Uani 1 1 d . . . . .
H12 H 0.1776 0.2841 -0.0618 0.022 Uiso 1 1 calc R . . . .
C13 C 0.2520(4) 0.3504(4) 0.0396(4) 0.0196(8) Uani 1 1 d . . . . .
H13 H 0.3267 0.3632 -0.0073 0.024 Uiso 1 1 calc R . . . .
C14 C 0.2304(4) 0.3786(4) 0.1411(3) 0.0177(7) Uani 1 1 d . . . . .
H14 H 0.2898 0.4114 0.1617 0.021 Uiso 1 1 calc R . . . .
C15 C 0.0912(4) 0.3950(4) 0.3206(3) 0.0146(7) Uani 1 1 d . . . . .
C16 C -0.0280(5) 0.2106(5) -0.0536(4) 0.0238(8) Uani 1 1 d . . . . .
H16A H -0.0403 0.2976 -0.1220 0.036 Uiso 1 1 calc GR . . . .
H16B H -0.1005 0.1805 -0.0609 0.036 Uiso 1 1 calc GR . . . .
H16C H 0.0694 0.1338 -0.0481 0.036 Uiso 1 1 calc GR . . . .
C17 C 0.3258(4) 0.7115(4) 0.5442(3) 0.0183(8) Uani 1 1 d . . . . .
H17 H 0.4039 0.6180 0.5760 0.022 Uiso 1 1 calc R . . . .
C18 C 0.2321(5) 0.9736(5) 0.4854(5) 0.0306(10) Uani 1 1 d . . . . .
H18A H 0.2563 1.0202 0.4071 0.046 Uiso 1 1 calc GR . . . .
H18B H 0.2268 1.0261 0.5329 0.046 Uiso 1 1 calc GR . . . .
H18C H 0.1382 0.9738 0.4802 0.046 Uiso 1 1 calc GR . . . .
C19 C 0.4876(5) 0.8010(6) 0.5814(5) 0.0343(11) Uani 1 1 d . . . . .
H19A H 0.4725 0.8412 0.6402 0.051 Uiso 1 1 calc GR . . . .
H19B H 0.5306 0.8493 0.5155 0.051 Uiso 1 1 calc GR . . . .
H19C H 0.5530 0.6980 0.6156 0.051 Uiso 1 1 calc GR . . . .
O11 O 0.6397(3) 0.3749(3) 1.1285(3) 0.0270(6) Uani 1 1 d . . . . .
H11A H 0.5674 0.4547 1.1264 0.032 Uiso 1 1 d R . . . .
H11B H 0.7143 0.3620 1.1644 0.032 Uiso 1 1 d R . . . .
O12 O 0.6126(4) 0.3830(4) 0.8965(3) 0.0399(9) Uani 1 1 d . . . . .
H12A H 0.6346 0.3624 0.9656 0.048 Uiso 1 1 d R . . . .
H12B H 0.6002 0.3156 0.8928 0.048 Uiso 1 1 d R . . . .
O13 O 0.6616(6) 0.1115(5) 0.9265(4) 0.0627(12) Uani 1 1 d . . . . .
H13A H 0.6312 0.0498 0.9833 0.075 Uiso 1 1 d R . . . .
H13B H 0.6031 0.1406 0.8629 0.075 Uiso 1 1 d R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 Yb1 3.6473(3) 2_566 ?
Yb1 O2 2.200(3) . ?
Yb1 O3 2.298(2) . ?
Yb1 O3 2.325(2) 2_566 ?
Yb1 O4 2.427(3) 2_566 ?
Yb1 O5 2.332(3) . ?
Yb1 O6 2.303(3) 2_566 ?
Yb1 O9 2.359(3) . ?
Yb1 O10 2.313(3) . ?
O1 C7 1.261(5) . ?
O2 C7 1.252(5) . ?
O3 Yb1 2.325(2) 2_566 ?
O3 C2 1.327(5) . ?
O4 Yb1 2.427(3) 2_566 ?
O4 C3 1.376(5) . ?
O4 C8 1.444(5) . ?
O5 C15 1.254(5) . ?
O6 Yb1 2.303(3) 2_566 ?
O6 C15 1.272(5) . ?
O7 C10 1.361(5) . ?
O8 C11 1.366(5) . ?
O8 C16 1.440(5) . ?
O9 C17 1.247(5) . ?
N1 C17 1.323(5) . ?
N1 C18 1.456(6) . ?
N1 C19 1.459(5) . ?
C1 C2 1.405(6) . ?
C1 C6 1.411(6) . ?
C1 C7 1.493(6) . ?
C2 C3 1.420(5) . ?
C3 C4 1.382(6) . ?
C4 C5 1.390(6) . ?
C5 C6 1.370(7) . ?
C9 C10 1.402(5) . ?
C9 C14 1.409(5) . ?
C9 C15 1.496(5) . ?
C10 C11 1.408(5) . ?
C11 C12 1.393(6) . ?
C12 C13 1.396(6) . ?
C13 C14 1.378(6) . ?

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 Yb1 113.84(7) . 2_566 ?
O2 Yb1 O3 75.68(10) . . ?
O2 Yb1 O3 151.47(10) . 2_566 ?
O2 Yb1 O4 142.15(9) . 2_566 ?
O2 Yb1 O5 100.21(10) . . ?
O2 Yb1 O6 95.85(10) . 2_566 ?
O2 Yb1 O9 75.99(10) . . ?
O2 Yb1 O10 77.46(10) . . ?
O3 Yb1 Yb1 37.64(6) 2_566 2_566 ?
O3 Yb1 Yb1 38.17(6) . 2_566 ?
O3 Yb1 O3 75.81(10) . 2_566 ?
O3 Yb1 O4 66.11(9) 2_566 2_566 ?
O3 Yb1 O4 141.63(9) . 2_566 ?
O3 Yb1 O5 78.08(9) . . ?
O3 Yb1 O5 74.67(9) 2_566 . ?
O3 Yb1 O6 75.58(9) . 2_566 ?
O3 Yb1 O9 124.32(9) 2_566 . ?
O3 Yb1 O9 132.22(9) . . ?
O3 Yb1 O10 132.34(10) . . ?
O4 Yb1 Yb1 103.64(6) 2_566 2_566 ?
O5 Yb1 Yb1 72.63(6) . 2_566 ?
O5 Yb1 O4 95.64(9) . 2_566 ?
O5 Yb1 O9 144.72(9) . . ?
O6 Yb1 Yb1 71.97(6) 2_566 2_566 ?
O6 Yb1 O3 76.15(9) 2_566 2_566 ?
O6 Yb1 O4 90.57(9) 2_566 2_566 ?
O6 Yb1 O5 144.54(9) 2_566 . ?
O6 Yb1 O9 69.99(9) 2_566 . ?
O6 Yb1 O10 146.07(9) 2_566 . ?
O9 Yb1 Yb1 141.51(7) . 2_566 ?
O9 Yb1 O4 71.34(9) . 2_566 ?
O10 Yb1 Yb1 141.30(7) . 2_566 ?
O10 Yb1 O3 123.97(9) . 2_566 ?
O10 Yb1 O4 76.63(10) . 2_566 ?
O10 Yb1 O5 68.88(9) . . ?
O10 Yb1 O9 76.14(9) . . ?
C7 O2 Yb1 142.1(3) . . ?
Yb1 O3 Yb1 104.19(10) . 2_566 ?
C2 O3 Yb1 132.0(2) . . ?
C2 O3 Yb1 123.3(2) . 2_566 ?
C3 O4 Yb1 118.9(2) . 2_566 ?
C3 O4 C8 115.6(3) . . ?
C8 O4 Yb1 125.5(2) . 2_566 ?
C15 O5 Yb1 133.7(2) . . ?
C15 O6 Yb1 135.4(2) . 2_566 ?
C11 O8 C16 116.8(3) . . ?
C17 O9 Yb1 134.8(3) . . ?
C17 N1 C18 121.5(3) . . ?
C17 N1 C19 121.1(4) . . ?
C18 N1 C19 117.2(4) . . ?
C2 C1 C6 119.7(4) . . ?
C2 C1 C7 122.6(4) . . ?
C6 C1 C7 117.7(4) . . ?
O3 C2 C1 126.2(4) . . ?
O3 C2 C3 117.1(3) . . ?
C1 C2 C3 116.7(4) . . ?
O4 C3 C2 114.4(3) . . ?
O4 C3 C4 122.8(3) . . ?
C4 C3 C2 122.8(4) . . ?
C3 C4 C5 119.0(4) . . ?
C6 C5 C4 119.9(4) . . ?
C5 C6 C1 121.6(4) . . ?
O1 C7 C1 117.7(4) . . ?
O2 C7 O1 122.0(4) . . ?
O2 C7 C1 120.3(4) . . ?
C10 C9 C14 119.3(3) . . ?
C10 C9 C15 120.4(3) . . ?
C14 C9 C15 120.2(3) . . ?
O7 C10 C9 123.5(3) . . ?
O7 C10 C11 116.5(3) . . ?
C9 C10 C11 120.0(3) . . ?
O8 C11 C10 114.8(3) . . ?
O8 C11 C12 125.6(3) . . ?
C12 C11 C10 119.6(3) . . ?
C11 C12 C13 120.3(3) . . ?
C14 C13 C12 120.4(4) . . ?
C13 C14 C9 120.4(4) . . ?
O5 C15 O6 124.9(3) . . ?
O5 C15 C9 118.7(3) . . ?
O6 C15 C9 116.4(3) . . ?
O9 C17 N1 123.8(4) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.515
_oxdiff_exptl_absorpt_empirical_full_min 0.755
# start Validation Reply Form
_vrf_PLAT420_exp_213             
;
PROBLEM: D-H Without Acceptor       O13      --H13A     .     Please Check 
RESPONSE: The H13A has an acceptor (C5). The H13A and C5 atom coming from another molecular can form intermolecular hydrogen bonds interactions with O13...C5 distance of 2.999  and O13-H13A...C5 angles of 115.25?\~a
;
# end Validation Reply Form
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_zl-2019-7-8-12
_database_code_depnum_ccdc_archive 'CCDC 2003649'
loop_
_audit_author_name
_audit_author_address
'Wen-Bin Chen'
;Guangzhou University
China
;
_audit_update_record             
;
2020-05-13 deposited with the CCDC.	2020-07-13 downloaded from the CCDC.
;
_audit_creation_date             2019-10-17
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.5(C64 H56 O32 Yb2), H4 N'
_chemical_formula_sum            'C32 H32 N O16 Yb'
_chemical_formula_weight         859.62
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Yb Yb -7.2108 4.4329 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           37
_space_group_name_H-M_alt        'C c c 2'
_space_group_name_Hall           'C 2 -2c'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'x, -y, z+1/2'
'-x, y, z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, z+1/2'

_cell_length_a                   16.4187(2)
_cell_length_b                   20.1923(2)
_cell_length_c                   9.55490(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3167.75(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    12175
_cell_measurement_temperature    100.00(13)
_cell_measurement_theta_max      76.9310
_cell_measurement_theta_min      3.4480
_shelx_estimated_absorpt_T_max   0.583
_shelx_estimated_absorpt_T_min   0.458
_exptl_absorpt_coefficient_mu    6.179
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.77173
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.25a (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.802
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1716
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.098
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0563
_diffrn_reflns_av_unetI/netI     0.0373
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            18209
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.972
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         77.112
_diffrn_reflns_theta_min         3.469
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(13)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -119.00 -91.00   0.50    0.05    --  -45.87 -28.00-151.00   56
  2  ω     75.00 122.00   0.50    0.05    --   45.87  28.00  10.00   94
  3  ω    -28.00  31.00   0.50    0.05    --   45.87 -28.00-151.00  118
  4  ω     33.00  65.00   0.50    0.05    --   45.87  28.00  10.00   64
  5  ω   -174.00-104.00   0.50    0.17    -- -102.00 -28.00-151.00  140
  6  ω     91.00 177.00   0.50    0.17    --  106.06  28.00  10.00  172
  7  ω     -2.00  27.00   0.50    0.05    --  -45.87  28.00  10.00   58
  8  ω   -113.00 -82.00   0.50    0.05    --  -45.87-125.00 -30.00   62
  9  ω   -114.00 -36.00   0.50    0.05    --  -45.87 -57.00 -90.00  156
 10  ω    -62.00  12.00   0.50    0.05    --  -45.87  57.00  60.00  148
 11  ω     37.00  82.00   0.50    0.05    --   45.87-125.00 -90.00   90
 12  ω     -6.00  27.00   0.50    0.05    --   45.87 -19.00  60.00   66
 13  ω    -69.00 -35.00   0.50    0.17    -- -102.00  61.00-150.00   68
 14  ω    -63.00 -32.00   0.50    0.17    -- -102.00  77.00-150.00   62
 15  ω   -103.00 -52.00   0.50    0.17    -- -102.00  77.00  30.00  102
 16  ω    -74.00 -42.00   0.50    0.17    -- -102.00   0.00  60.00   64
 17  ω    -97.00 -67.00   0.50    0.17    -- -102.00  77.00-150.00   60
 18  ω   -174.00-103.00   0.50    0.17    -- -102.00 -45.00 150.00  142
 19  ω   -115.00 -64.00   0.50    0.17    -- -102.00 125.00  30.00  102
 20  ω   -163.00-113.00   0.50    0.17    -- -102.00   0.00  60.00  100
 21  ω   -103.00 -50.00   0.50    0.17    -- -102.00  77.00 -90.00  106
 22  ω     41.00  69.00   0.50    0.17    --  106.06 -61.00 -30.00   56
 23  ω     34.00  76.00   0.50    0.17    --  106.06-125.00  90.00   84
 24  ω     38.00  64.00   0.50    0.17    --  106.06-125.00 -30.00   52
 25  ω     45.00  72.00   0.50    0.17    --  106.06 -61.00  30.00   54
 26  ω     63.00 104.00   0.50    0.17    --  106.06 -94.00 -30.00   82
 27  ω    103.00 140.00   0.50    0.17    --  106.06  30.00  90.00   74
 28  ω     70.00  96.00   0.50    0.17    --  106.06 -94.00-180.00   52
 29  ω     34.00 115.00   0.50    0.17    --  106.06-125.00 150.00  162
 30  ω     35.00  67.00   0.50    0.17    --  106.06 -61.00-150.00   64
 31  ω     35.00 100.00   0.50    0.17    --  106.06-125.00 -60.00  130
 32  ω     83.00 116.00   0.50    0.17    --  106.06-125.00 -30.00   66
 33  ω     33.00  58.00   0.50    0.17    --  106.06 -94.00 -30.00   50
 34  ω     33.00  67.00   0.50    0.17    --  106.06 -61.00 -90.00   68
 35  ω     92.00 117.00   0.50    0.17    --  106.06-125.00  90.00   50
 36  ω     90.00 132.00   0.50    0.17    --  106.06  15.00 -60.00   84
 37  ω     87.00 116.00   0.50    0.17    --  106.06-125.00 -90.00   58
 38  ω     38.00  85.00   0.50    0.17    --  106.06 -77.00 120.00   94
 39  ω    139.00 165.00   0.50    0.17    --  106.06  15.00 -60.00   52
 40  ω     43.00  73.00   0.50    0.17    --  106.06 -61.00  60.00   60
 41  ω     37.00  67.00   0.50    0.17    --  106.06 -61.00   0.00   60
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0548319500
_diffrn_orient_matrix_UB_12      -0.0403118500
_diffrn_orient_matrix_UB_13      0.0993596000
_diffrn_orient_matrix_UB_21      -0.0574584000
_diffrn_orient_matrix_UB_22      0.0161038000
_diffrn_orient_matrix_UB_23      0.1228256000
_diffrn_orient_matrix_UB_31      -0.0499293500
_diffrn_orient_matrix_UB_32      -0.0627452500
_diffrn_orient_matrix_UB_33      -0.0323171000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.842
_reflns_Friedel_fraction_full    0.990
_reflns_Friedel_fraction_max     0.951
_reflns_number_gt                3107
_reflns_number_total             3261
_reflns_odcompleteness_completeness 100.00
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.25a (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.40.25a (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.40.25a (Rigaku OD, 2018)'
_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    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.622
_refine_diff_density_min         -1.179
_refine_diff_density_rms         0.120
_refine_ls_abs_structure_details 
;
 Flack x determined using 1320 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.013(12)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.194
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     231
_refine_ls_number_reflns         3261
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0285
_refine_ls_R_factor_gt           0.0273
_refine_ls_restrained_S_all      1.194
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0451P)²+1.2632P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0812
_refine_ls_wR_factor_ref         0.0822
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Riding coordinates:
 N1(H1A,H1B)
2.b Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C12(H12), C13(H13), C14(H14)
2.c Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C16(H16A,H16B,H16C)
2.d Idealised tetrahedral OH refined as rotating group:
 O3(H3), O7(H7)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
Yb Yb 0.5000 0.5000 0.67624(16) 0.00775(13) Uani 1 2 d S T P . .
O1 O 0.6400(3) 0.49150(19) 0.7531(5) 0.0124(9) Uani 1 1 d . . . . .
O2 O 0.6116(2) 0.55375(15) 0.5707(4) 0.0114(6) Uani 1 1 d . . . . .
O3 O 0.7219(2) 0.61952(16) 0.4454(4) 0.0156(7) Uani 1 1 d . . . . .
H3 H 0.6767 0.6028 0.4544 0.023 Uiso 1 1 calc GR . . . .
O4 O 0.8743(2) 0.64749(18) 0.4080(4) 0.0195(8) Uani 1 1 d . . . . .
O5 O 0.4895(2) 0.4213(2) 0.8376(5) 0.0137(9) Uani 1 1 d . . . . .
O6 O 0.4450(2) 0.41128(15) 1.0565(4) 0.0131(7) Uani 1 1 d . . . . .
O7 O 0.3838(2) 0.30080(17) 1.1396(3) 0.0152(8) Uani 1 1 d . . . . .
H7 H 0.4042 0.3376 1.1494 0.023 Uiso 1 1 calc GR . . . .
O8 O 0.3202(2) 0.18754(16) 1.0775(4) 0.0185(8) Uani 1 1 d . . . . .
C1 C 0.7513(3) 0.5467(2) 0.6410(5) 0.0131(9) Uani 1 1 d . . . . .
C2 C 0.7749(3) 0.5897(2) 0.5337(5) 0.0117(9) Uani 1 1 d . . . . .
C3 C 0.8585(3) 0.6040(2) 0.5154(6) 0.0151(10) Uani 1 1 d . . . . .
C4 C 0.9161(3) 0.5744(3) 0.6005(6) 0.0171(10) Uani 1 1 d . . . . .
H4 H 0.9712 0.5824 0.5858 0.021 Uiso 1 1 calc R . . . .
C5 C 0.8911(3) 0.5326(2) 0.7089(6) 0.0179(11) Uani 1 1 d . . . . .
H5 H 0.9297 0.5135 0.7675 0.021 Uiso 1 1 calc R . . . .
C6 C 0.8094(3) 0.5194(3) 0.7293(6) 0.0150(9) Uani 1 1 d . . . . .
H6 H 0.7932 0.4921 0.8027 0.018 Uiso 1 1 calc R . . . .
C7 C 0.6636(3) 0.5294(2) 0.6582(5) 0.0108(9) Uani 1 1 d . . . . .
C8 C 0.9577(3) 0.6639(3) 0.3833(7) 0.0279(14) Uani 1 1 d . . . . .
H8A H 0.9612 0.6946 0.3069 0.042 Uiso 1 1 calc GR . . . .
H8B H 0.9875 0.6244 0.3606 0.042 Uiso 1 1 calc GR . . . .
H8C H 0.9804 0.6837 0.4659 0.042 Uiso 1 1 calc GR . . . .
C9 C 0.4140(3) 0.3254(2) 0.8955(5) 0.0110(9) Uani 1 1 d . . . . .
C10 C 0.3825(3) 0.2848(2) 1.0020(5) 0.0119(9) Uani 1 1 d . . . . .
C11 C 0.3473(3) 0.2235(2) 0.9657(5) 0.0148(10) Uani 1 1 d . . . . .
C12 C 0.3421(3) 0.2041(2) 0.8275(5) 0.0140(10) Uani 1 1 d . . . . .
H12 H 0.3190 0.1635 0.8045 0.017 Uiso 1 1 calc R . . . .
C13 C 0.3718(3) 0.2459(2) 0.7220(6) 0.0154(10) Uani 1 1 d . . . . .
H13 H 0.3668 0.2335 0.6287 0.019 Uiso 1 1 calc R . . . .
C14 C 0.4083(3) 0.3056(2) 0.7556(5) 0.0152(10) Uani 1 1 d . . . . .
H14 H 0.4291 0.3325 0.6851 0.018 Uiso 1 1 calc R . . . .
C15 C 0.4523(3) 0.3906(2) 0.9315(6) 0.0110(8) Uani 1 1 d . . . . .
C16 C 0.2890(3) 0.1224(2) 1.0523(7) 0.0210(11) Uani 1 1 d . . . . .
H16A H 0.2443 0.1249 0.9877 0.032 Uiso 1 1 calc GR . . . .
H16B H 0.2705 0.1035 1.1388 0.032 Uiso 1 1 calc GR . . . .
H16C H 0.3312 0.0952 1.0134 0.032 Uiso 1 1 calc GR . . . .
N1 N 0.7500 0.7500 0.3187(6) 0.0156(12) Uani 1 2 d S T P . .
H1A H 0.7624 0.7151 0.3727 0.019 Uiso 1 1 d R . . . .
H1B H 0.7019 0.7451 0.2757 0.019 Uiso 1 1 d R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Yb O1 2.420(5) 2_665 ?
Yb O1 2.420(5) . ?
Yb O2 2.356(3) . ?
Yb O2 2.356(3) 2_665 ?
Yb O5 2.221(5) . ?
Yb O5 2.221(5) 2_665 ?
Yb O6 2.309(3) 3_564 ?
Yb O6 2.309(3) 4_654 ?
Yb C7 2.756(4) 2_665 ?
Yb C7 2.756(4) . ?
O1 C7 1.248(7) . ?
O2 C7 1.292(6) . ?
O3 C2 1.353(6) . ?
O4 C3 1.376(6) . ?
O4 C8 1.428(7) . ?
O5 C15 1.250(7) . ?
O6 Yb 2.309(3) 3_565 ?
O6 C15 1.271(7) . ?
O7 C10 1.354(6) . ?
O8 C11 1.366(6) . ?
O8 C16 1.432(6) . ?
C1 C2 1.398(7) . ?
C1 C6 1.388(7) . ?
C1 C7 1.491(7) . ?
C2 C3 1.413(7) . ?
C3 C4 1.383(7) . ?
C4 C5 1.398(8) . ?
C5 C6 1.381(8) . ?
C9 C10 1.405(7) . ?
C9 C14 1.399(7) . ?
C9 C15 1.499(6) . ?
C10 C11 1.409(7) . ?
C11 C12 1.380(7) . ?
C12 C13 1.402(7) . ?
C13 C14 1.383(7) . ?

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
O1 Yb O1 144.7(2) 2_665 . ?
O1 Yb C7 26.91(15) 2_665 2_665 ?
O1 Yb C7 158.37(14) . 2_665 ?
O1 Yb C7 158.37(14) 2_665 . ?
O1 Yb C7 26.91(15) . . ?
O2 Yb O1 54.80(13) 2_665 2_665 ?
O2 Yb O1 146.73(12) . 2_665 ?
O2 Yb O1 54.80(13) . . ?
O2 Yb O1 146.73(12) 2_665 . ?
O2 Yb O2 129.33(19) . 2_665 ?
O2 Yb C7 27.89(14) . . ?
O2 Yb C7 146.14(15) . 2_665 ?
O2 Yb C7 146.14(15) 2_665 . ?
O2 Yb C7 27.89(14) 2_665 2_665 ?
O5 Yb O1 79.17(14) 2_665 2_665 ?
O5 Yb O1 76.50(15) . 2_665 ?
O5 Yb O1 79.17(14) . . ?
O5 Yb O1 76.50(15) 2_665 . ?
O5 Yb O2 84.69(14) 2_665 . ?
O5 Yb O2 133.38(13) 2_665 2_665 ?
O5 Yb O2 133.38(13) . . ?
O5 Yb O2 84.68(14) . 2_665 ?
O5 Yb O5 92.1(2) 2_665 . ?
O5 Yb O6 79.58(15) . 4_654 ?
O5 Yb O6 150.32(14) 2_665 4_654 ?
O5 Yb O6 150.32(14) . 3_564 ?
O5 Yb O6 79.58(15) 2_665 3_564 ?
O5 Yb C7 105.85(15) 2_665 2_665 ?
O5 Yb C7 79.26(15) . 2_665 ?
O5 Yb C7 105.85(15) . . ?
O5 Yb C7 79.26(15) 2_665 . ?
O6 Yb O1 73.98(13) 3_564 2_665 ?
O6 Yb O1 125.22(13) 4_654 2_665 ?
O6 Yb O1 125.22(13) 3_564 . ?
O6 Yb O1 73.98(13) 4_654 . ?
O6 Yb O2 74.60(12) 4_654 2_665 ?
O6 Yb O2 80.88(12) 4_654 . ?
O6 Yb O2 74.60(12) 3_564 . ?
O6 Yb O2 80.88(12) 3_564 2_665 ?
O6 Yb O6 120.60(19) 4_654 3_564 ?
O6 Yb C7 75.85(13) 3_564 2_665 ?
O6 Yb C7 100.52(13) 4_654 2_665 ?
O6 Yb C7 100.52(13) 3_564 . ?
O6 Yb C7 75.85(13) 4_654 . ?
C7 Yb C7 172.8(2) . 2_665 ?
C7 O1 Yb 91.7(3) . . ?
C7 O2 Yb 93.6(3) . . ?
C3 O4 C8 116.9(4) . . ?
C15 O5 Yb 152.9(4) . . ?
C15 O6 Yb 133.1(3) . 3_565 ?
C11 O8 C16 118.3(4) . . ?
C2 C1 C7 119.6(4) . . ?
C6 C1 C2 120.2(5) . . ?
C6 C1 C7 120.2(5) . . ?
O3 C2 C1 123.8(4) . . ?
O3 C2 C3 117.1(4) . . ?
C1 C2 C3 119.1(4) . . ?
O4 C3 C2 114.0(4) . . ?
O4 C3 C4 125.8(5) . . ?
C4 C3 C2 120.2(5) . . ?
C3 C4 C5 119.7(5) . . ?
C6 C5 C4 120.4(5) . . ?
C5 C6 C1 120.3(5) . . ?
O1 C7 Yb 61.3(3) . . ?
O1 C7 O2 119.9(4) . . ?
O1 C7 C1 121.5(5) . . ?
O2 C7 Yb 58.5(2) . . ?
O2 C7 C1 118.6(4) . . ?
C1 C7 Yb 177.0(4) . . ?
C10 C9 C15 120.1(4) . . ?
C14 C9 C10 120.0(4) . . ?
C14 C9 C15 119.9(4) . . ?
O7 C10 C9 123.9(4) . . ?
O7 C10 C11 117.0(4) . . ?
C9 C10 C11 119.0(5) . . ?
O8 C11 C10 114.1(4) . . ?
O8 C11 C12 125.2(4) . . ?
C12 C11 C10 120.7(5) . . ?
C11 C12 C13 119.7(4) . . ?
C14 C13 C12 120.6(5) . . ?
C13 C14 C9 120.0(5) . . ?
O5 C15 O6 123.9(5) . . ?
O5 C15 C9 118.4(5) . . ?
O6 C15 C9 117.7(4) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.392
_oxdiff_exptl_absorpt_empirical_full_min 0.390
