#------------------------------------------------------------------------------
#$Date: 2021-01-07 06:40:29 +0200 (Thu, 07 Jan 2021) $
#$Revision: 260640 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/71/7127109.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_7127109
loop_
_publ_author_name
'Borah, Aditya'
'Dey, Sourav'
'Gupta, Sandeep K.'
'Walawalkar, Mrinalini G.'
'Rajaraman, Gopalan'
'Murugavel, Ramaswamy'
_publ_section_title
;
 Enhancing the barrier height for Yb(III) single-ion magnets by modulating
 axial ligand fields.
;
_journal_issue                   79
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              11879
_journal_page_last               11882
_journal_paper_doi               10.1039/d0cc01370f
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C72 H60 N2 O10 P4 Yb, C2 H6 O, N O3'
_chemical_formula_sum            'C74 H66 N3 O14 P4 Yb'
_chemical_formula_weight         1518.21
_space_group_crystal_system      orthorhombic
_space_group_IT_number           56
_space_group_name_Hall           '-P 2ab 2ac'
_space_group_name_H-M_alt        'P c c n'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-08-08 deposited with the CCDC.	2020-08-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.9815(4)
_cell_length_b                   16.5996(3)
_cell_length_c                   26.6002(6)
_cell_measurement_reflns_used    20215
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      31.1410
_cell_measurement_theta_min      1.8420
_cell_volume                     7056.7(3)
_computing_cell_refinement       'CrysAlisPro 1.171.39.32a (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.32a (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.32a (Rigaku OD, 2017)'
_computing_molecular_graphics    'OLEX2 (Dolomanov et al., 2009)'
_computing_publication_material  'DIAMOND (Crystal Impact GbR, 2005)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type
'dtrek-CrysAlisPro-abstract goniometer imported rigaku-d*trek images'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0550
_diffrn_reflns_av_unetI/netI     0.0359
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            32667
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        24.996
_diffrn_reflns_theta_max         24.996
_diffrn_reflns_theta_min         2.340
_diffrn_source                   'fine-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    1.482
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.72646
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.32a (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.429
_exptl_crystal_description       block
_exptl_crystal_F_000             3092
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.301
_refine_diff_density_min         -0.746
_refine_diff_density_rms         0.125
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     461
_refine_ls_number_reflns         6204
_refine_ls_number_restraints     22
_refine_ls_restrained_S_all      1.091
_refine_ls_R_factor_all          0.0486
_refine_ls_R_factor_gt           0.0377
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0453P)²+14.7378P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0936
_refine_ls_wR_factor_ref         0.1008
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5125
_reflns_number_total             6204
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0cc01370f2.cif
_cod_data_source_block           Yb_1
_cod_depositor_comments
'Adding full bibliography for 7127109--7127111.cif.'
_cod_database_code               7127109
_shelx_shelxl_version_number     2014/7
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'-x, y+1/2, -z+1/2'
'x+1/2, -y, -z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'x, -y-1/2, z-1/2'
'-x-1/2, y, z-1/2'
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 0.2500 0.7500 0.70714(2) 0.01751(9) Uani 1 2 d S T P . .
P1 P 0.09207(7) 0.72213(6) 0.80745(4) 0.0234(2) Uani 1 1 d . . . . .
P2 P 0.41004(7) 0.67196(6) 0.61815(4) 0.0228(2) Uani 1 1 d . . . . .
O1 O 0.15296(18) 0.74110(16) 0.76622(10) 0.0253(6) Uani 1 1 d . . . . .
O2 O 0.33584(17) 0.69996(16) 0.64806(10) 0.0261(6) Uani 1 1 d . . . . .
O3 O 0.17299(18) 0.63513(16) 0.67702(10) 0.0265(6) Uani 1 1 d . . . . .
O4 O 0.26698(17) 0.61005(17) 0.73313(11) 0.0270(7) Uani 1 1 d . . . . .
O5 O 0.1950(2) 0.51146(18) 0.70058(13) 0.0427(8) Uani 1 1 d . . . . .
N1 N 0.2111(2) 0.5828(2) 0.70363(12) 0.0256(8) Uani 1 1 d . . . . .
C1 C 0.0543(3) 0.8144(3) 0.83495(15) 0.0271(9) Uani 1 1 d . . . . .
C2 C 0.1098(3) 0.8790(3) 0.83858(19) 0.0414(12) Uani 1 1 d . . . . .
H2 H 0.1662 0.8729 0.8279 0.050 Uiso 1 1 calc R U . . .
C3 C 0.0828(4) 0.9516(3) 0.8576(2) 0.0528(14) Uani 1 1 d . . . . .
H3 H 0.1208 0.9953 0.8606 0.063 Uiso 1 1 calc R U . . .
C4 C -0.0003(4) 0.9612(3) 0.87256(18) 0.0485(14) Uani 1 1 d . . . . .
H4 H -0.0195 1.0119 0.8845 0.058 Uiso 1 1 calc R U . . .
C5 C -0.0532(3) 0.8978(3) 0.86996(18) 0.0449(13) Uani 1 1 d . . . . .
H5 H -0.1094 0.9040 0.8810 0.054 Uiso 1 1 calc R U . . .
C6 C -0.0269(3) 0.8237(3) 0.85140(16) 0.0368(11) Uani 1 1 d . . . . .
H6 H -0.0647 0.7797 0.8501 0.044 Uiso 1 1 calc R U . . .
C7 C 0.0044(3) 0.6660(2) 0.78419(15) 0.0260(9) Uani 1 1 d . . . . .
C8 C -0.0133(3) 0.6682(3) 0.73293(16) 0.0327(10) Uani 1 1 d . . . . .
H8 H 0.0211 0.6984 0.7108 0.039 Uiso 1 1 calc R U . . .
C9 C -0.0810(3) 0.6262(3) 0.71469(19) 0.0439(13) Uani 1 1 d . . . . .
H9 H -0.0932 0.6279 0.6797 0.053 Uiso 1 1 calc R U . . .
C10 C -0.1317(3) 0.5816(3) 0.7463(2) 0.0424(12) Uani 1 1 d . . . . .
H10 H -0.1783 0.5529 0.7332 0.051 Uiso 1 1 calc R U . . .
C11 C -0.1139(3) 0.5792(3) 0.79670(19) 0.0428(13) Uani 1 1 d . . . . .
H11 H -0.1483 0.5484 0.8186 0.051 Uiso 1 1 calc R U . . .
C12 C -0.0465(3) 0.6211(3) 0.81596(18) 0.0359(11) Uani 1 1 d . . . . .
H12 H -0.0349 0.6193 0.8510 0.043 Uiso 1 1 calc R U . . .
C13 C 0.1371(3) 0.6618(3) 0.85704(15) 0.0272(9) Uani 1 1 d . . . . .
C14 C 0.1541(3) 0.5810(3) 0.84758(17) 0.0338(10) Uani 1 1 d . . . . .
H14 H 0.1424 0.5588 0.8154 0.041 Uiso 1 1 calc R U . . .
C15 C 0.1880(3) 0.5326(3) 0.88487(18) 0.0427(12) Uani 1 1 d . . . . .
H15 H 0.2001 0.4776 0.8783 0.051 Uiso 1 1 calc R U . . .
C16 C 0.2040(4) 0.5654(3) 0.9317(2) 0.0500(14) Uani 1 1 d . . . . .
H16 H 0.2266 0.5324 0.9575 0.060 Uiso 1 1 calc R U . . .
C17 C 0.1875(4) 0.6451(4) 0.94133(19) 0.0535(15) Uani 1 1 d . . . . .
H17 H 0.1995 0.6671 0.9735 0.064 Uiso 1 1 calc R U . . .
C18 C 0.1534(3) 0.6936(3) 0.90409(17) 0.0428(12) Uani 1 1 d . . . . .
H18 H 0.1412 0.7485 0.9109 0.051 Uiso 1 1 calc R U . . .
C19 C 0.3915(3) 0.5744(2) 0.59089(14) 0.0248(9) Uani 1 1 d . . . . .
C20 C 0.3100(3) 0.5467(3) 0.58437(16) 0.0328(10) Uani 1 1 d . . . . .
H20 H 0.2641 0.5791 0.5947 0.039 Uiso 1 1 calc R U . . .
C21 C 0.2957(3) 0.4719(3) 0.56276(19) 0.0443(12) Uani 1 1 d . . . . .
H21 H 0.2401 0.4527 0.5588 0.053 Uiso 1 1 calc R U . . .
C22 C 0.3627(4) 0.4252(3) 0.54699(17) 0.0427(13) Uani 1 1 d . . . . .
H22 H 0.3528 0.3744 0.5317 0.051 Uiso 1 1 calc R U . . .
C23 C 0.4432(3) 0.4522(3) 0.55340(16) 0.0355(11) Uani 1 1 d . . . . .
H23 H 0.4888 0.4199 0.5426 0.043 Uiso 1 1 calc R U . . .
C24 C 0.4584(3) 0.5260(3) 0.57547(15) 0.0310(10) Uani 1 1 d . . . . .
H24 H 0.5143 0.5439 0.5802 0.037 Uiso 1 1 calc R U . . .
C25 C 0.5017(3) 0.6590(2) 0.65641(15) 0.0263(9) Uani 1 1 d . . . . .
C26 C 0.4905(3) 0.6133(3) 0.70033(15) 0.0315(10) Uani 1 1 d . . . . .
H26 H 0.4367 0.5933 0.7088 0.038 Uiso 1 1 calc R U . . .
C27 C 0.5582(3) 0.5974(3) 0.73129(18) 0.0389(11) Uani 1 1 d . . . . .
H27 H 0.5509 0.5660 0.7608 0.047 Uiso 1 1 calc R U . . .
C28 C 0.6359(3) 0.6273(3) 0.7192(2) 0.0455(13) Uani 1 1 d . . . . .
H28 H 0.6821 0.6172 0.7407 0.055 Uiso 1 1 calc R U . . .
C29 C 0.6471(3) 0.6720(3) 0.6756(2) 0.0502(14) Uani 1 1 d . . . . .
H29 H 0.7012 0.6916 0.6673 0.060 Uiso 1 1 calc R U . . .
C30 C 0.5799(3) 0.6885(3) 0.64411(18) 0.0378(11) Uani 1 1 d . . . . .
H30 H 0.5876 0.7197 0.6145 0.045 Uiso 1 1 calc R U . . .
C31 C 0.4306(3) 0.7407(2) 0.56730(15) 0.0288(10) Uani 1 1 d . . . . .
C32 C 0.3840(3) 0.8106(3) 0.56486(18) 0.0458(13) Uani 1 1 d . . . . .
H32 H 0.3442 0.8220 0.5904 0.055 Uiso 1 1 calc R U . . .
C33 C 0.3947(4) 0.8641(3) 0.5254(2) 0.0594(17) Uani 1 1 d . . . . .
H33 H 0.3620 0.9118 0.5237 0.071 Uiso 1 1 calc R U . . .
C34 C 0.4531(4) 0.8476(3) 0.4889(2) 0.0572(15) Uani 1 1 d . . . . .
H34 H 0.4612 0.8846 0.4621 0.069 Uiso 1 1 calc R U . . .
C35 C 0.5003(4) 0.7781(4) 0.4907(2) 0.0586(16) Uani 1 1 d . . . . .
H35 H 0.5403 0.7671 0.4652 0.070 Uiso 1 1 calc R U . . .
C36 C 0.4887(4) 0.7245(3) 0.52989(18) 0.0442(13) Uani 1 1 d . . . . .
H36 H 0.5208 0.6764 0.5312 0.053 Uiso 1 1 calc R U . . .
O8 O 0.8302(8) 0.6396(6) 0.5898(3) 0.119(5) Uani 0.5 1 d D . P . .
O6 O 0.7940(7) 0.6703(8) 0.5166(5) 0.161(7) Uani 0.5 1 d D . P . .
N2 N 0.8343(8) 0.6224(6) 0.5441(3) 0.090(4) Uani 0.5 1 d D U P . .
O7 O 0.8695(7) 0.5629(7) 0.5269(4) 0.130(5) Uani 0.5 1 d D . P . .
C38 C 0.2500 0.2500 0.6661(5) 0.096(4) Uani 1 2 d DS T P . .
O9 O 0.3028(6) 0.2282(6) 0.5804(4) 0.076(3) Uani 0.5 1 d D . P . .
C37 C 0.2344(9) 0.2284(13) 0.6117(6) 0.107(6) Uani 0.5 1 d D U P A 2
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'
P P 0.1023 0.0942 '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
O1 Yb1 O1 89.50(15) 2_565 . ?
O1 Yb1 O2 95.37(10) 2_565 . ?
O1 Yb1 O2 154.23(10) . . ?
O1 Yb1 O2 154.23(10) 2_565 2_565 ?
O1 Yb1 O2 95.37(10) . 2_565 ?
O2 Yb1 O2 91.16(14) . 2_565 ?
O1 Yb1 O3 79.93(10) 2_565 2_565 ?
O1 Yb1 O3 130.36(9) . 2_565 ?
O2 Yb1 O3 75.39(9) . 2_565 ?
O2 Yb1 O3 77.66(10) 2_565 2_565 ?
O1 Yb1 O3 130.37(9) 2_565 . ?
O1 Yb1 O3 79.93(10) . . ?
O2 Yb1 O3 77.67(10) . . ?
O2 Yb1 O3 75.39(9) 2_565 . ?
O3 Yb1 O3 141.12(13) 2_565 . ?
O1 Yb1 O4 77.54(9) 2_565 . ?
O1 Yb1 O4 79.23(10) . . ?
O2 Yb1 O4 77.18(10) . . ?
O2 Yb1 O4 128.23(10) 2_565 . ?
O3 Yb1 O4 142.38(9) 2_565 . ?
O3 Yb1 O4 52.89(9) . . ?
O1 Yb1 O4 79.23(10) 2_565 2_565 ?
O1 Yb1 O4 77.54(9) . 2_565 ?
O2 Yb1 O4 128.22(10) . 2_565 ?
O2 Yb1 O4 77.18(10) 2_565 2_565 ?
O3 Yb1 O4 52.89(9) 2_565 2_565 ?
O3 Yb1 O4 142.38(9) . 2_565 ?
O4 Yb1 O4 147.07(13) . 2_565 ?
O1 Yb1 N1 103.98(10) 2_565 . ?
O1 Yb1 N1 78.75(10) . . ?
O2 Yb1 N1 75.51(10) . . ?
O2 Yb1 N1 101.79(10) 2_565 . ?
O3 Yb1 N1 150.88(9) 2_565 . ?
O3 Yb1 N1 26.44(9) . . ?
O4 Yb1 N1 26.45(10) . . ?
O4 Yb1 N1 156.05(10) 2_565 . ?
O1 Yb1 N1 78.75(10) 2_565 2_565 ?
O1 Yb1 N1 103.98(10) . 2_565 ?
O2 Yb1 N1 101.79(10) . 2_565 ?
O2 Yb1 N1 75.51(10) 2_565 2_565 ?
O3 Yb1 N1 26.44(9) 2_565 2_565 ?
O3 Yb1 N1 150.88(9) . 2_565 ?
O4 Yb1 N1 156.05(10) . 2_565 ?
O4 Yb1 N1 26.45(10) 2_565 2_565 ?
N1 Yb1 N1 176.25(13) . 2_565 ?
O1 P1 C7 111.35(18) . . ?
O1 P1 C1 109.60(18) . . ?
C7 P1 C1 108.7(2) . . ?
O1 P1 C13 113.06(18) . . ?
C7 P1 C13 106.00(19) . . ?
C1 P1 C13 107.95(19) . . ?
O2 P2 C25 112.37(17) . . ?
O2 P2 C19 111.23(18) . . ?
C25 P2 C19 104.78(19) . . ?
O2 P2 C31 110.26(18) . . ?
C25 P2 C31 110.6(2) . . ?
C19 P2 C31 107.31(18) . . ?
P1 O1 Yb1 171.17(18) . . ?
P2 O2 Yb1 165.40(18) . . ?
N1 O3 Yb1 96.4(2) . . ?
N1 O4 Yb1 94.9(2) . . ?
O5 N1 O4 122.4(4) . . ?
O5 N1 O3 121.8(4) . . ?
O4 N1 O3 115.8(3) . . ?
O5 N1 Yb1 178.0(3) . . ?
O4 N1 Yb1 58.63(18) . . ?
O3 N1 Yb1 57.18(18) . . ?
C6 C1 C2 119.4(4) . . ?
C6 C1 P1 122.6(4) . . ?
C2 C1 P1 117.9(3) . . ?
C3 C2 C1 119.9(5) . . ?
C2 C3 C4 120.3(5) . . ?
C5 C4 C3 119.5(5) . . ?
C4 C5 C6 121.1(5) . . ?
C1 C6 C5 119.8(5) . . ?
C12 C7 C8 119.4(4) . . ?
C12 C7 P1 121.7(3) . . ?
C8 C7 P1 118.9(3) . . ?
C9 C8 C7 119.5(4) . . ?
C8 C9 C10 121.2(5) . . ?
C11 C10 C9 119.3(5) . . ?
C10 C11 C12 120.6(4) . . ?
C11 C12 C7 120.1(4) . . ?
C18 C13 C14 119.6(4) . . ?
C18 C13 P1 121.7(3) . . ?
C14 C13 P1 118.7(3) . . ?
C15 C14 C13 120.3(4) . . ?
C16 C15 C14 119.3(5) . . ?
C17 C16 C15 120.8(5) . . ?
C16 C17 C18 120.1(5) . . ?
C13 C18 C17 119.9(5) . . ?
C20 C19 C24 119.3(4) . . ?
C20 C19 P2 120.1(3) . . ?
C24 C19 P2 120.6(3) . . ?
C21 C20 C19 120.1(4) . . ?
C22 C21 C20 119.9(5) . . ?
C23 C22 C21 120.2(4) . . ?
C22 C23 C24 120.5(4) . . ?
C23 C24 C19 120.0(4) . . ?
C30 C25 C26 120.2(4) . . ?
C30 C25 P2 124.1(3) . . ?
C26 C25 P2 115.6(3) . . ?
C27 C26 C25 119.9(4) . . ?
C28 C27 C26 119.8(5) . . ?
C27 C28 C29 120.3(5) . . ?
C28 C29 C30 120.6(5) . . ?
C25 C30 C29 119.1(5) . . ?
C32 C31 C36 119.3(4) . . ?
C32 C31 P2 118.0(3) . . ?
C36 C31 P2 122.6(3) . . ?
C31 C32 C33 120.5(5) . . ?
C34 C33 C32 119.4(5) . . ?
C33 C34 C35 120.9(5) . . ?
C34 C35 C36 119.4(5) . . ?
C35 C36 C31 120.4(5) . . ?
O7 N2 O8 124.9(9) . . ?
O7 N2 O6 121.8(8) . . ?
O8 N2 O6 113.2(8) . . ?
C37 C38 C37 33.6(13) . 2 ?
C37 O9 C37 38.5(14) 2 . ?
C37 C37 O9 78(2) 2 2 ?
C37 C37 O9 63.0(15) 2 . ?
O9 C37 O9 88.6(14) 2 . ?
C37 C37 C38 73.2(6) 2 . ?
O9 C37 C38 125.4(14) 2 . ?
O9 C37 C38 116.7(11) . . ?
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 O1 2.213(3) 2_565 ?
Yb1 O1 2.213(3) . ?
Yb1 O2 2.245(3) . ?
Yb1 O2 2.245(3) 2_565 ?
Yb1 O3 2.407(3) 2_565 ?
Yb1 O3 2.407(3) . ?
Yb1 O4 2.439(3) . ?
Yb1 O4 2.439(3) 2_565 ?
Yb1 N1 2.846(3) . ?
Yb1 N1 2.846(3) 2_565 ?
P1 O1 1.500(3) . ?
P1 C7 1.793(4) . ?
P1 C1 1.802(4) . ?
P1 C13 1.806(4) . ?
P2 O2 1.502(3) . ?
P2 C25 1.796(4) . ?
P2 C19 1.799(4) . ?
P2 C31 1.800(4) . ?
O3 N1 1.275(4) . ?
O4 N1 1.272(4) . ?
O5 N1 1.214(4) . ?
C1 C6 1.379(6) . ?
C1 C2 1.394(6) . ?
C2 C3 1.377(7) . ?
C3 C4 1.395(8) . ?
C4 C5 1.352(8) . ?
C5 C6 1.390(7) . ?
C7 C12 1.389(6) . ?
C7 C8 1.393(6) . ?
C8 C9 1.376(6) . ?
C9 C10 1.382(7) . ?
C10 C11 1.371(7) . ?
C11 C12 1.381(7) . ?
C13 C18 1.383(6) . ?
C13 C14 1.392(6) . ?
C14 C15 1.386(6) . ?
C15 C16 1.383(7) . ?
C16 C17 1.373(8) . ?
C17 C18 1.388(7) . ?
C19 C20 1.392(6) . ?
C19 C24 1.399(6) . ?
C20 C21 1.388(6) . ?
C21 C22 1.386(7) . ?
C22 C23 1.374(7) . ?
C23 C24 1.379(6) . ?
C25 C30 1.382(6) . ?
C25 C26 1.405(6) . ?
C26 C27 1.384(6) . ?
C27 C28 1.376(7) . ?
C28 C29 1.388(8) . ?
C29 C30 1.390(7) . ?
C31 C32 1.381(6) . ?
C31 C36 1.387(7) . ?
C32 C33 1.385(7) . ?
C33 C34 1.376(8) . ?
C34 C35 1.379(8) . ?
C35 C36 1.382(7) . ?
O8 N2 1.250(6) . ?
O6 N2 1.258(6) . ?
N2 O7 1.226(8) . ?
C38 C37 1.510(9) . ?
C38 C37 1.510(9) 2 ?
O9 C37 1.25(2) 2 ?
O9 C37 1.374(9) . ?
C37 C37 0.87(3) 2 ?
C37 O9 1.25(2) 2 ?
