#------------------------------------------------------------------------------
#$Date: 2016-11-11 08:38:39 +0200 (Fri, 11 Nov 2016) $
#$Revision: 188395 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/70/7227084.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_7227084
loop_
_publ_author_name
'D'Vries, Richard Fernando'
'Gómez, Germán'
'Lionello, Diego E.'
'Fuertes, Cecilia'
'Soler-Illia, Galo'
'Ellena, Javier A.'
_publ_section_title
;
 Luminescence, Chemical Sensing and Mechanical Properties of Crystalline
 Materials Based on Lanthanide-Sulfonate Coordination Polymers
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C6RA23516F
_journal_year                    2016
_chemical_formula_moiety         'C44 H28 N4 O15 S4 Yb2, 3(H2 O)'
_chemical_formula_sum            'C44 H34 N4 O18 S4 Yb2'
_chemical_formula_weight         1381.07
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_date             2015-10-14
_audit_creation_method
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_audit_update_record
;
2016-05-03 deposited with the CCDC.
2016-11-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 99.0140(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.2136(4)
_cell_length_b                   17.0112(5)
_cell_length_c                   18.8325(5)
_cell_measurement_reflns_used    9216
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      1.6
_cell_measurement_theta_min      26.4
_cell_volume                     4497.3(2)
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_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, 20015)'
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean 7.9
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0603
_diffrn_reflns_av_unetI/netI     0.0429
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            60860
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         26.400
_diffrn_reflns_theta_min         1.622
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.404
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6432
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.0942 before and 0.0572 after correction.
The Ratio of minimum to maximum transmission is 0.8629.
The λ/2 correction factor is 0.00150.
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.040
_exptl_crystal_description       needle
_exptl_crystal_F_000             2696
_exptl_crystal_preparation       Luminescent
_exptl_crystal_recrystallization_method Hydrothermal
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.676
_refine_diff_density_min         -0.622
_refine_diff_density_rms         0.127
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     647
_refine_ls_number_reflns         9216
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0442
_refine_ls_R_factor_gt           0.0276
_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+5.4786P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0519
_refine_ls_wR_factor_ref         0.0576
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7320
_reflns_number_total             9216
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6ra23516f2.cif
_cod_data_source_block           Phase3-Yb
_cod_database_code               7227084
_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   0.879
_shelx_estimated_absorpt_t_min   0.521
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H,H) groups
2.a Free rotating group:
 O16(H16A,H16B,O17,H17A,H17B,O18,H18A,H18B)
2.b Rotating group:
 O15(H15A,H15B)
2.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C4(H4), C6(H6), C7(H7), C9(H9), C12(H12), C14(H14), C15(H15),
 C17(H17), C19(H19), C21(H21), C22(H22), C23(H23), C25(H25), C26(H26), C28(H28),
  C29(H29), C30(H30), C33(H33), C34(H34), C35(H35), C37(H37), C38(H38),
 C40(H40), C41(H41), C42(H42)
;
_shelx_shelxl_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, 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
C1 C -0.2363(3) 0.2598(2) 0.2525(2) 0.0182(9) Uani 1 1 d .
C2 C -0.2074(3) 0.2683(2) 0.3244(2) 0.0197(9) Uani 1 1 d .
H2 H -0.1921 0.3177 0.3440 0.024 Uiso 1 1 calc R
C3 C -0.2009(3) 0.2013(2) 0.3687(2) 0.0187(9) Uani 1 1 d .
C4 C -0.6733(3) 0.2933(2) -0.0556(2) 0.0219(10) Uani 1 1 d .
H4 H -0.6626 0.2444 -0.0339 0.026 Uiso 1 1 calc R
C5 C -0.6626(3) 0.3596(2) -0.0148(2) 0.0211(10) Uani 1 1 d .
C6 C -0.6767(3) 0.4344(3) -0.0467(2) 0.0299(11) Uani 1 1 d .
H6 H -0.6664 0.4793 -0.0183 0.036 Uiso 1 1 calc R
C7 C -0.2052(4) 0.0588(2) 0.3814(2) 0.0318(12) Uani 1 1 d .
H7 H -0.2153 0.0091 0.3611 0.038 Uiso 1 1 calc R
C8 C -0.2200(3) 0.1260(2) 0.3365(2) 0.0213(10) Uani 1 1 d .
C9 C -0.2547(3) 0.1201(2) 0.2620(2) 0.0223(10) Uani 1 1 d .
H9 H -0.2689 0.0710 0.2412 0.027 Uiso 1 1 calc R
C10 C -0.2675(3) 0.1867(2) 0.2204(2) 0.0190(9) Uani 1 1 d .
C11 C -0.4096(3) 0.2852(2) -0.0391(2) 0.0185(9) Uani 1 1 d .
C12 C -0.4113(3) 0.3539(2) -0.0773(2) 0.0225(10) Uani 1 1 d .
H12 H -0.3941 0.4008 -0.0534 0.027 Uiso 1 1 calc R
C13 C -0.4393(3) 0.3540(2) -0.1532(2) 0.0201(9) Uani 1 1 d .
C14 C 0.0701(3) 0.0781(3) 0.3054(2) 0.0307(11) Uani 1 1 d .
H14 H 0.0872 0.0306 0.3284 0.037 Uiso 1 1 calc R
C15 C 0.0542(3) 0.0813(3) 0.2321(2) 0.0281(11) Uani 1 1 d .
H15 H 0.0617 0.0363 0.2055 0.034 Uiso 1 1 calc R
C16 C 0.0267(3) 0.1521(2) 0.1966(2) 0.0219(10) Uani 1 1 d .
C17 C 0.0129(3) 0.2186(2) 0.2351(2) 0.0224(10) Uani 1 1 d .
H17 H -0.0082 0.2647 0.2111 0.027 Uiso 1 1 calc R
C18 C -0.4694(3) 0.2828(2) -0.1889(2) 0.0194(9) Uani 1 1 d .
C19 C -0.4780(3) 0.2150(2) -0.1479(2) 0.0214(10) Uani 1 1 d .
H19 H -0.5035 0.1692 -0.1702 0.026 Uiso 1 1 calc R
C20 C -0.4486(3) 0.2165(2) -0.0750(2) 0.0183(9) Uani 1 1 d .
C21 C -0.4641(3) 0.3706(3) 0.2701(2) 0.0332(12) Uani 1 1 d .
H21 H -0.4673 0.4106 0.2361 0.040 Uiso 1 1 calc R
C22 C -0.4534(4) 0.3911(3) 0.3431(3) 0.0439(14) Uani 1 1 d .
H22 H -0.4506 0.4437 0.3570 0.053 Uiso 1 1 calc R
C23 C -0.4472(4) 0.3336(3) 0.3928(3) 0.0458(14) Uani 1 1 d .
H23 H -0.4390 0.3466 0.4413 0.055 Uiso 1 1 calc R
C24 C -0.4531(3) 0.2540(3) 0.3719(2) 0.0327(12) Uani 1 1 d .
C25 C -0.4465(4) 0.1904(3) 0.4212(3) 0.0428(14) Uani 1 1 d .
H25 H -0.4366 0.2005 0.4704 0.051 Uiso 1 1 calc R
C26 C -0.4544(4) 0.1157(3) 0.3976(3) 0.0423(14) Uani 1 1 d .
H26 H -0.4484 0.0748 0.4308 0.051 Uiso 1 1 calc R
C27 C -0.4720(3) 0.0980(3) 0.3226(2) 0.0285(11) Uani 1 1 d .
C28 C -0.4864(4) 0.0210(3) 0.2954(3) 0.0421(14) Uani 1 1 d .
H28 H -0.4840 -0.0216 0.3266 0.051 Uiso 1 1 calc R
C29 C -0.5037(4) 0.0099(3) 0.2232(3) 0.0446(14) Uani 1 1 d .
H29 H -0.5151 -0.0404 0.2046 0.053 Uiso 1 1 calc R
C30 C -0.5043(3) 0.0733(3) 0.1771(2) 0.0315(11) Uani 1 1 d .
H30 H -0.5153 0.0639 0.1279 0.038 Uiso 1 1 calc R
C31 C -0.4762(3) 0.1597(3) 0.2723(2) 0.0219(10) Uani 1 1 d .
C32 C -0.4657(3) 0.2388(3) 0.2972(2) 0.0236(10) Uani 1 1 d .
C33 C -0.1756(4) 0.3857(3) -0.0061(2) 0.0343(12) Uani 1 1 d .
H33 H -0.1673 0.3976 0.0427 0.041 Uiso 1 1 calc R
C34 C -0.1734(4) 0.4470(3) -0.0546(3) 0.0366(12) Uani 1 1 d .
H34 H -0.1633 0.4984 -0.0382 0.044 Uiso 1 1 calc R
C35 C -0.1860(3) 0.4312(3) -0.1266(3) 0.0357(12) Uani 1 1 d .
H35 H -0.1871 0.4718 -0.1597 0.043 Uiso 1 1 calc R
C36 C -0.1974(3) 0.3537(3) -0.1497(2) 0.0276(11) Uani 1 1 d .
C37 C -0.2091(3) 0.3313(3) -0.2241(2) 0.0371(13) Uani 1 1 d .
H37 H -0.2096 0.3701 -0.2589 0.045 Uiso 1 1 calc R
C38 C -0.2193(4) 0.2562(3) -0.2448(2) 0.0399(13) Uani 1 1 d .
H38 H -0.2267 0.2437 -0.2934 0.048 Uiso 1 1 calc R
C39 C -0.2190(3) 0.1947(3) -0.1928(2) 0.0323(11) Uani 1 1 d .
C40 C -0.2276(4) 0.1145(3) -0.2113(3) 0.0481(15) Uani 1 1 d .
H40 H -0.2331 0.0992 -0.2592 0.058 Uiso 1 1 calc R
C41 C -0.2278(4) 0.0597(3) -0.1588(3) 0.0505(15) Uani 1 1 d .
H41 H -0.2327 0.0065 -0.1703 0.061 Uiso 1 1 calc R
C42 C -0.2207(4) 0.0840(3) -0.0877(3) 0.0378(13) Uani 1 1 d .
H42 H -0.2224 0.0459 -0.0526 0.045 Uiso 1 1 calc R
C43 C -0.2101(3) 0.2140(3) -0.1193(2) 0.0233(10) Uani 1 1 d .
C44 C -0.1982(3) 0.2942(3) -0.0975(2) 0.0250(10) Uani 1 1 d .
O1 O -0.1854(2) 0.30802(16) 0.13511(14) 0.0237(7) Uani 1 1 d .
O2 O -0.1883(2) 0.40469(16) 0.22967(15) 0.0292(7) Uani 1 1 d .
O3 O -0.3363(2) 0.35441(15) 0.16359(14) 0.0225(7) Uani 1 1 d .
O4 O -0.5234(2) 0.37953(17) 0.09156(15) 0.0291(7) Uani 1 1 d .
O5 O -0.6219(2) 0.26993(16) 0.09938(14) 0.0262(7) Uani 1 1 d .
O6 O -0.6861(2) 0.40215(19) 0.11327(15) 0.0378(9) Uani 1 1 d .
O7 O -0.31035(19) 0.18690(15) 0.15058(13) 0.0189(6) Uani 1 1 d .
O8 O -0.3572(2) 0.11481(15) 0.01098(14) 0.0221(7) Uani 1 1 d .
O9 O -0.5062(2) 0.07281(16) -0.06145(14) 0.0264(7) Uani 1 1 d .
O10 O -0.5077(2) 0.16399(16) 0.03771(13) 0.0224(7) Uani 1 1 d .
O11 O 0.1021(2) 0.1956(2) 0.08597(16) 0.0382(8) Uani 1 1 d .
O12 O -0.0670(2) 0.20521(17) 0.07715(14) 0.0274(7) Uani 1 1 d .
O13 O 0.0064(2) 0.07675(18) 0.07597(15) 0.0356(8) Uani 1 1 d .
O14 O -0.3693(2) 0.27890(15) 0.03077(13) 0.0199(6) Uani 1 1 d .
O15 O -0.1858(2) 0.07670(17) 0.08567(16) 0.0343(8) Uani 1 1 d .
H15A H -0.1898 0.0666 0.1303 0.051 Uiso 1 1 d GR
H15B H -0.1273 0.0689 0.0793 0.051 Uiso 1 1 d GR
O16 O 0.0915(2) 0.37184(17) 0.1069(3) 0.156(3) Uani 1 1 d .
H16A H 0.0957 0.3774 0.1520 0.233 Uiso 1 1 d G
H16B H 0.1352 0.3982 0.0920 0.233 Uiso 1 1 d G
O17 O 0.7118(3) 0.94333(17) 0.0655(2) 0.0710(13) Uani 1 1 d G
H17A H 0.6880 0.9582 0.1018 0.106 Uiso 1 1 d G
H17B H 0.6914 0.9725 0.0299 0.106 Uiso 1 1 d G
O18 O 0.2738(2) 0.11659(14) 0.0714(2) 0.0746(13) Uani 1 1 d G
H18A H 0.2189 0.1328 0.0766 0.112 Uiso 1 1 d G
H18B H 0.3100 0.1557 0.0680 0.112 Uiso 1 1 d G
S1 S -0.23615(8) 0.33905(6) 0.19230(5) 0.0200(2) Uani 1 1 d .
S2 S -0.62384(8) 0.35400(6) 0.07877(5) 0.0238(3) Uani 1 1 d .
S3 S -0.45591(8) 0.13435(6) -0.01940(5) 0.0192(2) Uani 1 1 d .
S4 S 0.01754(8) 0.15684(7) 0.10205(5) 0.0254(3) Uani 1 1 d .
Yb1 Yb -0.22995(2) 0.20395(2) 0.05569(2) 0.01895(5) Uani 1 1 d .
Yb2 Yb -0.44979(2) 0.25758(2) 0.12421(2) 0.01803(5) Uani 1 1 d .
N1 N -0.4698(3) 0.2965(2) 0.24709(17) 0.0235(8) Uani 1 1 d .
N2 N -0.4902(3) 0.14682(19) 0.19944(17) 0.0224(8) Uani 1 1 d .
N3 N -0.1892(3) 0.3108(2) -0.02587(17) 0.0230(8) Uani 1 1 d .
N4 N -0.2116(3) 0.1590(2) -0.06712(18) 0.0263(9) Uani 1 1 d .
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'
S S 0.1246 0.1234 '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
C2 C1 C10 122.7(4) . .
C2 C1 S1 121.9(3) . .
C10 C1 S1 115.3(3) . .
C1 C2 H2 120.4 . .
C1 C2 C3 119.1(4) . .
C3 C2 H2 120.4 . .
C2 C3 C4 121.7(4) . 4_666
C2 C3 C8 119.0(3) . .
C4 C3 C8 119.3(4) 4_666 .
C3 C4 H4 119.9 4_565 .
C5 C4 C3 120.2(4) . 4_565
C5 C4 H4 119.9 . .
C4 C5 C6 120.8(4) . .
C4 C5 S2 120.6(3) . .
C6 C5 S2 118.4(3) . .
C5 C6 H6 119.9 . .
C7 C6 C5 120.2(4) 4_565 .
C7 C6 H6 119.9 4_565 .
C6 C7 H7 119.3 4_666 .
C6 C7 C8 121.3(4) 4_666 .
C8 C7 H7 119.3 . .
C7 C8 C3 118.0(4) . .
C9 C8 C3 120.0(4) . .
C9 C8 C7 122.0(4) . .
C8 C9 H9 120.0 . .
C10 C9 C8 120.1(4) . .
C10 C9 H9 120.0 . .
C1 C10 Yb2 94.7(2) . .
C9 C10 C1 118.3(4) . .
C9 C10 Yb2 131.7(3) . .
O7 C10 C1 118.1(3) . .
O7 C10 C9 123.6(4) . .
O7 C10 Yb2 40.66(17) . .
C12 C11 C20 118.6(3) . .
C12 C11 Yb1 127.6(3) . .
C20 C11 Yb1 97.4(2) . .
O14 C11 C12 123.2(4) . .
O14 C11 C20 118.2(3) . .
O14 C11 Yb1 40.80(17) . .
C11 C12 H12 119.8 . .
C11 C12 C13 120.5(4) . .
C13 C12 H12 119.8 . .
C14 C13 C12 121.3(4) 4_565 .
C14 C13 C18 119.0(4) 4_565 .
C18 C13 C12 119.4(4) . .
C13 C14 H14 119.6 4_666 .
C15 C14 C13 120.7(4) . 4_666
C15 C14 H14 119.6 . .
C14 C15 H15 119.8 . .
C14 C15 C16 120.3(4) . .
C16 C15 H15 119.8 . .
C15 C16 S4 119.3(3) . .
C17 C16 C15 120.6(4) . .
C17 C16 S4 120.0(3) . .
C16 C17 H17 119.9 . .
C16 C17 C18 120.1(4) . 4_666
C18 C17 H17 119.9 4_666 .
C17 C18 C13 119.2(4) 4_565 .
C19 C18 C13 119.2(3) . .
C19 C18 C17 121.6(4) . 4_565
C18 C19 H19 120.2 . .
C20 C19 C18 119.7(4) . .
C20 C19 H19 120.2 . .
C11 C20 S3 115.2(3) . .
C19 C20 C11 121.9(4) . .
C19 C20 S3 123.0(3) . .
C22 C21 H21 118.5 . .
N1 C21 H21 118.5 . .
N1 C21 C22 123.1(4) . .
C21 C22 H22 120.5 . .
C23 C22 C21 119.0(5) . .
C23 C22 H22 120.5 . .
C22 C23 H23 119.7 . .
C22 C23 C24 120.6(4) . .
C24 C23 H23 119.7 . .
C23 C24 C25 123.6(4) . .
C23 C24 C32 116.5(4) . .
C32 C24 C25 119.8(4) . .
C24 C25 H25 119.7 . .
C26 C25 C24 120.7(5) . .
C26 C25 H25 119.7 . .
C25 C26 H26 119.4 . .
C25 C26 C27 121.2(4) . .
C27 C26 H26 119.4 . .
C28 C27 C26 123.3(4) . .
C28 C27 C31 117.4(4) . .
C31 C27 C26 119.4(4) . .
C27 C28 H28 120.4 . .
C29 C28 C27 119.1(4) . .
C29 C28 H28 120.4 . .
C28 C29 H29 119.9 . .
C28 C29 C30 120.2(5) . .
C30 C29 H29 119.9 . .
C29 C30 H30 118.3 . .
N2 C30 C29 123.4(4) . .
N2 C30 H30 118.3 . .
C27 C31 C32 119.4(4) . .
N2 C31 C27 122.5(4) . .
N2 C31 C32 118.1(4) . .
C24 C32 C31 119.4(4) . .
N1 C32 C24 123.1(4) . .
N1 C32 C31 117.5(4) . .
C34 C33 H33 118.3 . .
N3 C33 H33 118.3 . .
N3 C33 C34 123.4(4) . .
C33 C34 H34 120.3 . .
C35 C34 C33 119.4(5) . .
C35 C34 H34 120.3 . .
C34 C35 H35 120.4 . .
C34 C35 C36 119.2(4) . .
C36 C35 H35 120.4 . .
C35 C36 C37 123.1(4) . .
C35 C36 C44 118.4(4) . .
C44 C36 C37 118.5(4) . .
C36 C37 H37 119.1 . .
C38 C37 C36 121.9(4) . .
C38 C37 H37 119.1 . .
C37 C38 H38 119.7 . .
C37 C38 C39 120.6(4) . .
C39 C38 H38 119.7 . .
C40 C39 C38 123.1(4) . .
C40 C39 C43 117.4(4) . .
C43 C39 C38 119.5(4) . .
C39 C40 H40 120.2 . .
C41 C40 C39 119.6(5) . .
C41 C40 H40 120.2 . .
C40 C41 H41 120.4 . .
C40 C41 C42 119.2(5) . .
C42 C41 H41 120.4 . .
C41 C42 H42 118.1 . .
N4 C42 C41 123.7(5) . .
N4 C42 H42 118.1 . .
C39 C43 C44 119.6(4) . .
N4 C43 C39 122.7(4) . .
N4 C43 C44 117.7(4) . .
C36 C44 C43 119.9(4) . .
N3 C44 C36 122.0(4) . .
N3 C44 C43 118.1(4) . .
S1 O1 Yb1 128.27(17) . .
S1 O3 Yb2 124.92(16) . .
S2 O4 Yb2 99.31(15) . .
S2 O5 Yb2 96.37(15) . .
C10 O7 Yb1 123.6(2) . .
C10 O7 Yb2 116.7(2) . .
Yb1 O7 Yb2 106.49(10) . .
S3 O8 Yb1 127.81(16) . .
S3 O10 Yb2 125.28(16) . .
S4 O12 Yb1 143.60(18) . .
C11 O14 Yb1 117.0(2) . .
C11 O14 Yb2 125.2(2) . .
Yb2 O14 Yb1 105.70(10) . .
H15A O15 H15B 108.3 . .
Yb1 O15 H15A 111.5 . .
Yb1 O15 H15B 109.8 . .
H16A O16 H16B 109.5 . .
H17A O17 H17B 109.4 . .
H18A O18 H18B 109.5 . .
C1 S1 Yb1 88.45(13) . .
C1 S1 Yb2 80.76(14) . .
O1 S1 C1 104.16(18) . .
O1 S1 Yb1 32.05(11) . .
O1 S1 Yb2 95.06(11) . .
O2 S1 C1 109.20(18) . .
O2 S1 O1 112.74(18) . .
O2 S1 O3 113.63(18) . .
O2 S1 Yb1 144.78(14) . .
O2 S1 Yb2 146.03(14) . .
O3 S1 C1 105.94(18) . .
O3 S1 O1 110.50(16) . .
O3 S1 Yb1 88.88(11) . .
O3 S1 Yb2 34.40(11) . .
Yb2 S1 Yb1 64.807(18) . .
C5 S2 Yb2 115.60(14) . .
O4 S2 C5 106.88(19) . .
O4 S2 O5 105.28(17) . .
O4 S2 Yb2 51.44(11) . .
O5 S2 C5 107.69(18) . .
O5 S2 Yb2 54.03(12) . .
O6 S2 C5 107.63(19) . .
O6 S2 O4 114.08(19) . .
O6 S2 O5 114.85(19) . .
O6 S2 Yb2 136.71(13) . .
C20 S3 Yb2 89.27(13) . .
O8 S3 C20 105.67(18) . .
O8 S3 O10 110.29(16) . .
O8 S3 Yb2 85.77(11) . .
O9 S3 C20 108.78(17) . .
O9 S3 O8 114.38(17) . .
O9 S3 O10 112.83(18) . .
O9 S3 Yb2 146.61(13) . .
O10 S3 C20 104.10(18) . .
O10 S3 Yb2 33.94(11) . .
O11 S4 C16 107.42(19) . .
O11 S4 O12 110.07(19) . .
O11 S4 O13 114.1(2) . .
O12 S4 C16 105.93(18) . .
O13 S4 C16 106.61(19) . .
O13 S4 O12 112.16(18) . .
C11 Yb1 H15A 137.7 . .
C11 Yb1 H15B 144.9 . .
C11 Yb1 S1 90.98(7) . .
C11 Yb1 Yb2 55.93(7) . .
O1 Yb1 C11 98.21(10) . .
O1 Yb1 O8 144.39(10) . .
O1 Yb1 O14 81.48(9) . .
O1 Yb1 H15A 107.7 . .
O1 Yb1 H15B 116.7 . .
O1 Yb1 S1 19.67(7) . .
O1 Yb1 Yb2 75.39(7) . .
O1 Yb1 N3 77.15(10) . .
O1 Yb1 N4 140.28(11) . .
O7 Yb1 C11 92.19(10) . .
O7 Yb1 O1 73.42(9) . .
O7 Yb1 O8 75.73(9) . .
O7 Yb1 O12 118.65(9) . .
O7 Yb1 O14 73.43(9) . .
O7 Yb1 O15 80.75(11) . .
O7 Yb1 H15A 65.2 . .
O7 Yb1 H15B 95.0 . .
O7 Yb1 S1 55.18(7) . .
O7 Yb1 Yb2 36.94(7) . .
O7 Yb1 N3 139.76(10) . .
O7 Yb1 N4 145.69(11) . .
O8 Yb1 C11 65.54(10) . .
O8 Yb1 H15A 74.2 . .
O8 Yb1 H15B 83.1 . .
O8 Yb1 S1 124.95(7) . .
O8 Yb1 Yb2 69.29(7) . .
O8 Yb1 N3 118.39(10) . .
O8 Yb1 N4 70.37(11) . .
O12 Yb1 C11 142.53(10) . .
O12 Yb1 O1 73.44(10) . .
O12 Yb1 O8 138.71(10) . .
O12 Yb1 O14 146.28(10) . .
O12 Yb1 O15 74.67(11) . .
O12 Yb1 H15A 78.1 . .
O12 Yb1 H15B 58.5 . .
O12 Yb1 S1 90.31(7) . .
O12 Yb1 Yb2 145.89(7) . .
O12 Yb1 N3 77.09(11) . .
O12 Yb1 N4 85.20(11) . .
O14 Yb1 C11 22.23(9) . .
O14 Yb1 O8 72.99(9) . .
O14 Yb1 H15A 132.0 . .
O14 Yb1 H15B 155.3 . .
O14 Yb1 S1 70.61(6) . .
O14 Yb1 Yb2 36.52(6) . .
O14 Yb1 N3 75.61(10) . .
O14 Yb1 N4 100.93(10) . .
O15 Yb1 C11 135.11(10) . .
O15 Yb1 O1 121.28(10) . .
O15 Yb1 O8 69.77(10) . .
O15 Yb1 O14 138.76(11) . .
O15 Yb1 H15A 17.1 . .
O15 Yb1 H15B 17.5 . .
O15 Yb1 S1 118.71(8) . .
O15 Yb1 Yb2 111.20(8) . .
O15 Yb1 N3 138.85(12) . .
O15 Yb1 N4 82.80(11) . .
H15A Yb1 H15B 29.9 . .
S1 Yb1 H15A 102.3 . .
S1 Yb1 H15B 121.0 . .
S1 Yb1 Yb2 56.805(19) . .
Yb2 Yb1 H15A 98.7 . .
Yb2 Yb1 H15B 128.0 . .
N3 Yb1 C11 65.45(11) . .
N3 Yb1 H15A 152.0 . .
N3 Yb1 H15B 122.9 . .
N3 Yb1 S1 90.53(8) . .
N3 Yb1 Yb2 109.02(8) . .
N4 Yb1 C11 78.71(11) . .
N4 Yb1 H15A 99.8 . .
N4 Yb1 H15B 76.1 . .
N4 Yb1 S1 155.99(8) . .
N4 Yb1 Yb2 128.39(9) . .
N4 Yb1 N3 65.47(11) . .
C10 Yb2 S1 48.37(8) . .
C10 Yb2 S3 97.85(7) . .
O3 Yb2 C10 67.96(10) . .
O3 Yb2 O4 73.73(9) . .
O3 Yb2 O5 128.56(9) . .
O3 Yb2 S1 20.68(7) . .
O3 Yb2 S2 101.73(7) . .
O3 Yb2 S3 127.85(7) . .
O3 Yb2 N1 71.90(11) . .
O3 Yb2 N2 124.28(10) . .
O4 Yb2 C10 140.81(10) . .
O4 Yb2 O5 58.77(10) . .
O4 Yb2 S1 94.20(7) . .
O4 Yb2 S2 29.25(7) . .
O4 Yb2 S3 112.22(7) . .
O4 Yb2 N1 84.10(10) . .
O4 Yb2 N2 133.16(11) . .
O5 Yb2 C10 148.77(10) . .
O5 Yb2 S1 148.32(7) . .
O5 Yb2 S2 29.60(7) . .
O5 Yb2 S3 90.04(7) . .
O5 Yb2 N1 84.07(10) . .
O5 Yb2 N2 81.91(10) . .
O7 Yb2 C10 22.60(9) . .
O7 Yb2 O3 76.85(9) . .
O7 Yb2 O4 147.72(10) . .
O7 Yb2 O5 153.33(9) . .
O7 Yb2 O10 89.52(9) . .
O7 Yb2 S1 56.25(7) . .
O7 Yb2 S2 175.03(7) . .
O7 Yb2 S3 76.38(6) . .
O7 Yb2 N1 99.17(10) . .
O7 Yb2 N2 75.44(10) . .
O10 Yb2 C10 107.90(10) . .
O10 Yb2 O3 148.26(10) . .
O10 Yb2 O4 108.93(9) . .
O10 Yb2 O5 71.95(10) . .
O10 Yb2 S1 137.52(7) . .
O10 Yb2 S2 89.38(7) . .
O10 Yb2 S3 20.78(7) . .
O10 Yb2 N1 139.32(11) . .
O10 Yb2 N2 78.02(10) . .
O14 Yb2 C10 92.16(10) . .
O14 Yb2 O3 74.21(9) . .
O14 Yb2 O4 85.09(10) . .
O14 Yb2 O5 116.83(9) . .
O14 Yb2 O7 74.33(9) . .
O14 Yb2 O10 74.54(9) . .
O14 Yb2 S1 72.48(7) . .
O14 Yb2 S2 100.70(7) . .
O14 Yb2 S3 55.80(7) . .
O14 Yb2 N1 146.07(11) . .
O14 Yb2 N2 138.90(10) . .
S1 Yb2 S3 117.36(3) . .
S2 Yb2 C10 160.80(7) . .
S2 Yb2 S1 122.42(3) . .
S2 Yb2 S3 101.16(3) . .
N1 Yb2 C10 76.65(11) . .
N1 Yb2 S1 76.37(9) . .
N1 Yb2 S2 84.80(8) . .
N1 Yb2 S3 156.39(8) . .
N1 Yb2 N2 66.19(11) . .
N2 Yb2 C10 67.95(11) . .
N2 Yb2 S1 111.55(8) . .
N2 Yb2 S2 109.05(8) . .
N2 Yb2 S3 90.38(8) . .
C21 N1 C32 117.7(4) . .
C21 N1 Yb2 123.3(3) . .
C32 N1 Yb2 117.5(3) . .
C30 N2 C31 117.3(4) . .
C30 N2 Yb2 125.0(3) . .
C31 N2 Yb2 116.1(3) . .
C33 N3 C44 117.5(4) . .
C33 N3 Yb1 124.0(3) . .
C44 N3 Yb1 117.4(3) . .
C42 N4 C43 117.3(4) . .
C42 N4 Yb1 123.0(3) . .
C43 N4 Yb1 118.5(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.360(5) .
C1 C10 1.423(5) .
C1 S1 1.761(4) .
C2 H2 0.9300 .
C2 C3 1.408(5) .
C3 C4 1.421(5) 4_666
C3 C8 1.424(5) .
C4 C3 1.421(5) 4_565
C4 H4 0.9300 .
C4 C5 1.359(5) .
C5 C6 1.408(6) .
C5 S2 1.764(4) .
C6 H6 0.9300 .
C6 C7 1.357(6) 4_565
C7 C6 1.357(6) 4_666
C7 H7 0.9300 .
C7 C8 1.418(6) .
C8 C9 1.416(5) .
C9 H9 0.9300 .
C9 C10 1.373(5) .
C10 O7 1.360(4) .
C10 Yb2 3.159(4) .
C11 C12 1.371(5) .
C11 C20 1.418(5) .
C11 O14 1.355(4) .
C11 Yb1 3.192(4) .
C12 H12 0.9300 .
C12 C13 1.421(5) .
C13 C14 1.412(6) 4_565
C13 C18 1.418(6) .
C14 C13 1.412(6) 4_666
C14 H14 0.9300 .
C14 C15 1.366(6) .
C15 H15 0.9300 .
C15 C16 1.403(6) .
C16 C17 1.374(6) .
C16 S4 1.767(4) .
C17 H17 0.9300 .
C17 C18 1.414(5) 4_666
C18 C17 1.414(5) 4_565
C18 C19 1.403(6) .
C19 H19 0.9300 .
C19 C20 1.371(5) .
C20 S3 1.760(4) .
C21 H21 0.9300 .
C21 C22 1.405(6) .
C21 N1 1.332(5) .
C22 H22 0.9300 .
C22 C23 1.346(7) .
C23 H23 0.9300 .
C23 C24 1.410(7) .
C24 C25 1.420(6) .
C24 C32 1.412(6) .
C25 H25 0.9300 .
C25 C26 1.346(7) .
C26 H26 0.9300 .
C26 C27 1.428(6) .
C27 C28 1.408(7) .
C27 C31 1.410(6) .
C28 H28 0.9300 .
C28 C29 1.357(7) .
C29 H29 0.9300 .
C29 C30 1.384(6) .
C30 H30 0.9300 .
C30 N2 1.324(5) .
C31 C32 1.426(6) .
C31 N2 1.373(5) .
C32 N1 1.356(5) .
C33 H33 0.9300 .
C33 C34 1.390(6) .
C33 N3 1.334(5) .
C34 H34 0.9300 .
C34 C35 1.366(6) .
C35 H35 0.9300 .
C35 C36 1.390(6) .
C36 C37 1.437(6) .
C36 C44 1.412(6) .
C37 H37 0.9300 .
C37 C38 1.337(7) .
C38 H38 0.9300 .
C38 C39 1.433(6) .
C39 C40 1.408(7) .
C39 C43 1.409(6) .
C40 H40 0.9300 .
C40 C41 1.361(7) .
C41 H41 0.9300 .
C41 C42 1.389(6) .
C42 H42 0.9300 .
C42 N4 1.334(5) .
C43 C44 1.427(6) .
C43 N4 1.358(5) .
C44 N3 1.365(5) .
O1 S1 1.484(3) .
O1 Yb1 2.340(3) .
O2 S1 1.433(3) .
O3 S1 1.465(3) .
O3 Yb2 2.343(3) .
O4 S2 1.475(3) .
O4 Yb2 2.361(3) .
O5 S2 1.481(3) .
O5 Yb2 2.426(3) .
O6 S2 1.434(3) .
O7 Yb1 2.285(3) .
O7 Yb2 2.305(3) .
O8 S3 1.468(3) .
O8 Yb1 2.409(3) .
O9 S3 1.434(3) .
O10 S3 1.483(3) .
O10 Yb2 2.334(3) .
O11 S4 1.445(3) .
O12 S4 1.471(3) .
O12 Yb1 2.287(3) .
O13 S4 1.449(3) .
O14 Yb1 2.340(3) .
O14 Yb2 2.273(3) .
O15 H15A 0.8680 .
O15 H15B 0.8685 .
O15 Yb1 2.299(3) .
O16 H16A 0.8476 .
O16 H16B 0.8490 .
O17 H17A 0.8482 .
O17 H17B 0.8484 .
O18 H18A 0.8486 .
O18 H18B 0.8493 .
S1 Yb1 3.4611(10) .
S1 Yb2 3.4009(11) .
S2 Yb2 2.9797(11) .
S3 Yb2 3.4121(10) .
Yb1 H15A 2.7393 .
Yb1 H15B 2.7197 .
Yb1 Yb2 3.6776(3) .
Yb1 N3 2.506(3) .
Yb1 N4 2.488(3) .
Yb2 N1 2.466(3) .
Yb2 N2 2.478(3) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C1 C2 C3 C4 -178.5(4) . 4_666
C1 C2 C3 C8 3.3(6) . .
C1 C10 O7 Yb1 74.2(4) . .
C1 C10 O7 Yb2 -61.5(4) . .
C2 C1 C10 C9 -9.7(7) . .
C2 C1 C10 O7 168.7(4) . .
C2 C1 C10 Yb2 133.7(4) . .
C2 C1 S1 O1 129.7(4) . .
C2 C1 S1 O2 9.0(4) . .
C2 C1 S1 O3 -113.7(4) . .
C2 C1 S1 Yb1 157.9(4) . .
C2 C1 S1 Yb2 -137.4(4) . .
C2 C3 C8 C7 174.8(4) . .
C2 C3 C8 C9 -6.6(6) . .
C3 C4 C5 C6 -1.3(7) 4_565 .
C3 C4 C5 S2 -177.4(3) 4_565 .
C3 C8 C9 C10 1.8(6) . .
C4 C3 C8 C7 -3.6(6) 4_666 .
C4 C3 C8 C9 175.0(4) 4_666 .
C4 C5 C6 C7 2.8(7) . 4_565
C4 C5 S2 O4 104.6(4) . .
C4 C5 S2 O5 -8.1(4) . .
C4 C5 S2 O6 -132.4(4) . .
C4 C5 S2 Yb2 49.9(4) . .
C6 C5 S2 O4 -71.6(4) . .
C6 C5 S2 O5 175.7(4) . .
C6 C5 S2 O6 51.4(4) . .
C6 C5 S2 Yb2 -126.4(3) . .
C6 C7 C8 C3 2.1(7) 4_666 .
C6 C7 C8 C9 -176.5(5) 4_666 .
C7 C8 C9 C10 -179.6(4) . .
C8 C9 C10 C1 6.1(6) . .
C8 C9 C10 O7 -172.3(4) . .
C8 C9 C10 Yb2 -121.2(4) . .
C9 C10 O7 Yb1 -107.4(4) . .
C9 C10 O7 Yb2 116.9(4) . .
C10 C1 C2 C3 4.9(7) . .
C10 C1 S1 O1 -49.5(4) . .
C10 C1 S1 O2 -170.1(3) . .
C10 C1 S1 O3 67.1(4) . .
C10 C1 S1 Yb1 -21.3(3) . .
C10 C1 S1 Yb2 43.5(3) . .
C11 C12 C13 C14 -171.8(4) . 4_565
C11 C12 C13 C18 2.7(6) . .
C11 C20 S3 O8 -63.2(3) . .
C11 C20 S3 O9 173.5(3) . .
C11 C20 S3 O10 53.0(4) . .
C11 C20 S3 Yb2 22.2(3) . .
C12 C11 C20 C19 7.4(6) . .
C12 C11 C20 S3 -172.8(3) . .
C12 C11 O14 Yb1 -110.9(4) . .
C12 C11 O14 Yb2 112.1(4) . .
C12 C13 C18 C17 -173.1(4) . 4_565
C12 C13 C18 C19 4.8(6) . .
C13 C14 C15 C16 -1.1(7) 4_666 .
C13 C18 C19 C20 -6.2(6) . .
C14 C13 C18 C17 1.5(6) 4_565 4_565
C14 C13 C18 C19 179.5(4) 4_565 .
C14 C15 C16 C17 -1.8(7) . .
C14 C15 C16 S4 174.2(4) . .
C15 C16 C17 C18 3.0(7) . 4_666
C15 C16 S4 O11 -101.5(4) . .
C15 C16 S4 O12 140.8(4) . .
C15 C16 S4 O13 21.2(4) . .
C17 C16 S4 O11 74.4(4) . .
C17 C16 S4 O12 -43.2(4) . .
C17 C16 S4 O13 -162.8(4) . .
C17 C18 C19 C20 171.7(4) 4_565 .
C18 C19 C20 C11 0.1(6) . .
C18 C19 C20 S3 -179.6(3) . .
C19 C20 S3 O8 116.6(4) . .
C19 C20 S3 O9 -6.7(4) . .
C19 C20 S3 O10 -127.2(4) . .
C19 C20 S3 Yb2 -158.0(4) . .
C20 C11 C12 C13 -8.7(6) . .
C20 C11 O14 Yb1 66.6(4) . .
C20 C11 O14 Yb2 -70.4(4) . .
C21 C22 C23 C24 -1.1(8) . .
C22 C21 N1 C32 0.5(7) . .
C22 C21 N1 Yb2 -164.8(4) . .
C22 C23 C24 C25 179.6(5) . .
C22 C23 C24 C32 -0.1(8) . .
C23 C24 C25 C26 178.8(5) . .
C23 C24 C32 C31 -177.3(4) . .
C23 C24 C32 N1 1.6(7) . .
C24 C25 C26 C27 -1.6(8) . .
C24 C32 N1 C21 -1.8(7) . .
C24 C32 N1 Yb2 164.4(3) . .
C25 C24 C32 C31 3.0(7) . .
C25 C24 C32 N1 -178.1(4) . .
C25 C26 C27 C28 -176.1(5) . .
C25 C26 C27 C31 3.3(7) . .
C26 C27 C28 C29 179.3(5) . .
C26 C27 C31 C32 -1.8(6) . .
C26 C27 C31 N2 178.1(4) . .
C27 C28 C29 C30 1.9(8) . .
C27 C31 C32 C24 -1.3(6) . .
C27 C31 C32 N1 179.7(4) . .
C27 C31 N2 C30 3.2(6) . .
C27 C31 N2 Yb2 -163.2(3) . .
C28 C27 C31 C32 177.7(4) . .
C28 C27 C31 N2 -2.4(7) . .
C28 C29 C30 N2 -1.1(8) . .
C29 C30 N2 C31 -1.4(7) . .
C29 C30 N2 Yb2 163.6(4) . .
C31 C27 C28 C29 -0.2(7) . .
C31 C32 N1 C21 177.2(4) . .
C31 C32 N1 Yb2 -16.7(5) . .
C32 C24 C25 C26 -1.6(8) . .
C32 C31 N2 C30 -176.9(4) . .
C32 C31 N2 Yb2 16.7(5) . .
C33 C34 C35 C36 -2.4(7) . .
C34 C33 N3 C44 2.1(7) . .
C34 C33 N3 Yb1 -165.7(4) . .
C34 C35 C36 C37 -178.6(5) . .
C34 C35 C36 C44 1.9(7) . .
C35 C36 C37 C38 179.6(5) . .
C35 C36 C44 C43 179.7(4) . .
C35 C36 C44 N3 0.6(7) . .
C36 C37 C38 C39 0.1(8) . .
C36 C44 N3 C33 -2.6(6) . .
C36 C44 N3 Yb1 166.0(3) . .
C37 C36 C44 C43 0.2(6) . .
C37 C36 C44 N3 -178.8(4) . .
C37 C38 C39 C40 -178.8(5) . .
C37 C38 C39 C43 1.5(7) . .
C38 C39 C40 C41 -179.2(5) . .
C38 C39 C43 C44 -2.2(7) . .
C38 C39 C43 N4 178.4(4) . .
C39 C40 C41 C42 0.8(9) . .
C39 C43 C44 C36 1.3(6) . .
C39 C43 C44 N3 -179.6(4) . .
C39 C43 N4 C42 0.8(7) . .
C39 C43 N4 Yb1 -167.1(3) . .
C40 C39 C43 C44 178.1(4) . .
C40 C39 C43 N4 -1.3(7) . .
C40 C41 C42 N4 -1.4(9) . .
C41 C42 N4 C43 0.6(7) . .
C41 C42 N4 Yb1 167.9(4) . .
C43 C39 C40 C41 0.5(8) . .
C43 C44 N3 C33 178.3(4) . .
C43 C44 N3 Yb1 -13.1(5) . .
C44 C36 C37 C38 -1.0(7) . .
C44 C43 N4 C42 -178.6(4) . .
C44 C43 N4 Yb1 13.5(5) . .
O14 C11 C12 C13 168.9(4) . .
O14 C11 C20 C19 -170.3(4) . .
O14 C11 C20 S3 9.5(5) . .
S1 C1 C2 C3 -174.2(3) . .
S1 C1 C10 C9 169.4(3) . .
S1 C1 C10 O7 -12.1(5) . .
S1 C1 C10 Yb2 -47.2(3) . .
S2 C5 C6 C7 179.1(4) . 4_565
S4 C16 C17 C18 -172.9(3) . 4_666
Yb1 C11 C12 C13 118.5(4) . .
Yb1 C11 C20 C19 -133.1(4) . .
Yb1 C11 C20 S3 46.7(3) . .
Yb1 C11 O14 Yb2 -137.0(3) . .
Yb1 O1 S1 C1 62.9(2) . .
Yb1 O1 S1 O2 -178.85(18) . .
Yb1 O1 S1 O3 -50.5(2) . .
Yb1 O1 S1 Yb2 -18.84(18) . .
Yb1 O8 S3 C20 41.6(2) . .
Yb1 O8 S3 O9 161.25(17) . .
Yb1 O8 S3 O10 -70.3(2) . .
Yb1 O8 S3 Yb2 -46.41(16) . .
Yb1 O12 S4 C16 -76.8(3) . .
Yb1 O12 S4 O11 167.4(3) . .
Yb1 O12 S4 O13 39.1(3) . .
Yb2 C10 O7 Yb1 135.7(3) . .
Yb2 O3 S1 C1 -44.5(2) . .
Yb2 O3 S1 O1 67.7(2) . .
Yb2 O3 S1 O2 -164.43(17) . .
Yb2 O3 S1 Yb1 43.52(16) . .
Yb2 O4 S2 C5 -109.61(17) . .
Yb2 O4 S2 O5 4.73(17) . .
Yb2 O4 S2 O6 131.56(16) . .
Yb2 O5 S2 C5 109.21(17) . .
Yb2 O5 S2 O4 -4.57(16) . .
Yb2 O5 S2 O6 -130.92(16) . .
Yb2 O10 S3 C20 -66.6(2) . .
Yb2 O10 S3 O8 46.3(2) . .
Yb2 O10 S3 O9 175.62(17) . .
N1 C21 C22 C23 1.0(8) . .
N2 C31 C32 C24 178.8(4) . .
N2 C31 C32 N1 -0.2(6) . .
N3 C33 C34 C35 0.4(8) . .
N4 C43 C44 C36 -179.2(4) . .
N4 C43 C44 N3 -0.1(6) . .
