#------------------------------------------------------------------------------
#$Date: 2016-03-26 18:16:36 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180420 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/89/7208937.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_7208937
loop_
_publ_author_name
'Jiang, Zhi-Qiang'
'Jiang, Gui-Yuan'
'Hou, Duan-Chuan'
'Wang, Fei'
'Zhao, Zhen'
'Zhang, Jian'
_publ_section_title
;
 Urothermal synthesis of photoluminescent lanthanide--organic frameworks
 with unusual topologies
;
_journal_issue                   2
_journal_name_full               CrystEngComm
_journal_page_first              315
_journal_paper_doi               10.1039/c2ce26242h
_journal_volume                  15
_journal_year                    2013
_chemical_formula_sum            'C45 H32 N2 O17 Yb2'
_chemical_formula_weight         1218.81
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 96.019(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.0603(5)
_cell_length_b                   27.6878(11)
_cell_length_c                   9.9639(5)
_cell_measurement_reflns_used    5247
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      2.5229
_cell_volume                     4406.3(3)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 16.2083
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0413
_diffrn_reflns_av_sigmaI/netI    0.1023
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            20610
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.53
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    4.297
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.50974
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.837
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       sheet
_exptl_crystal_F_000             2368
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.425
_refine_diff_density_min         -1.171
_refine_diff_density_rms         0.169
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     590
_refine_ls_number_reflns         7746
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.0543
_refine_ls_R_factor_gt           0.0424
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0500P)²+6.5578P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1039
_refine_ls_wR_factor_ref         0.1098
_reflns_number_gt                6544
_reflns_number_total             7746
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ce26242h.txt
_cod_data_source_block           2
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7208937
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Yb1 Yb 0.055536(17) 0.470769(11) 0.22406(3) 0.02054(10) Uani 1 1 d .
Yb2 Yb 0.360232(17) 0.485363(11) 0.35548(3) 0.02201(11) Uani 1 1 d .
C45 C 0.2497(5) 0.5276(4) 0.8654(8) 0.054(3) Uani 1 1 d .
H45A H 0.2475 0.5008 0.9277 0.064 Uiso 1 1 calc R
H45B H 0.2148 0.5537 0.8925 0.064 Uiso 1 1 calc R
O1 O 0.1532(3) 0.41951(19) 0.3080(5) 0.0305(12) Uani 1 1 d .
O14 O 0.5643(3) 0.05275(18) 0.1158(5) 0.0314(12) Uani 1 1 d .
O3 O 0.0542(3) 0.01837(19) 0.3313(5) 0.0309(12) Uani 1 1 d .
O2 O 0.2908(3) 0.41529(18) 0.3249(5) 0.0313(12) Uani 1 1 d .
C43 C 0.2839(4) 0.5180(3) 0.6463(7) 0.0239(16) Uani 1 1 d .
C28 C 0.0580(4) 0.9055(3) 0.1919(7) 0.0223(16) Uani 1 1 d .
C7 C 0.2189(4) 0.3966(2) 0.2953(6) 0.0192(15) Uani 1 1 d .
C14 C 0.0817(4) 0.0545(3) 0.3968(7) 0.0213(15) Uani 1 1 d .
C12 C 0.1007(5) 0.0965(3) 0.1804(7) 0.0307(18) Uani 1 1 d .
H12A H 0.0710 0.0717 0.1339 0.037 Uiso 1 1 calc R
C21 C 0.1996(4) 0.5536(3) 0.1859(6) 0.0198(15) Uani 1 1 d .
O7 O 0.2605(3) 0.53010(19) 0.2391(5) 0.0313(12) Uani 1 1 d .
C18 C 0.2316(5) 0.7006(3) 0.0846(7) 0.0280(17) Uani 1 1 d .
C15 C 0.2107(4) 0.6053(2) 0.1544(6) 0.0188(14) Uani 1 1 d .
O1W O 0.1037(3) 0.5092(2) 0.4288(5) 0.0353(14) Uani 1 1 d .
H1WB H 0.1462 0.4952 0.4866 0.042 Uiso 1 1 calc R
H9C H 0.0803 0.5384 0.4518 0.042 Uiso 1 1 calc R
O4 O 0.0847(3) 0.0579(2) 0.5216(5) 0.0391(14) Uani 1 1 d .
C35 C 0.4376(4) 0.4360(3) 0.1670(7) 0.0251(16) Uani 1 1 d .
C11 C 0.1145(4) 0.0951(3) 0.3200(6) 0.0211(15) Uani 1 1 d .
C25 C 0.1093(4) 0.8650(3) 0.1480(7) 0.0262(16) Uani 1 1 d .
C8 C 0.1743(6) 0.1713(3) 0.1776(7) 0.044(2) Uani 1 1 d .
O5 O 0.2055(5) 0.2066(2) 0.1011(6) 0.073(2) Uani 1 1 d .
O10 O 0.2444(3) 0.7467(2) 0.0356(5) 0.0440(15) Uani 1 1 d .
C39 C 0.4958(4) 0.1246(3) 0.0437(6) 0.0227(15) Uani 1 1 d .
C16 C 0.1414(4) 0.6341(3) 0.1200(7) 0.0270(17) Uani 1 1 d .
H16A H 0.0880 0.6212 0.1199 0.032 Uiso 1 1 calc R
C29 C 0.4575(4) 0.3919(3) 0.0919(6) 0.0215(15) Uani 1 1 d .
C1 C 0.2148(4) 0.3458(3) 0.2468(6) 0.0215(15) Uani 1 1 d .
C13 C 0.1306(5) 0.1340(3) 0.1109(7) 0.041(2) Uani 1 1 d .
H13A H 0.1214 0.1344 0.0172 0.049 Uiso 1 1 calc R
C20 C 0.2896(4) 0.6249(3) 0.1557(7) 0.0302(17) Uani 1 1 d .
H20A H 0.3365 0.6060 0.1811 0.036 Uiso 1 1 calc R
N1 N 0.3491(4) 0.5376(3) 0.7158(7) 0.049(2) Uani 1 1 d .
H1A H 0.3938 0.5458 0.6812 0.059 Uiso 1 1 calc R
C38 C 0.4211(4) 0.1505(3) 0.0187(7) 0.0297(17) Uani 1 1 d .
H38A H 0.3707 0.1353 0.0302 0.036 Uiso 1 1 calc R
C2 C 0.2844(4) 0.3229(3) 0.2125(7) 0.0293(17) Uani 1 1 d .
H2A H 0.3355 0.3390 0.2216 0.035 Uiso 1 1 calc R
C19 C 0.2993(4) 0.6722(3) 0.1195(8) 0.0321(18) Uani 1 1 d .
H19A H 0.3529 0.6850 0.1189 0.039 Uiso 1 1 calc R
O15 O 0.4957(4) 0.2640(2) -0.1068(5) 0.0553(18) Uani 1 1 d .
C22 C 0.1981(5) 0.7854(3) 0.0749(8) 0.0328(18) Uani 1 1 d .
C41 C 0.5711(5) 0.1949(3) -0.0137(8) 0.042(2) Uani 1 1 d .
H41A H 0.6214 0.2104 -0.0239 0.050 Uiso 1 1 calc R
C30 C 0.5007(4) 0.3555(3) 0.1584(7) 0.0290(17) Uani 1 1 d .
H30A H 0.5232 0.3602 0.2473 0.035 Uiso 1 1 calc R
C37 C 0.4208(5) 0.1978(3) -0.0227(7) 0.0350(19) Uani 1 1 d .
H37A H 0.3710 0.2151 -0.0373 0.042 Uiso 1 1 calc R
N2 N 0.2248(4) 0.5127(3) 0.7265(6) 0.052(2) Uani 1 1 d .
H2B H 0.1760 0.5014 0.6998 0.062 Uiso 1 1 calc R
C31 C 0.5121(5) 0.3117(3) 0.0979(7) 0.0330(18) Uani 1 1 d .
H31A H 0.5397 0.2866 0.1464 0.040 Uiso 1 1 calc R
C27 C 0.1788(7) 0.7900(3) 0.2047(8) 0.063(3) Uani 1 1 d .
H27A H 0.1955 0.7665 0.2686 0.076 Uiso 1 1 calc R
C17 C 0.1511(5) 0.6821(3) 0.0859(7) 0.0334(18) Uani 1 1 d .
H17A H 0.1046 0.7016 0.0641 0.040 Uiso 1 1 calc R
C3 C 0.2806(6) 0.2766(3) 0.1651(8) 0.042(2) Uani 1 1 d .
H3A H 0.3287 0.2616 0.1412 0.050 Uiso 1 1 calc R
C36 C 0.4964(6) 0.2189(3) -0.0419(7) 0.037(2) Uani 1 1 d .
C24 C 0.1315(5) 0.8602(3) 0.0196(7) 0.041(2) Uani 1 1 d .
H24A H 0.1160 0.8839 -0.0441 0.049 Uiso 1 1 calc R
O12 O 0.3804(3) 0.4655(2) 0.1218(5) 0.0393(14) Uani 1 1 d .
C26 C 0.1345(7) 0.8297(3) 0.2397(8) 0.061(3) Uani 1 1 d .
H26A H 0.1212 0.8326 0.3279 0.073 Uiso 1 1 calc R
C33 C 0.4391(6) 0.3423(3) -0.1047(8) 0.046(2) Uani 1 1 d .
H33A H 0.4187 0.3380 -0.1948 0.055 Uiso 1 1 calc R
C42 C 0.4956(4) 0.0717(3) 0.0712(6) 0.0223(15) Uani 1 1 d .
C23 C 0.1756(5) 0.8213(3) -0.0165(8) 0.045(2) Uani 1 1 d .
H23A H 0.1908 0.8191 -0.1039 0.053 Uiso 1 1 calc R
C6 C 0.1398(5) 0.3214(3) 0.2318(8) 0.038(2) Uani 1 1 d .
H6A H 0.0912 0.3365 0.2535 0.045 Uiso 1 1 calc R
C5 C 0.1368(6) 0.2744(3) 0.1842(9) 0.052(3) Uani 1 1 d .
H5A H 0.0862 0.2577 0.1740 0.062 Uiso 1 1 calc R
C4 C 0.2076(6) 0.2528(3) 0.1528(8) 0.045(2) Uani 1 1 d .
C10 C 0.1572(6) 0.1330(3) 0.3845(8) 0.053(3) Uani 1 1 d .
H10A H 0.1648 0.1334 0.4783 0.063 Uiso 1 1 calc R
C32 C 0.4822(5) 0.3055(3) -0.0352(7) 0.0339(19) Uani 1 1 d .
O6 O 0.1285(3) 0.5357(2) 0.1595(5) 0.0369(13) Uani 1 1 d .
C40 C 0.5708(5) 0.1480(3) 0.0294(7) 0.0322(18) Uani 1 1 d .
H40A H 0.6212 0.1317 0.0493 0.039 Uiso 1 1 calc R
C44 C 0.3378(5) 0.5440(4) 0.8567(8) 0.055(3) Uani 1 1 d .
H44A H 0.3448 0.5776 0.8831 0.066 Uiso 1 1 calc R
H44B H 0.3772 0.5245 0.9137 0.066 Uiso 1 1 calc R
C34 C 0.4263(6) 0.3854(3) -0.0412(8) 0.046(2) Uani 1 1 d .
H34A H 0.3967 0.4102 -0.0879 0.055 Uiso 1 1 calc R
C9 C 0.1888(6) 0.1702(4) 0.3151(10) 0.059(3) Uiso 1 1 d .
H1WA H 0.2199 0.1945 0.3611 0.071 Uiso 1 1 calc R
O8 O 0.0327(3) 0.93847(18) 0.1123(4) 0.0262(11) Uani 1 1 d .
O13 O 0.4291(3) 0.04815(19) 0.0473(5) 0.0268(11) Uani 1 1 d .
O16 O 0.2758(3) 0.5086(2) 0.5226(5) 0.0328(13) Uani 1 1 d .
O9 O 0.0376(3) 0.90518(19) 0.3101(4) 0.0293(12) Uani 1 1 d .
O11 O 0.4741(3) 0.44271(18) 0.2847(4) 0.0257(11) 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'
Yb Yb -0.3850 5.5486 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O1 Yb1 O3 170.31(18) . 2
O1 Yb1 O4 84.69(19) . 4_565
O3 Yb1 O4 102.67(19) 2 4_565
O1 Yb1 O6 104.36(18) . .
O3 Yb1 O6 83.09(19) 2 .
O4 Yb1 O6 82.2(2) 4_565 .
O1 Yb1 O9 88.54(18) . 2_545
O3 Yb1 O9 86.91(18) 2 2_545
O4 Yb1 O9 77.81(17) 4_565 2_545
O6 Yb1 O9 155.05(17) . 2_545
O1 Yb1 O1W 78.87(18) . .
O3 Yb1 O1W 97.30(18) 2 .
O4 Yb1 O1W 148.18(18) 4_565 .
O6 Yb1 O1W 75.88(19) . .
O9 Yb1 O1W 128.23(17) 2_545 .
O1 Yb1 O8 87.19(17) . 2_545
O3 Yb1 O8 83.22(18) 2 2_545
O4 Yb1 O8 131.06(18) 4_565 2_545
O6 Yb1 O8 146.20(19) . 2_545
O9 Yb1 O8 53.78(15) 2_545 2_545
O1W Yb1 O8 75.42(17) . 2_545
O1 Yb1 C28 85.98(19) . 2_545
O3 Yb1 C28 86.09(19) 2 2_545
O4 Yb1 C28 104.3(2) 4_565 2_545
O6 Yb1 C28 168.4(2) . 2_545
O9 Yb1 C28 26.95(17) 2_545 2_545
O1W Yb1 C28 101.56(19) . 2_545
O8 Yb1 C28 26.91(17) 2_545 2_545
O14 Yb2 O2 176.81(17) 2_655 .
O14 Yb2 O7 87.33(18) 2_655 .
O2 Yb2 O7 95.11(18) . .
O14 Yb2 O13 91.35(18) 2_655 4_566
O2 Yb2 O13 87.30(18) . 4_566
O7 Yb2 O13 154.80(18) . 4_566
O14 Yb2 O16 91.54(19) 2_655 .
O2 Yb2 O16 90.99(18) . .
O7 Yb2 O16 77.38(18) . .
O13 Yb2 O16 77.50(17) 4_566 .
O14 Yb2 O11 91.66(17) 2_655 .
O2 Yb2 O11 85.19(17) . .
O7 Yb2 O11 131.15(17) . .
O13 Yb2 O11 74.04(16) 4_566 .
O16 Yb2 O11 151.42(17) . .
O14 Yb2 O12 100.68(19) 2_655 .
O2 Yb2 O12 77.89(19) . .
O7 Yb2 O12 77.96(18) . .
O13 Yb2 O12 126.87(17) 4_566 .
O16 Yb2 O12 151.84(17) . .
O11 Yb2 O12 54.26(16) . .
O14 Yb2 C35 103.1(2) 2_655 .
O2 Yb2 C35 74.3(2) . .
O7 Yb2 C35 105.8(2) . .
O13 Yb2 C35 98.99(19) 4_566 .
O16 Yb2 C35 165.1(2) . .
O11 Yb2 C35 27.70(18) . .
O12 Yb2 C35 27.90(18) . .
N2 C45 C44 101.4(6) . .
C7 O1 Yb1 149.3(4) . .
C42 O14 Yb2 147.1(5) . 2_645
C14 O3 Yb1 146.3(4) . 2_545
C7 O2 Yb2 144.1(5) . .
O16 C43 N1 126.8(6) . .
O16 C43 N2 124.8(6) . .
N1 C43 N2 108.2(6) . .
O8 C28 O9 120.2(7) . .
O8 C28 C25 121.2(6) . .
O9 C28 C25 118.6(6) . .
O8 C28 Yb1 62.2(4) . 2
O9 C28 Yb1 58.3(3) . 2
C25 C28 Yb1 171.6(5) . 2
O1 C7 O2 121.7(6) . .
O1 C7 C1 120.4(6) . .
O2 C7 C1 117.9(6) . .
O4 C14 O3 123.8(7) . .
O4 C14 C11 118.7(7) . .
O3 C14 C11 117.4(6) . .
C13 C12 C11 120.3(7) . .
O6 C21 O7 122.9(7) . .
O6 C21 C15 117.8(6) . .
O7 C21 C15 119.2(6) . .
C21 O7 Yb2 172.9(5) . .
C19 C18 O10 118.6(7) . .
C19 C18 C17 120.3(7) . .
O10 C18 C17 120.9(7) . .
C20 C15 C16 119.4(7) . .
C20 C15 C21 120.6(6) . .
C16 C15 C21 120.0(6) . .
C14 O4 Yb1 151.2(5) . 4_566
O11 C35 O12 118.6(6) . .
O11 C35 C29 118.9(6) . .
O12 C35 C29 122.3(6) . .
O11 C35 Yb2 59.3(3) . .
O12 C35 Yb2 63.8(3) . .
C29 C35 Yb2 153.8(5) . .
C10 C11 C12 117.8(7) . .
C10 C11 C14 121.5(6) . .
C12 C11 C14 120.7(6) . .
C26 C25 C24 117.7(7) . .
C26 C25 C28 118.5(6) . .
C24 C25 C28 123.8(7) . .
C9 C8 O5 122.8(8) . .
C9 C8 C13 119.4(8) . .
O5 C8 C13 117.7(7) . .
C8 O5 C4 116.8(6) . .
C22 O10 C18 120.5(6) . .
C40 C39 C38 118.7(7) . .
C40 C39 C42 119.8(6) . .
C38 C39 C42 121.2(6) . .
C15 C16 C17 120.4(7) . .
C30 C29 C34 119.2(7) . .
C30 C29 C35 119.5(6) . .
C34 C29 C35 121.1(7) . .
C2 C1 C6 118.7(7) . .
C2 C1 C7 120.9(6) . .
C6 C1 C7 120.4(6) . .
C12 C13 C8 120.9(7) . .
C19 C20 C15 120.2(7) . .
C43 N1 C44 112.9(6) . .
C37 C38 C39 121.3(7) . .
C1 C2 C3 121.0(7) . .
C18 C19 C20 120.7(7) . .
C32 O15 C36 119.7(6) . .
C27 C22 C23 119.4(7) . .
C27 C22 O10 121.5(7) . .
C23 C22 O10 119.0(7) . .
C40 C41 C36 119.5(8) . .
C29 C30 C31 121.8(7) . .
C38 C37 C36 118.1(7) . .
C43 N2 C45 113.8(6) . .
C30 C31 C32 119.0(7) . .
C22 C27 C26 119.3(8) . .
C16 C17 C18 119.0(7) . .
C4 C3 C2 120.0(8) . .
C41 C36 C37 121.9(7) . .
C41 C36 O15 119.3(8) . .
C37 C36 O15 118.4(8) . .
C23 C24 C25 121.3(7) . .
C35 O12 Yb2 88.3(4) . .
C25 C26 C27 121.8(8) . .
C32 C33 C34 120.1(7) . .
O13 C42 O14 123.1(7) . .
O13 C42 C39 119.7(6) . .
O14 C42 C39 117.2(6) . .
C24 C23 C22 120.5(7) . .
C1 C6 C5 119.7(8) . .
C4 C5 C6 119.8(8) . .
C3 C4 C5 120.8(8) . .
C3 C4 O5 118.5(8) . .
C5 C4 O5 120.7(9) . .
C9 C10 C11 122.1(8) . .
C33 C32 C31 120.0(7) . .
C33 C32 O15 117.0(7) . .
C31 C32 O15 123.0(7) . .
C21 O6 Yb1 137.8(5) . .
C41 C40 C39 120.5(7) . .
N1 C44 C45 103.6(6) . .
C29 C34 C33 119.9(8) . .
C10 C9 C8 119.4(9) . .
C28 O8 Yb1 90.9(4) . 2
C42 O13 Yb2 133.9(4) . 4_565
C43 O16 Yb2 138.4(4) . .
C28 O9 Yb1 94.8(4) . 2
C35 O11 Yb2 93.0(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Yb1 O1 2.214(5) .
Yb1 O3 2.224(5) 2
Yb1 O4 2.261(5) 4_565
Yb1 O6 2.275(5) .
Yb1 O9 2.355(5) 2_545
Yb1 O1W 2.358(5) .
Yb1 O8 2.440(4) 2_545
Yb1 C28 2.759(7) 2_545
Yb2 O14 2.227(5) 2_655
Yb2 O2 2.243(5) .
Yb2 O7 2.248(5) .
Yb2 O13 2.301(5) 4_566
Yb2 O16 2.344(4) .
Yb2 O11 2.347(4) .
Yb2 O12 2.446(5) .
Yb2 C35 2.725(7) .
C45 N2 1.459(11) .
C45 C44 1.498(11) .
O1 C7 1.248(7) .
O14 C42 1.260(8) .
O14 Yb2 2.227(5) 2_645
O3 C14 1.250(8) .
O3 Yb1 2.224(5) 2_545
O2 C7 1.272(7) .
C43 O16 1.254(8) .
C43 N1 1.311(9) .
C43 N2 1.311(9) .
C28 O8 1.249(8) .
C28 O9 1.255(8) .
C28 C25 1.484(10) .
C28 Yb1 2.759(7) 2
C7 C1 1.487(10) .
C14 O4 1.243(8) .
C14 C11 1.486(9) .
C12 C13 1.362(10) .
C12 C11 1.386(9) .
C21 O6 1.247(8) .
C21 O7 1.246(8) .
C21 C15 1.481(9) .
C18 C19 1.357(10) .
C18 O10 1.390(9) .
C18 C17 1.392(10) .
C15 C20 1.378(9) .
C15 C16 1.382(9) .
O4 Yb1 2.261(5) 4_566
C35 O11 1.269(8) .
C35 O12 1.276(8) .
C35 C29 1.484(9) .
C11 C10 1.377(10) .
C25 C26 1.371(11) .
C25 C24 1.371(10) .
C8 C9 1.366(11) .
C8 O5 1.367(9) .
C8 C13 1.381(11) .
O5 C4 1.377(10) .
O10 C22 1.382(9) .
C39 C40 1.388(10) .
C39 C38 1.396(10) .
C39 C42 1.489(9) .
C16 C17 1.384(10) .
C29 C30 1.357(10) .
C29 C34 1.379(10) .
C1 C2 1.359(9) .
C1 C6 1.375(9) .
C20 C19 1.373(10) .
N1 C44 1.445(10) .
C38 C37 1.374(11) .
C2 C3 1.366(11) .
O15 C32 1.382(9) .
O15 C36 1.403(9) .
C22 C27 1.367(11) .
C22 C23 1.372(11) .
C41 C40 1.367(11) .
C41 C36 1.375(11) .
C30 C31 1.375(10) .
C37 C36 1.380(11) .
C31 C32 1.373(10) .
C27 C26 1.374(11) .
C3 C4 1.340(12) .
C24 C23 1.357(11) .
C33 C32 1.377(11) .
C33 C34 1.378(11) .
C42 O13 1.254(8) .
C6 C5 1.386(12) .
C5 C4 1.350(12) .
C10 C9 1.366(12) .
O8 Yb1 2.440(4) 2
O13 Yb2 2.301(5) 4_565
O9 Yb1 2.355(5) 2
