#------------------------------------------------------------------------------
#$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $
#$Revision: 287519 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/03/06/7030655.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_7030655
loop_
_publ_author_name
'Fang, Ming'
'Zhao, Bin'
'Zuo, Ya'
'Chen, Jun'
'Shi, Wei'
'Liang, Jing'
'Cheng, Peng'
_publ_section_title
;
 Unique two-fold interpenetration of 3D microporous 3d-4f
 heterometal-organic frameworks (HMOF) based on a rigid ligand.
;
_journal_issue                   37
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7765
_journal_page_last               7770
_journal_paper_doi               10.1039/b903737c
_journal_year                    2009
_chemical_formula_sum            'C36 H26.5 Cu1.5 N6 O16.25 Yb'
_chemical_formula_weight         1071.48
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 109.30(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   24.814(5)
_cell_length_b                   12.254(3)
_cell_length_c                   26.883(5)
_cell_measurement_temperature    293(2)
_cell_volume                     7715(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0668
_diffrn_reflns_av_sigmaI/netI    0.0620
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            27905
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.15
_exptl_absorpt_coefficient_mu    3.312
_exptl_absorpt_correction_T_max  0.8789
_exptl_absorpt_correction_T_min  0.6193
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_density_diffrn    1.845
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4224
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.004
_refine_diff_density_min         -0.861
_refine_diff_density_rms         0.151
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     596
_refine_ls_number_reflns         6687
_refine_ls_number_restraints     39
_refine_ls_restrained_S_all      1.081
_refine_ls_R_factor_all          0.0575
_refine_ls_R_factor_gt           0.0452
_refine_ls_shift/su_max          0.029
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0542P)²+47.8652P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1080
_refine_ls_wR_factor_ref         0.1146
_reflns_number_gt                5622
_reflns_number_total             6687
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b903737c.txt
_cod_data_source_block           r71208d
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'C36 H26.50 Cu1.50 N6 O16.25 Yb'
_cod_database_code               7030655
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Yb1 Yb 0.169078(8) 0.466684(14) 0.046088(7) 0.01543(5) Uani 1 1 d .
Cu1 Cu 0.0000 0.50757(6) 0.2500 0.02274(18) Uani 1 2 d SD
Cu2 Cu 0.36335(2) 0.46266(4) -0.13416(2) 0.01917(13) Uani 1 1 d .
C1 C 0.0813(2) 0.6595(4) 0.34686(18) 0.0300(12) Uani 1 1 d .
H1 H 0.0520 0.6522 0.3610 0.036 Uiso 1 1 calc R
C2 C 0.1306(2) 0.7277(4) 0.37836(17) 0.0282(11) Uani 1 1 d .
H2 H 0.1277 0.7609 0.4085 0.034 Uiso 1 1 calc R
C3 C 0.17739(19) 0.7449(4) 0.36734(16) 0.0228(10) Uani 1 1 d .
C4 C 0.1712(2) 0.6905(3) 0.32360(16) 0.0208(10) Uani 1 1 d .
H4 H 0.2016 0.6913 0.3107 0.025 Uiso 1 1 calc R
C5 C 0.11897(19) 0.6271(3) 0.29264(16) 0.0194(10) Uani 1 1 d .
C6 C 0.10605(18) 0.5709(3) 0.24403(16) 0.0184(10) Uani 1 1 d .
C7 C 0.1446(2) 0.5817(4) 0.22310(16) 0.0228(10) Uani 1 1 d .
H7 H 0.1791 0.6182 0.2376 0.027 Uiso 1 1 calc R
C8 C 0.1265(2) 0.5307(3) 0.17568(17) 0.0207(11) Uani 1 1 d .
C9 C 0.0712(2) 0.4714(4) 0.15075(19) 0.0267(12) Uani 1 1 d .
H9 H 0.0639 0.4404 0.1176 0.032 Uiso 1 1 calc R
C10 C 0.0351(2) 0.4627(4) 0.1732(2) 0.0308(13) Uani 1 1 d .
H10 H 0.0003 0.4265 0.1600 0.037 Uiso 1 1 calc R
C11 C 0.2317(2) 0.8199(4) 0.39888(17) 0.0245(11) Uani 1 1 d .
C12 C 0.1648(2) 0.5435(4) 0.15013(17) 0.0257(11) Uani 1 1 d .
C13 C 0.3004(2) 0.4306(4) -0.06466(18) 0.0265(11) Uani 1 1 d .
H13 H 0.3291 0.3818 -0.0472 0.032 Uiso 1 1 calc R
C14 C 0.2582(2) 0.4506(4) -0.05001(17) 0.0251(11) Uani 1 1 d .
H14 H 0.2562 0.4154 -0.0201 0.030 Uiso 1 1 calc R
C15 C 0.2109(2) 0.5283(4) -0.07812(19) 0.0255(11) Uani 1 1 d .
C16 C 0.2091(2) 0.5816(4) -0.12004(17) 0.0239(11) Uani 1 1 d .
H16 H 0.1806 0.6300 -0.1385 0.029 Uiso 1 1 calc R
C17 C 0.2547(2) 0.5553(4) -0.13187(17) 0.0216(11) Uani 1 1 d .
C18 C 0.25175(19) 0.6009(3) -0.17875(16) 0.0206(10) Uani 1 1 d .
C19 C 0.2091(2) 0.6785(3) -0.21156(16) 0.0205(10) Uani 1 1 d .
H19 H 0.1816 0.7057 -0.1983 0.025 Uiso 1 1 calc R
C20 C 0.20796(19) 0.7096(4) -0.25638(17) 0.0212(11) Uani 1 1 d .
C21 C 0.24801(19) 0.6571(3) -0.26884(17) 0.0217(10) Uani 1 1 d .
H21 H 0.2492 0.6673 -0.3027 0.026 Uiso 1 1 calc R
C22 C 0.2914(2) 0.5830(4) -0.23368(16) 0.0226(10) Uani 1 1 d .
H22 H 0.3185 0.5537 -0.2469 0.027 Uiso 1 1 calc R
C23 C 0.1613(2) 0.5510(4) -0.06417(17) 0.0233(11) Uani 1 1 d .
C24 C 0.1673(2) 0.8016(4) -0.29003(19) 0.0273(12) Uani 1 1 d .
C25 C 0.4109(2) 0.6968(4) -0.10450(17) 0.0248(11) Uani 1 1 d .
H25 H 0.3741 0.7209 -0.1228 0.030 Uiso 1 1 calc R
C26 C 0.4579(2) 0.7742(4) -0.07833(17) 0.0239(11) Uani 1 1 d .
H26 H 0.4485 0.8478 -0.0794 0.029 Uiso 1 1 calc R
C27 C 0.52078(18) 0.7431(3) -0.04964(15) 0.0191(10) Uani 1 1 d D
C28 C 0.5348(2) 0.6331(3) -0.04718(16) 0.0210(10) Uani 1 1 d .
H28 H 0.5722 0.6085 -0.0320 0.025 Uiso 1 1 calc R
C29 C 0.48632(19) 0.5574(3) -0.07037(16) 0.0183(10) Uani 1 1 d .
C30 C 0.4965(2) 0.4386(4) -0.06234(17) 0.0227(10) Uani 1 1 d .
C31 C 0.5548(2) 0.3902(3) -0.03227(17) 0.0246(11) Uani 1 1 d .
H31 H 0.5866 0.4352 -0.0201 0.029 Uiso 1 1 calc R
C32 C 0.5601(2) 0.2775(3) -0.02303(17) 0.0276(12) Uani 1 1 d D
C33 C 0.5029(2) 0.2193(3) -0.04652(16) 0.0252(12) Uani 1 1 d .
H33 H 0.5028 0.1443 -0.0413 0.030 Uiso 1 1 calc R
C34 C 0.4456(2) 0.2714(4) -0.07771(16) 0.0242(11) Uani 1 1 d .
H34 H 0.4133 0.2281 -0.0911 0.029 Uiso 1 1 calc R
C35 C 0.57289(18) 0.8235(3) -0.01829(16) 0.0198(10) Uani 1 1 d D
C36 C 0.6212(2) 0.2228(4) 0.00949(19) 0.0342(14) Uani 1 1 d D
N1 N 0.42449(16) 0.5890(3) -0.10023(14) 0.0212(9) Uani 1 1 d .
N2 N 0.44201(16) 0.3797(3) -0.08577(13) 0.0205(9) Uani 1 1 d .
N3 N 0.30011(17) 0.4817(3) -0.10445(14) 0.0231(9) Uani 1 1 d .
N4 N 0.29464(16) 0.5574(3) -0.18924(13) 0.0196(9) Uani 1 1 d .
N5 N 0.05399(16) 0.5124(3) 0.21816(14) 0.0246(9) Uani 1 1 d D
N6 N 0.07357(16) 0.6107(3) 0.30425(14) 0.0234(9) Uani 1 1 d .
O1 O 0.62140(17) 0.1313(2) 0.02576(13) 0.0437(9) Uani 1 1 d .
O2 O 0.6700(2) 0.2737(3) 0.0206(2) 0.0734(18) Uani 1 1 d .
O3 O 0.62950(14) 0.7950(2) 0.00113(13) 0.0274(8) Uani 1 1 d .
O4 O 0.55932(14) 0.9175(2) -0.01072(13) 0.0287(8) Uani 1 1 d .
O5 O 0.18038(14) 0.8352(2) -0.32375(11) 0.0249(8) Uani 1 1 d .
O6 O 0.12608(15) 0.8422(3) -0.28382(13) 0.0428(9) Uani 1 1 d .
O7 O 0.11524(17) 0.6084(4) -0.09419(14) 0.0547(12) Uani 1 1 d .
O8 O 0.17170(15) 0.5054(3) -0.02321(13) 0.0396(9) Uani 1 1 d .
O9 O 0.25496(19) 0.5735(4) 0.10755(19) 0.0795(14) Uani 1 1 d .
O10 O 0.14403(15) 0.4890(3) 0.10822(12) 0.0293(8) Uani 1 1 d .
O11 O 0.21040(16) 0.6053(3) 0.17083(13) 0.0459(9) Uani 1 1 d .
O12 O 0.27399(13) 0.8303(3) 0.38813(11) 0.0287(8) Uani 1 1 d .
O13 O 0.23547(14) 0.8714(3) 0.43673(12) 0.0298(8) Uani 1 1 d .
O14 O 0.0000 0.3463(7) 0.2500 0.102(3) Uani 1 2 d SU
O15 O -0.0576(4) 0.3641(12) 0.2004(4) 0.106(4) Uani 0.50 1 d PU
O16 O 0.1334(6) 0.0168(14) 0.2990(5) 0.043(3) Uani 0.25 1 d PU
O17 O 0.0673(10) 0.983(2) 0.2282(10) 0.060(5) Uani 0.20 1 d PU
O18 O 0.0455(6) 0.8536(11) 0.2363(6) 0.049(4) Uani 0.25 1 d P
O19 O 1.0109(9) 0.0133(17) 0.1643(7) 0.068(5) Uani 0.25 1 d PU
O20 O 0.9415(6) 0.0147(10) 0.1710(5) 0.041(3) Uani 0.30 1 d PU
O21 O 0.2956(4) 0.6925(7) 0.0551(4) 0.075(3) Uani 0.50 1 d P
O22 O 0.1392(3) 0.0011(7) 0.4292(3) 0.0424(18) Uani 0.50 1 d PU
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'
Cu Cu 0.3201 1.2651 '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
O8 Yb1 O10 153.14(14) . .
O8 Yb1 O1 74.77(14) . 3_455
O10 Yb1 O1 78.50(13) . 3_455
O8 Yb1 O3 82.65(13) . 3_445
O10 Yb1 O3 110.22(13) . 3_445
O1 Yb1 O3 122.66(12) 3_455 3_445
O8 Yb1 O12 130.54(13) . 4_545
O10 Yb1 O12 75.99(12) . 4_545
O1 Yb1 O12 151.08(11) 3_455 4_545
O3 Yb1 O12 79.44(11) 3_445 4_545
O8 Yb1 O13 87.81(13) . 4_545
O10 Yb1 O13 116.26(12) . 4_545
O1 Yb1 O13 144.81(12) 3_455 4_545
O3 Yb1 O13 83.87(11) 3_445 4_545
O12 Yb1 O13 44.81(10) 4_545 4_545
O8 Yb1 O9 102.00(16) . .
O10 Yb1 O9 79.24(15) . .
O1 Yb1 O9 87.63(15) 3_455 .
O3 Yb1 O9 149.14(14) 3_445 .
O12 Yb1 O9 74.48(14) 4_545 .
O13 Yb1 O9 66.04(13) 4_545 .
O8 Yb1 O4 81.96(13) . 3_445
O10 Yb1 O4 88.22(12) . 3_445
O1 Yb1 O4 73.77(11) 3_455 3_445
O3 Yb1 O4 51.02(10) 3_445 3_445
O12 Yb1 O4 118.45(10) 4_545 3_445
O13 Yb1 O4 134.57(10) 4_545 3_445
O9 Yb1 O4 159.39(13) . 3_445
O8 Yb1 C35 82.08(14) . 3_445
O10 Yb1 C35 98.91(13) . 3_445
O1 Yb1 C35 97.26(12) 3_455 3_445
O3 Yb1 C35 26.77(11) 3_445 3_445
O12 Yb1 C35 99.92(11) 4_545 3_445
O13 Yb1 C35 110.56(11) 4_545 3_445
O9 Yb1 C35 174.36(14) . 3_445
O4 Yb1 C35 24.26(10) 3_445 3_445
O8 Yb1 C11 109.59(14) . 4_545
O10 Yb1 C11 95.82(13) . 4_545
O1 Yb1 C11 155.32(13) 3_455 4_545
O3 Yb1 C11 81.92(11) 3_445 4_545
O12 Yb1 C11 22.43(11) 4_545 4_545
O13 Yb1 C11 22.42(11) 4_545 4_545
O9 Yb1 C11 67.69(15) . 4_545
O4 Yb1 C11 130.47(11) 3_445 4_545
C35 Yb1 C11 107.38(12) 3_445 4_545
N5 Cu1 N5 176.3(2) 2 .
N5 Cu1 O14 91.87(12) 2 .
N5 Cu1 O14 91.87(12) . .
N5 Cu1 N6 103.76(15) 2 .
N5 Cu1 N6 74.11(15) . .
O14 Cu1 N6 123.31(10) . .
N5 Cu1 N6 74.11(15) 2 2
N5 Cu1 N6 103.77(15) . 2
O14 Cu1 N6 123.31(10) . 2
N6 Cu1 N6 113.38(19) . 2
N5 Cu1 O15 83.6(3) 2 .
N5 Cu1 O15 99.2(3) . .
O14 Cu1 O15 42.3(3) . .
N6 Cu1 O15 164.9(3) . .
N6 Cu1 O15 81.2(3) 2 .
N5 Cu1 O15 99.2(3) 2 2
N5 Cu1 O15 83.6(3) . 2
O14 Cu1 O15 42.3(3) . 2
N6 Cu1 O15 81.2(3) . 2
N6 Cu1 O15 164.9(3) 2 2
O15 Cu1 O15 84.6(6) . 2
N3 Cu2 O5 88.10(14) . 4_544
N3 Cu2 N1 106.50(15) . .
O5 Cu2 N1 165.38(14) 4_544 .
N3 Cu2 N4 70.64(14) . .
O5 Cu2 N4 82.93(13) 4_544 .
N1 Cu2 N4 100.84(14) . .
N3 Cu2 N2 118.53(14) . .
O5 Cu2 N2 100.41(13) 4_544 .
N1 Cu2 N2 73.66(13) . .
N4 Cu2 N2 170.12(14) . .
N6 C1 C2 129.6(4) . .
N6 C1 H1 115.2 . .
C2 C1 H1 115.2 . .
C3 C2 C1 125.8(4) . .
C3 C2 H2 117.1 . .
C1 C2 H2 117.1 . .
C2 C3 C4 105.7(4) . .
C2 C3 C11 128.4(4) . .
C4 C3 C11 125.9(4) . .
C3 C4 C5 125.6(4) . .
C3 C4 H4 117.2 . .
C5 C4 H4 117.2 . .
N6 C5 C6 101.5(4) . .
N6 C5 C4 127.7(4) . .
C6 C5 C4 130.7(4) . .
C7 C6 C5 112.7(4) . .
C7 C6 N5 121.7(4) . .
C5 C6 N5 125.5(4) . .
C6 C7 C8 107.8(4) . .
C6 C7 H7 126.1 . .
C8 C7 H7 126.1 . .
C12 C8 C7 110.8(4) . .
C12 C8 C9 121.4(4) . .
C7 C8 C9 127.8(4) . .
C10 C9 C8 121.7(4) . .
C10 C9 H9 119.1 . .
C8 C9 H9 119.1 . .
C9 C10 N5 108.5(5) . .
C9 C10 H10 125.8 . .
N5 C10 H10 125.8 . .
O13 C11 O12 109.3(4) . .
O13 C11 C3 124.9(4) . .
O12 C11 C3 125.8(4) . .
O13 C11 Yb1 55.6(2) . 4
O12 C11 Yb1 53.8(2) . 4
C3 C11 Yb1 177.5(3) . 4
O10 C12 O11 135.9(5) . .
O10 C12 C8 104.1(4) . .
O11 C12 C8 120.0(4) . .
N3 C13 C14 113.9(5) . .
N3 C13 H13 123.1 . .
C14 C13 H13 123.1 . .
C13 C14 C15 123.9(4) . .
C13 C14 H14 118.1 . .
C15 C14 H14 118.1 . .
C16 C15 C23 110.2(4) . .
C16 C15 C14 123.7(5) . .
C23 C15 C14 126.1(4) . .
C15 C16 C17 107.6(4) . .
C15 C16 H16 126.2 . .
C17 C16 H16 126.2 . .
C16 C17 C18 109.8(4) . .
C16 C17 N3 128.4(4) . .
C18 C17 N3 121.6(4) . .
N4 C18 C17 103.7(4) . .
N4 C18 C19 127.6(4) . .
C17 C18 C19 128.7(4) . .
C20 C19 C18 123.5(4) . .
C20 C19 H19 118.3 . .
C18 C19 H19 118.3 . .
C19 C20 C21 108.5(4) . .
C19 C20 C24 125.0(4) . .
C21 C20 C24 126.5(4) . .
C20 C21 C22 125.9(4) . .
C20 C21 H21 117.0 . .
C22 C21 H21 117.0 . .
N4 C22 C21 125.7(4) . .
N4 C22 H22 117.1 . .
C21 C22 H22 117.1 . .
O8 C23 O7 132.8(5) . .
O8 C23 C15 102.1(4) . .
O7 C23 C15 125.1(4) . .
O5 C24 O6 116.3(5) . .
O5 C24 C20 114.8(4) . .
O6 C24 C20 128.9(4) . .
N1 C25 C26 116.5(4) . .
N1 C25 H25 121.8 . .
C26 C25 H25 121.8 . .
C25 C26 C27 125.8(4) . .
C25 C26 H26 117.1 . .
C27 C26 H26 117.1 . .
C28 C27 C26 117.4(4) . .
C28 C27 C35 114.9(4) . .
C26 C27 C35 127.7(3) . .
C27 C28 C29 115.5(4) . .
C27 C28 H28 122.3 . .
C29 C28 H28 122.3 . .
C30 C29 C28 118.5(4) . .
C30 C29 N1 114.8(4) . .
C28 C29 N1 126.6(4) . .
N2 C30 C29 109.2(4) . .
N2 C30 C31 127.6(4) . .
C29 C30 C31 123.1(4) . .
C32 C31 C30 119.6(4) . .
C32 C31 H31 120.2 . .
C30 C31 H31 120.2 . .
C31 C32 C33 111.5(4) . .
C31 C32 C36 121.2(4) . .
C33 C32 C36 127.3(4) . .
C32 C33 C34 126.9(4) . .
C32 C33 H33 116.6 . .
C34 C33 H33 116.6 . .
N2 C34 C33 120.1(4) . .
N2 C34 H34 120.0 . .
C33 C34 H34 120.0 . .
O4 C35 O3 118.4(4) . .
O4 C35 C27 116.0(4) . .
O3 C35 C27 125.7(3) . .
O4 C35 Yb1 64.5(2) . 3
O3 C35 Yb1 53.95(18) . 3
C27 C35 Yb1 176.4(3) . 3
O1 C36 O2 118.0(5) . .
O1 C36 C32 118.1(4) . .
O2 C36 C32 123.8(4) . .
C25 N1 C29 118.0(4) . .
C25 N1 Cu2 123.0(3) . .
C29 N1 Cu2 119.1(2) . .
C34 N2 C30 114.3(4) . .
C34 N2 Cu2 123.4(3) . .
C30 N2 Cu2 122.3(3) . .
C13 N3 C17 122.5(4) . .
C13 N3 Cu2 120.4(4) . .
C17 N3 Cu2 117.0(3) . .
C22 N4 C18 108.4(4) . .
C22 N4 Cu2 126.0(3) . .
C18 N4 Cu2 125.5(3) . .
C10 N5 C6 132.5(4) . .
C10 N5 Cu1 109.2(3) . .
C6 N5 Cu1 118.2(3) . .
C1 N6 C5 105.5(4) . .
C1 N6 Cu1 133.9(3) . .
C5 N6 Cu1 120.6(3) . .
C36 O1 Yb1 147.2(4) . 3_545
C35 O3 Yb1 99.3(2) . 3
C35 O4 Yb1 91.3(3) . 3
C24 O5 Cu2 119.0(3) . 4_554
C23 O8 Yb1 159.9(4) . .
C12 O10 Yb1 132.4(3) . .
C11 O12 Yb1 103.8(3) . 4
C11 O13 Yb1 102.0(3) . 4
O15 O14 Cu1 82.2(6) 2 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Yb1 O8 1.944(3) .
Yb1 O10 1.984(3) .
Yb1 O1 2.311(3) 3_455
Yb1 O3 2.463(3) 3_445
Yb1 O12 2.503(3) 4_545
Yb1 O13 2.542(3) 4_545
Yb1 O9 2.580(4) .
Yb1 O4 2.714(3) 3_445
Yb1 C35 3.007(4) 3_445
Yb1 C11 3.013(5) 4_545
Cu1 N5 1.814(4) 2
Cu1 N5 1.814(4) .
Cu1 O14 1.977(9) .
Cu1 N6 2.302(4) .
Cu1 N6 2.302(4) 2
Cu1 O15 2.378(14) .
Cu1 O15 2.378(14) 2
Cu2 N3 1.996(4) .
Cu2 O5 2.021(3) 4_544
Cu2 N1 2.149(4) .
Cu2 N4 2.186(4) .
Cu2 N2 2.204(4) .
C1 N6 1.249(6) .
C1 C2 1.492(7) .
C1 H1 0.9300 .
C2 C3 1.308(7) .
C2 H2 0.9300 .
C3 C4 1.316(6) .
C3 C11 1.619(6) .
C4 C5 1.504(6) .
C4 H4 0.9300 .
C5 N6 1.280(6) .
C5 C6 1.417(6) .
C6 C7 1.266(6) .
C6 N5 1.440(6) .
C7 C8 1.356(6) .
C7 H7 0.9300 .
C8 C12 1.354(7) .
C8 C9 1.500(7) .
C9 C10 1.240(8) .
C9 H9 0.9300 .
C10 N5 1.295(6) .
C10 H10 0.9300 .
C11 O13 1.175(5) .
C11 O12 1.184(6) .
C11 Yb1 3.013(5) 4
C12 O10 1.264(5) .
C12 O11 1.322(6) .
C13 N3 1.238(6) .
C13 C14 1.257(7) .
C13 H13 0.9300 .
C14 C15 1.507(7) .
C14 H14 0.9300 .
C15 C16 1.291(6) .
C15 C23 1.428(7) .
C16 C17 1.313(7) .
C16 H16 0.9300 .
C17 C18 1.358(6) .
C17 N3 1.442(6) .
C18 N4 1.302(6) .
C18 C19 1.479(6) .
C19 C20 1.256(6) .
C19 H19 0.9300 .
C20 C21 1.317(7) .
C20 C24 1.581(6) .
C21 C22 1.484(6) .
C21 H21 0.9300 .
C22 N4 1.212(5) .
C22 H22 0.9300 .
C23 O8 1.185(5) .
C23 O7 1.356(6) .
C24 O5 1.136(6) .
C24 O6 1.199(6) .
C25 N1 1.358(6) .
C25 C26 1.487(6) .
C25 H25 0.9300 .
C26 C27 1.543(6) .
C26 H26 0.9300 .
C27 C28 1.389(6) .
C27 C35 1.622(5) .
C28 C29 1.484(6) .
C28 H28 0.9300 .
C29 C30 1.482(6) .
C29 N1 1.528(6) .
C30 N2 1.478(6) .
C30 C31 1.523(6) .
C31 C32 1.403(6) .
C31 H31 0.9300 .
C32 C33 1.526(7) .
C32 C36 1.623(6) .
C33 C34 1.530(7) .
C33 H33 0.9300 .
C34 N2 1.342(5) .
C34 H34 0.9300 .
C35 O4 1.236(5) .
C35 O3 1.372(5) .
C35 Yb1 3.007(4) 3
C36 O1 1.203(6) .
C36 O2 1.307(7) .
O1 Yb1 2.311(3) 3_545
O3 Yb1 2.463(3) 3
O4 Yb1 2.714(3) 3
O5 Cu2 2.021(3) 4_554
O12 Yb1 2.503(3) 4
O13 Yb1 2.542(3) 4
O14 O15 1.616(10) 2
O17 O18 1.71(3) .
O19 O20 1.79(3) .
_cod_duplicate_entry 7002237
