#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:57:22 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179221 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/45/4314543.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_4314543
loop_
_publ_author_name
'Qi-Bing Bo'
'Guo-Xin Sun'
'Dong-Ling Geng'
_publ_section_title
;
 Novel Three-Dimensional Pillared-Layer Ln(III)-Cu(I) Coordination
 Polymers Featuring Spindle-Shaped Heterometallic Building Units
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              561
_journal_page_last               571
_journal_paper_doi               10.1021/ic901730f
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'C51 H33 Cu3 Er N9 O12, 4(H2 O)'
_chemical_formula_sum            'C51 H41 Cu3 Er N9 O16'
_chemical_formula_weight         1393.81
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 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                 105.175(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.593(2)
_cell_length_b                   10.4448(12)
_cell_length_c                   21.641(2)
_cell_measurement_reflns_used    8999
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.02
_cell_measurement_theta_min      1.79
_cell_volume                     5146.9(9)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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      298(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_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  0.0552
_diffrn_reflns_av_sigmaI/netI    0.0667
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            24590
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.79
_exptl_absorpt_coefficient_mu    2.918
_exptl_absorpt_correction_T_max  0.4849
_exptl_absorpt_correction_T_min  0.3471
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellowish
_exptl_crystal_density_diffrn    1.799
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2772
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.29
_refine_diff_density_max         3.151
_refine_diff_density_min         -5.327
_refine_diff_density_rms         0.241
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     724
_refine_ls_number_reflns         8999
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.1164
_refine_ls_R_factor_gt           0.0988
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.4090P)²+1.8976P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.4074
_refine_ls_wR_factor_ref         0.4327
_reflns_number_gt                7151
_reflns_number_total             8999
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic901730f_si_002_7.cif
_cod_data_source_block           Er-Cu
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN'
changed to 'multi-scan' according to the built-in table from CIF Core
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4314543
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Er1 Er 0.0000 0.77124(9) 0.7500 0.0228(4) Uani 1 2 d S . .
Er2 Er 0.5000 0.46657(9) 0.2500 0.0227(4) Uani 1 2 d S . .
Cu1 Cu 0.21374(11) 0.6679(3) 0.79018(10) 0.0399(7) Uani 1 1 d . . .
Cu2 Cu 0.26947(12) 0.6360(2) 0.30534(10) 0.0429(7) Uani 1 1 d . . .
Cu3 Cu 0.68635(11) 0.0468(2) 0.37775(10) 0.0371(6) Uani 1 1 d . . .
N1 N 0.0477(6) 0.8972(14) 0.6812(7) 0.032(3) Uani 1 1 d . . .
N2 N 0.0000 0.5372(18) 0.7500 0.028(4) Uani 1 2 d S . .
N3 N 0.4819(6) 0.3612(14) 0.3470(7) 0.031(3) Uani 1 1 d . . .
N4 N 0.5000 0.702(2) 0.2500 0.036(5) Uani 1 2 d S . .
N5 N 0.2282(7) 0.6825(15) 0.7067(7) 0.033(3) Uani 1 1 d . . .
N6 N 0.2601(7) 0.6560(14) 0.3907(7) 0.033(3) Uani 1 1 d . . .
N7 N 0.2223(6) 0.6922(14) 0.8803(7) 0.028(3) Uani 1 1 d . . .
N8 N 0.2582(7) 0.6564(14) 1.2166(6) 0.031(3) Uani 1 1 d . . .
N9 N 0.6948(7) 0.0042(15) 0.4651(7) 0.032(3) Uani 1 1 d . . .
N10 N 0.6904(7) -0.0426(14) 0.7915(7) 0.032(3) Uani 1 1 d . . .
O1 O 0.0681(6) 0.9283(12) 0.8038(6) 0.036(3) Uani 1 1 d . . .
O2 O 0.1327(6) 1.0846(12) 0.8043(7) 0.043(3) Uani 1 1 d . . .
O3 O -0.0244(6) 0.7053(13) 0.6395(6) 0.037(3) Uani 1 1 d . . .
O4 O -0.0255(9) 0.7386(17) 0.5372(7) 0.068(5) Uani 1 1 d . . .
O5 O 0.0935(5) 0.6731(11) 0.7588(6) 0.032(3) Uani 1 1 d . . .
O6 O 0.1528(5) 0.5023(12) 0.7751(6) 0.032(3) Uani 1 1 d . . .
O7 O 0.4127(6) 0.5339(12) 0.2783(6) 0.038(3) Uani 1 1 d . . .
O8 O 0.3516(6) 0.5222(14) 0.3423(7) 0.046(4) Uani 1 1 d . . .
O9 O 0.5645(5) 0.2955(12) 0.2936(6) 0.032(3) Uani 1 1 d . . .
O10 O 0.6034(6) 0.1577(12) 0.3725(6) 0.037(3) Uani 1 1 d . . .
O11 O 0.4458(6) 0.5611(12) 0.1530(6) 0.039(3) Uani 1 1 d . . .
O12 O 0.4230(6) 0.7331(13) 0.0889(6) 0.041(3) Uani 1 1 d . . .
O13 O 0.9212(9) 0.497(2) 0.9979(14) 0.107(8) Uani 1 1 d . . .
H13C H 0.9357 0.4274 1.0151 0.129 Uiso 1 1 d R . .
H13D H 0.9274 0.5014 0.9612 0.129 Uiso 1 1 d R . .
O14 O 0.9460(16) 0.528(2) 0.3826(13) 0.139(11) Uani 1 1 d . . .
H14C H 0.9655 0.4635 0.3767 0.167 Uiso 1 1 d R . .
H14D H 0.9700 0.5864 0.3995 0.167 Uiso 1 1 d R . .
O15 O 0.8929(10) 0.951(3) 0.0602(13) 0.112(9) Uani 1 1 d . . .
H15C H 0.9033 0.9831 0.0973 0.134 Uiso 1 1 d R . .
H15D H 0.9137 0.8852 0.0595 0.134 Uiso 1 1 d R . .
O16 O 0.0310(11) 0.729(2) 0.4431(12) 0.100(7) Uani 1 1 d . . .
H16C H 0.0101 0.7491 0.4680 0.120 Uiso 1 1 d R . .
H16D H 0.0479 0.6590 0.4559 0.120 Uiso 1 1 d R . .
C1 C 0.0971(7) 1.0051(16) 0.7781(8) 0.029(4) Uani 1 1 d . . .
C2 C 0.0831(8) 0.9903(17) 0.7044(9) 0.033(4) Uani 1 1 d . . .
C3 C 0.1058(9) 1.0727(19) 0.6666(10) 0.042(4) Uani 1 1 d . . .
H3 H 0.1302 1.1405 0.6847 0.051 Uiso 1 1 calc R . .
C4 C 0.0915(9) 1.051(2) 0.6025(11) 0.045(5) Uani 1 1 d . . .
H4 H 0.1067 1.1043 0.5761 0.054 Uiso 1 1 calc R . .
C5 C 0.0549(10) 0.954(2) 0.5764(10) 0.045(5) Uani 1 1 d . . .
H5 H 0.0456 0.9373 0.5326 0.055 Uiso 1 1 calc R . .
C6 C 0.0320(8) 0.8786(18) 0.6172(9) 0.036(4) Uani 1 1 d . . .
C7 C -0.0112(9) 0.7689(19) 0.5978(10) 0.042(5) Uani 1 1 d . . .
C8 C 0.1031(7) 0.5552(15) 0.7653(8) 0.026(3) Uani 1 1 d . . .
C9 C 0.0502(8) 0.4722(15) 0.7576(9) 0.030(4) Uani 1 1 d . . .
C10 C 0.0508(8) 0.3381(16) 0.7581(10) 0.039(4) Uani 1 1 d . . .
H10 H 0.0863 0.2952 0.7640 0.047 Uiso 1 1 calc R . .
C11 C 0.0000 0.269(3) 0.7500 0.053(9) Uani 1 2 d S . .
H11 H 0.0000 0.1797 0.7500 0.063 Uiso 1 2 calc SR . .
C12 C 0.3977(8) 0.4978(19) 0.3280(8) 0.035(4) Uani 1 1 d . . .
C13 C 0.4387(8) 0.4046(18) 0.3707(8) 0.031(4) Uani 1 1 d . . .
C14 C 0.4368(8) 0.376(2) 0.4323(9) 0.040(4) Uani 1 1 d . . .
H14 H 0.4078 0.4093 0.4497 0.048 Uiso 1 1 calc R . .
C15 C 0.4805(9) 0.294(2) 0.4675(9) 0.045(5) Uani 1 1 d . . .
H15 H 0.4813 0.2743 0.5096 0.054 Uiso 1 1 calc R . .
C16 C 0.5224(9) 0.243(2) 0.4405(9) 0.041(4) Uani 1 1 d . . .
H16 H 0.5505 0.1858 0.4630 0.049 Uiso 1 1 calc R . .
C17 C 0.5210(8) 0.2794(18) 0.3792(9) 0.034(4) Uani 1 1 d . . .
C18 C 0.5686(7) 0.2407(16) 0.3455(8) 0.027(3) Uani 1 1 d . . .
C19 C 0.4458(8) 0.6817(18) 0.1406(9) 0.035(4) Uani 1 1 d . . .
C20 C 0.4740(9) 0.7637(18) 0.1975(10) 0.042(5) Uani 1 1 d . . .
C21 C 0.4719(10) 0.895(2) 0.1956(11) 0.051(5) Uani 1 1 d . . .
H21 H 0.4521 0.9378 0.1587 0.061 Uiso 1 1 calc R . .
C22 C 0.5000 0.960(3) 0.2500 0.060(9) Uani 1 2 d S . .
H22 H 0.5000 1.0493 0.2500 0.072 Uiso 1 2 calc SR . .
C23 C 0.1848(9) 0.7195(19) 0.6572(9) 0.037(4) Uani 1 1 d . . .
H23 H 0.1501 0.7486 0.6650 0.044 Uiso 1 1 calc R . .
C24 C 0.1890(8) 0.7168(17) 0.5931(8) 0.031(4) Uani 1 1 d . . .
H24 H 0.1574 0.7417 0.5597 0.037 Uiso 1 1 calc R . .
C25 C 0.2411(8) 0.6763(18) 0.5811(8) 0.032(4) Uani 1 1 d . . .
C26 C 0.2863(8) 0.6373(16) 0.6357(8) 0.031(4) Uani 1 1 d . . .
H26 H 0.3223 0.6096 0.6307 0.038 Uiso 1 1 calc R . .
C27 C 0.2771(9) 0.6405(19) 0.6920(9) 0.040(5) Uani 1 1 d . . .
H27 H 0.3073 0.6109 0.7258 0.049 Uiso 1 1 calc R . .
C28 C 0.3076(9) 0.6678(18) 0.4412(8) 0.036(4) Uani 1 1 d . . .
H28 H 0.3446 0.6716 0.4337 0.044 Uiso 1 1 calc R . .
C29 C 0.3035(8) 0.6745(18) 0.5030(8) 0.034(4) Uani 1 1 d . . .
H29 H 0.3372 0.6840 0.5365 0.041 Uiso 1 1 calc R . .
C30 C 0.2486(8) 0.6669(17) 0.5156(8) 0.031(4) Uani 1 1 d . . .
C31 C 0.2007(9) 0.6528(18) 0.4639(9) 0.038(4) Uani 1 1 d . . .
H31 H 0.1631 0.6453 0.4696 0.046 Uiso 1 1 calc R . .
C32 C 0.2096(8) 0.6500(18) 0.4039(8) 0.035(4) Uani 1 1 d . . .
H32 H 0.1765 0.6431 0.3695 0.042 Uiso 1 1 calc R . .
C33 C 0.1766(8) 0.7214(16) 0.9059(8) 0.028(4) Uani 1 1 d . . .
H33 H 0.1404 0.7426 0.8785 0.034 Uiso 1 1 calc R . .
C34 C 0.1824(8) 0.7205(16) 0.9703(9) 0.032(4) Uani 1 1 d . . .
H34 H 0.1501 0.7393 0.9858 0.038 Uiso 1 1 calc R . .
C35 C 0.2341(8) 0.6927(17) 1.0116(8) 0.030(4) Uani 1 1 d . . .
C36 C 0.2813(8) 0.6677(16) 0.9877(8) 0.029(4) Uani 1 1 d . . .
H36 H 0.3181 0.6499 1.0149 0.035 Uiso 1 1 calc R . .
C37 C 0.2727(8) 0.6698(17) 0.9211(8) 0.032(4) Uani 1 1 d . . .
H37 H 0.3050 0.6542 0.9050 0.038 Uiso 1 1 calc R . .
C38 C 0.3013(7) 0.6931(17) 1.1920(8) 0.030(4) Uani 1 1 d . . .
H38 H 0.3379 0.7098 1.2197 0.036 Uiso 1 1 calc R . .
C39 C 0.2943(8) 0.7082(16) 1.1257(8) 0.029(4) Uani 1 1 d . . .
H39 H 0.3265 0.7336 1.1114 0.034 Uiso 1 1 calc R . .
C40 C 0.2421(7) 0.6868(16) 1.0820(8) 0.026(3) Uani 1 1 d . . .
C41 C 0.1960(7) 0.6537(15) 1.1078(7) 0.025(3) Uani 1 1 d . . .
H41 H 0.1591 0.6379 1.0805 0.030 Uiso 1 1 calc R . .
C42 C 0.2037(8) 0.6443(17) 1.1711(8) 0.030(4) Uani 1 1 d . . .
H42 H 0.1708 0.6286 1.1860 0.036 Uiso 1 1 calc R . .
C43 C 0.6468(8) -0.0200(17) 0.4822(9) 0.035(4) Uani 1 1 d . . .
H43 H 0.6119 -0.0303 0.4505 0.041 Uiso 1 1 calc R . .
C44 C 0.6456(9) -0.0312(17) 0.5465(9) 0.035(4) Uani 1 1 d . . .
H44 H 0.6106 -0.0494 0.5568 0.042 Uiso 1 1 calc R . .
C45 C 0.6981(9) -0.0143(19) 0.5953(9) 0.036(4) Uani 1 1 d . . .
C46 C 0.7468(8) 0.0101(18) 0.5766(9) 0.033(4) Uani 1 1 d . . .
H46 H 0.7825 0.0208 0.6070 0.039 Uiso 1 1 calc R . .
C47 C 0.7442(9) 0.0194(17) 0.5122(9) 0.034(4) Uani 1 1 d . . .
H47 H 0.7788 0.0372 0.5008 0.040 Uiso 1 1 calc R . .
C48 C 0.6497(8) -0.0987(19) 0.7444(9) 0.038(4) Uani 1 1 d . . .
H48 H 0.6193 -0.1432 0.7549 0.046 Uiso 1 1 calc R . .
C49 C 0.6508(8) -0.0934(19) 0.6813(9) 0.039(4) Uani 1 1 d . . .
H49 H 0.6212 -0.1325 0.6501 0.047 Uiso 1 1 calc R . .
C50 C 0.6957(8) -0.0304(16) 0.6641(9) 0.030(4) Uani 1 1 d . . .
C51 C 0.7387(8) 0.0245(17) 0.7112(8) 0.030(4) Uani 1 1 d . . .
H51 H 0.7693 0.0691 0.7013 0.036 Uiso 1 1 calc R . .
C52 C 0.7360(8) 0.0125(18) 0.7751(8) 0.030(4) Uani 1 1 d . . .
H52 H 0.7670 0.0439 0.8075 0.036 Uiso 1 1 calc R . .
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'
O O 0.0106 0.0060 '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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Er Er -0.2586 4.9576 '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 Er1 O1 92.7(6) . 2_556 ?
O1 Er1 O5 76.5(4) . . ?
O1 Er1 O5 145.6(4) 2_556 . ?
O1 Er1 O5 145.6(4) . 2_556 ?
O1 Er1 O5 76.5(4) 2_556 2_556 ?
O5 Er1 O5 129.3(6) . 2_556 ?
O1 Er1 O3 129.7(4) . . ?
O1 Er1 O3 75.9(4) 2_556 . ?
O5 Er1 O3 86.1(4) . . ?
O5 Er1 O3 79.8(4) 2_556 . ?
O1 Er1 O3 75.9(4) . 2_556 ?
O1 Er1 O3 129.7(4) 2_556 2_556 ?
O5 Er1 O3 79.8(4) . 2_556 ?
O5 Er1 O3 86.1(4) 2_556 2_556 ?
O3 Er1 O3 146.8(6) . 2_556 ?
O1 Er1 N2 133.6(3) . . ?
O1 Er1 N2 133.6(3) 2_556 . ?
O5 Er1 N2 64.7(3) . . ?
O5 Er1 N2 64.7(3) 2_556 . ?
O3 Er1 N2 73.4(3) . . ?
O3 Er1 N2 73.4(3) 2_556 . ?
O1 Er1 N1 64.6(4) . . ?
O1 Er1 N1 72.1(5) 2_556 . ?
O5 Er1 N1 73.8(4) . . ?
O5 Er1 N1 137.4(4) 2_556 . ?
O3 Er1 N1 65.2(4) . . ?
O3 Er1 N1 136.3(5) 2_556 . ?
N2 Er1 N1 122.2(3) . . ?
O1 Er1 N1 72.1(5) . 2_556 ?
O1 Er1 N1 64.6(4) 2_556 2_556 ?
O5 Er1 N1 137.4(4) . 2_556 ?
O5 Er1 N1 73.8(4) 2_556 2_556 ?
O3 Er1 N1 136.3(5) . 2_556 ?
O3 Er1 N1 65.2(4) 2_556 2_556 ?
N2 Er1 N1 122.2(3) . 2_556 ?
N1 Er1 N1 115.6(7) . 2_556 ?
O11 Er2 O11 130.7(7) . 2_655 ?
O11 Er2 O9 79.6(4) . 2_655 ?
O11 Er2 O9 143.7(4) 2_655 2_655 ?
O11 Er2 O9 143.7(4) . . ?
O11 Er2 O9 79.6(4) 2_655 . ?
O9 Er2 O9 82.5(6) 2_655 . ?
O11 Er2 O7 87.3(5) . 2_655 ?
O11 Er2 O7 78.7(4) 2_655 2_655 ?
O9 Er2 O7 128.4(4) 2_655 2_655 ?
O9 Er2 O7 79.5(4) . 2_655 ?
O11 Er2 O7 78.7(4) . . ?
O11 Er2 O7 87.3(5) 2_655 . ?
O9 Er2 O7 79.5(4) 2_655 . ?
O9 Er2 O7 128.4(4) . . ?
O7 Er2 O7 146.0(6) 2_655 . ?
O11 Er2 N4 65.4(3) . . ?
O11 Er2 N4 65.4(3) 2_655 . ?
O9 Er2 N4 138.7(3) 2_655 . ?
O9 Er2 N4 138.7(3) . . ?
O7 Er2 N4 73.0(3) 2_655 . ?
O7 Er2 N4 73.0(3) . . ?
O11 Er2 N3 67.1(5) . 2_655 ?
O11 Er2 N3 139.1(5) 2_655 2_655 ?
O9 Er2 N3 64.4(4) 2_655 2_655 ?
O9 Er2 N3 76.8(4) . 2_655 ?
O7 Er2 N3 64.5(4) 2_655 2_655 ?
O7 Er2 N3 133.4(4) . 2_655 ?
N4 Er2 N3 116.1(3) . 2_655 ?
O11 Er2 N3 139.1(5) . . ?
O11 Er2 N3 67.1(5) 2_655 . ?
O9 Er2 N3 76.8(4) 2_655 . ?
O9 Er2 N3 64.4(4) . . ?
O7 Er2 N3 133.4(4) 2_655 . ?
O7 Er2 N3 64.5(4) . . ?
N4 Er2 N3 116.1(3) . . ?
N3 Er2 N3 127.9(7) 2_655 . ?
N7 Cu1 N5 160.2(6) . . ?
N7 Cu1 O6 98.3(5) . . ?
N5 Cu1 O6 101.0(6) . . ?
N8 Cu2 N6 160.9(6) 1_554 . ?
N8 Cu2 O8 107.7(6) 1_554 . ?
N6 Cu2 O8 91.2(6) . . ?
N10 Cu3 N9 162.8(6) 4 . ?
N10 Cu3 O10 103.2(6) 4 . ?
N9 Cu3 O10 91.9(6) . . ?
C2 N1 C6 118.8(16) . . ?
C2 N1 Er1 121.1(12) . . ?
C6 N1 Er1 119.7(12) . . ?
C9 N2 C9 119(2) 2_556 . ?
C9 N2 Er1 120.5(10) 2_556 . ?
C9 N2 Er1 120.5(10) . . ?
C17 N3 C13 121.2(15) . . ?
C17 N3 Er2 118.7(11) . . ?
C13 N3 Er2 119.2(11) . . ?
C20 N4 C20 121(2) . 2_655 ?
C20 N4 Er2 119.4(12) . . ?
C20 N4 Er2 119.4(12) 2_655 . ?
C23 N5 C27 115.4(15) . . ?
C23 N5 Cu1 119.4(13) . . ?
C27 N5 Cu1 124.6(13) . . ?
C32 N6 C28 116.2(15) . . ?
C32 N6 Cu2 123.2(12) . . ?
C28 N6 Cu2 120.4(12) . . ?
C37 N7 C33 116.2(14) . . ?
C37 N7 Cu1 119.9(11) . . ?
C33 N7 Cu1 123.6(12) . . ?
C38 N8 C42 113.7(14) . . ?
C38 N8 Cu2 121.7(12) . 1_556 ?
C42 N8 Cu2 124.4(12) . 1_556 ?
C43 N9 C47 116.9(15) . . ?
C43 N9 Cu3 117.1(12) . . ?
C47 N9 Cu3 124.8(12) . . ?
C48 N10 C52 116.8(15) . . ?
C48 N10 Cu3 121.9(12) . 4_556 ?
C52 N10 Cu3 121.2(12) . 4_556 ?
C1 O1 Er1 126.4(11) . . ?
C7 O3 Er1 122.4(13) . . ?
C8 O5 Er1 124.5(10) . . ?
C8 O6 Cu1 102.8(10) . . ?
C12 O7 Er2 125.1(11) . . ?
C12 O8 Cu2 139.4(13) . . ?
C18 O9 Er2 126.6(11) . . ?
C18 O10 Cu3 148.1(12) . . ?
C19 O11 Er2 124.2(12) . . ?
H13C O13 H13D 108.1 . . ?
H14C O14 H14D 108.2 . . ?
H15C O15 H15D 108.3 . . ?
H16C O16 H16D 107.9 . . ?
O2 C1 O1 128.0(17) . . ?
O2 C1 C2 118.9(16) . . ?
O1 C1 C2 113.1(15) . . ?
N1 C2 C3 123.2(18) . . ?
N1 C2 C1 114.5(15) . . ?
C3 C2 C1 122.2(17) . . ?
C4 C3 C2 118(2) . . ?
C4 C3 H3 121.0 . . ?
C2 C3 H3 121.0 . . ?
C3 C4 C5 121(2) . . ?
C3 C4 H4 119.7 . . ?
C5 C4 H4 119.7 . . ?
C4 C5 C6 118(2) . . ?
C4 C5 H5 121.0 . . ?
C6 C5 H5 121.0 . . ?
N1 C6 C5 121.4(18) . . ?
N1 C6 C7 112.1(16) . . ?
C5 C6 C7 126.5(18) . . ?
O3 C7 O4 124.1(19) . . ?
O3 C7 C6 119.2(18) . . ?
O4 C7 C6 116.1(18) . . ?
O5 C8 O6 125.6(15) . . ?
O5 C8 C9 115.8(14) . . ?
O6 C8 C9 118.5(14) . . ?
N2 C9 C10 121.1(17) . . ?
N2 C9 C8 114.0(14) . . ?
C10 C9 C8 125.0(16) . . ?
C11 C10 C9 121.4(19) . . ?
C11 C10 H10 119.3 . . ?
C9 C10 H10 119.3 . . ?
C10 C11 C10 116(2) . 2_556 ?
C10 C11 H11 121.9 . . ?
C10 C11 H11 121.9 2_556 . ?
O8 C12 O7 127.6(18) . . ?
O8 C12 C13 116.5(16) . . ?
O7 C12 C13 115.7(14) . . ?
N3 C13 C14 121.2(16) . . ?
N3 C13 C12 114.6(14) . . ?
C14 C13 C12 123.8(16) . . ?
C13 C14 C15 116.9(17) . . ?
C13 C14 H14 121.5 . . ?
C15 C14 H14 121.5 . . ?
C16 C15 C14 120.9(18) . . ?
C16 C15 H15 119.5 . . ?
C14 C15 H15 119.5 . . ?
C17 C16 C15 117.5(19) . . ?
C17 C16 H16 121.2 . . ?
C15 C16 H16 121.2 . . ?
N3 C17 C16 121.9(17) . . ?
N3 C17 C18 114.5(15) . . ?
C16 C17 C18 123.2(17) . . ?
O10 C18 O9 129.7(16) . . ?
O10 C18 C17 115.9(15) . . ?
O9 C18 C17 114.4(14) . . ?
O12 C19 O11 126.2(19) . . ?
O12 C19 C20 119.4(17) . . ?
O11 C19 C20 114.3(15) . . ?
N4 C20 C21 121(2) . . ?
N4 C20 C19 116.0(17) . . ?
C21 C20 C19 122.6(18) . . ?
C20 C21 C22 118(2) . . ?
C20 C21 H21 121.1 . . ?
C22 C21 H21 121.1 . . ?
C21 C22 C21 120(3) . 2_655 ?
C21 C22 H22 119.9 . . ?
C21 C22 H22 119.9 2_655 . ?
N5 C23 C24 123.2(18) . . ?
N5 C23 H23 118.4 . . ?
C24 C23 H23 118.4 . . ?
C25 C24 C23 118.9(17) . . ?
C25 C24 H24 120.6 . . ?
C23 C24 H24 120.6 . . ?
C24 C25 C26 115.9(16) . . ?
C24 C25 C30 122.3(16) . . ?
C26 C25 C30 121.7(16) . . ?
C27 C26 C25 120.0(17) . . ?
C27 C26 H26 120.0 . . ?
C25 C26 H26 120.0 . . ?
C26 C27 N5 126.6(17) . . ?
C26 C27 H27 116.7 . . ?
N5 C27 H27 116.7 . . ?
N6 C28 C29 122.6(17) . . ?
N6 C28 H28 118.7 . . ?
C29 C28 H28 118.7 . . ?
C28 C29 C30 119.7(17) . . ?
C28 C29 H29 120.2 . . ?
C30 C29 H29 120.2 . . ?
C31 C30 C29 117.2(16) . . ?
C31 C30 C25 120.6(17) . . ?
C29 C30 C25 122.2(16) . . ?
C32 C31 C30 118.5(18) . . ?
C32 C31 H31 120.8 . . ?
C30 C31 H31 120.8 . . ?
N6 C32 C31 125.8(17) . . ?
N6 C32 H32 117.1 . . ?
C31 C32 H32 117.1 . . ?
C34 C33 N7 122.2(17) . . ?
C34 C33 H33 118.9 . . ?
N7 C33 H33 118.9 . . ?
C35 C34 C33 120.8(17) . . ?
C35 C34 H34 119.6 . . ?
C33 C34 H34 119.6 . . ?
C34 C35 C36 118.5(16) . . ?
C34 C35 C40 122.7(16) . . ?
C36 C35 C40 118.8(16) . . ?
C35 C36 C37 118.2(16) . . ?
C35 C36 H36 120.9 . . ?
C37 C36 H36 120.9 . . ?
N7 C37 C36 124.0(15) . . ?
N7 C37 H37 118.0 . . ?
C36 C37 H37 118.0 . . ?
N8 C38 C39 123.1(16) . . ?
N8 C38 H38 118.5 . . ?
C39 C38 H38 118.5 . . ?
C40 C39 C38 122.1(16) . . ?
C40 C39 H39 118.9 . . ?
C38 C39 H39 118.9 . . ?
C39 C40 C41 115.1(15) . . ?
C39 C40 C35 123.6(15) . . ?
C41 C40 C35 121.2(15) . . ?
C42 C41 C40 121.2(16) . . ?
C42 C41 H41 119.4 . . ?
C40 C41 H41 119.4 . . ?
C41 C42 N8 124.4(16) . . ?
C41 C42 H42 117.8 . . ?
N8 C42 H42 117.8 . . ?
N9 C43 C44 122.8(17) . . ?
N9 C43 H43 118.6 . . ?
C44 C43 H43 118.6 . . ?
C43 C44 C45 119.2(17) . . ?
C43 C44 H44 120.4 . . ?
C45 C44 H44 120.4 . . ?
C46 C45 C44 116.9(18) . . ?
C46 C45 C50 125.1(18) . . ?
C44 C45 C50 117.9(17) . . ?
C45 C46 C47 120.2(18) . . ?
C45 C46 H46 119.9 . . ?
C47 C46 H46 119.9 . . ?
N9 C47 C46 123.9(17) . . ?
N9 C47 H47 118.1 . . ?
C46 C47 H47 118.1 . . ?
N10 C48 C49 122.8(17) . . ?
N10 C48 H48 118.6 . . ?
C49 C48 H48 118.6 . . ?
C48 C49 C50 120.3(18) . . ?
C48 C49 H49 119.8 . . ?
C50 C49 H49 119.8 . . ?
C51 C50 C49 118.2(17) . . ?
C51 C50 C45 118.4(16) . . ?
C49 C50 C45 123.3(17) . . ?
C50 C51 C52 118.7(16) . . ?
C50 C51 H51 120.6 . . ?
C52 C51 H51 120.6 . . ?
N10 C52 C51 122.9(16) . . ?
N10 C52 H52 118.6 . . ?
C51 C52 H52 118.6 . . ?
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
Er1 O1 2.376(13) . ?
Er1 O1 2.376(13) 2_556 ?
Er1 O5 2.395(12) . ?
Er1 O5 2.395(12) 2_556 ?
Er1 O3 2.409(12) . ?
Er1 O3 2.409(12) 2_556 ?
Er1 N2 2.445(19) . ?
Er1 N1 2.468(14) . ?
Er1 N1 2.468(14) 2_556 ?
Er2 O11 2.370(12) . ?
Er2 O11 2.370(12) 2_655 ?
Er2 O9 2.377(12) 2_655 ?
Er2 O9 2.377(12) . ?
Er2 O7 2.403(12) 2_655 ?
Er2 O7 2.403(12) . ?
Er2 N4 2.46(2) . ?
Er2 N3 2.504(14) 2_655 ?
Er2 N3 2.504(14) . ?
Cu1 N7 1.924(14) . ?
Cu1 N5 1.929(14) . ?
Cu1 O6 2.218(12) . ?
Cu2 N8 1.880(13) 1_554 ?
Cu2 N6 1.928(14) . ?
Cu2 O8 2.236(13) . ?
Cu3 N10 1.895(15) 4 ?
Cu3 N9 1.900(14) . ?
Cu3 O10 2.250(12) . ?
N1 C2 1.30(2) . ?
N1 C6 1.35(2) . ?
N2 C9 1.34(2) 2_556 ?
N2 C9 1.34(2) . ?
N3 C17 1.31(2) . ?
N3 C13 1.34(2) . ?
N4 C20 1.31(2) . ?
N4 C20 1.31(2) 2_655 ?
N5 C23 1.33(2) . ?
N5 C27 1.35(3) . ?
N6 C32 1.30(2) . ?
N6 C28 1.35(2) . ?
N7 C37 1.30(2) . ?
N7 C33 1.37(2) . ?
N8 C38 1.32(2) . ?
N8 C42 1.41(2) . ?
N8 Cu2 1.880(13) 1_556 ?
N9 C43 1.30(2) . ?
N9 C47 1.34(2) . ?
N10 C48 1.34(2) . ?
N10 C52 1.35(2) . ?
N10 Cu3 1.895(15) 4_556 ?
O1 C1 1.27(2) . ?
O2 C1 1.21(2) . ?
O3 C7 1.22(2) . ?
O4 C7 1.30(2) . ?
O5 C8 1.253(19) . ?
O6 C8 1.26(2) . ?
O7 C12 1.27(2) . ?
O8 C12 1.23(2) . ?
O9 C18 1.24(2) . ?
O10 C18 1.23(2) . ?
O11 C19 1.29(2) . ?
O12 C19 1.23(2) . ?
O13 H13C 0.8455 . ?
O13 H13D 0.8473 . ?
O14 H14C 0.8455 . ?
O14 H14D 0.8461 . ?
O15 H15C 0.8472 . ?
O15 H15D 0.8455 . ?
O16 H16C 0.8470 . ?
O16 H16D 0.8454 . ?
C1 C2 1.55(2) . ?
C2 C3 1.39(3) . ?
C3 C4 1.36(3) . ?
C3 H3 0.9300 . ?
C4 C5 1.36(3) . ?
C4 H4 0.9300 . ?
C5 C6 1.39(3) . ?
C5 H5 0.9300 . ?
C6 C7 1.52(3) . ?
C8 C9 1.49(2) . ?
C9 C10 1.40(2) . ?
C10 C11 1.37(2) . ?
C10 H10 0.9300 . ?
C11 C10 1.37(2) 2_556 ?
C11 H11 0.9300 . ?
C12 C13 1.51(3) . ?
C13 C14 1.38(2) . ?
C14 C15 1.40(3) . ?
C14 H14 0.9300 . ?
C15 C16 1.38(3) . ?
C15 H15 0.9300 . ?
C16 C17 1.37(3) . ?
C16 H16 0.9300 . ?
C17 C18 1.55(2) . ?
C19 C20 1.50(3) . ?
C20 C21 1.37(3) . ?
C21 C22 1.37(3) . ?
C21 H21 0.9300 . ?
C22 C21 1.37(3) 2_655 ?
C22 H22 0.9300 . ?
C23 C24 1.42(3) . ?
C23 H23 0.9300 . ?
C24 C25 1.39(3) . ?
C24 H24 0.9300 . ?
C25 C26 1.43(2) . ?
C25 C30 1.48(2) . ?
C26 C27 1.29(3) . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
C28 C29 1.37(2) . ?
C28 H28 0.9300 . ?
C29 C30 1.39(2) . ?
C29 H29 0.9300 . ?
C30 C31 1.37(3) . ?
C31 C32 1.37(3) . ?
C31 H31 0.9300 . ?
C32 H32 0.9300 . ?
C33 C34 1.37(2) . ?
C33 H33 0.9300 . ?
C34 C35 1.34(3) . ?
C34 H34 0.9300 . ?
C35 C36 1.37(2) . ?
C35 C40 1.49(2) . ?
C36 C37 1.40(2) . ?
C36 H36 0.9300 . ?
C37 H37 0.9300 . ?
C38 C39 1.41(2) . ?
C38 H38 0.9300 . ?
C39 C40 1.36(2) . ?
C39 H39 0.9300 . ?
C40 C41 1.39(2) . ?
C41 C42 1.34(2) . ?
C41 H41 0.9300 . ?
C42 H42 0.9300 . ?
C43 C44 1.40(2) . ?
C43 H43 0.9300 . ?
C44 C45 1.41(3) . ?
C44 H44 0.9300 . ?
C45 C46 1.34(3) . ?
C45 C50 1.51(3) . ?
C46 C47 1.38(3) . ?
C46 H46 0.9300 . ?
C47 H47 0.9300 . ?
C48 C49 1.37(3) . ?
C48 H48 0.9300 . ?
C49 C50 1.38(3) . ?
C49 H49 0.9300 . ?
C50 C51 1.36(3) . ?
C51 C52 1.41(2) . ?
C51 H51 0.9300 . ?
C52 H52 0.9300 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 Er1 N1 C2 -3.8(13) . . . . ?
O1 Er1 N1 C2 98.2(14) 2_556 . . . ?
O5 Er1 N1 C2 -86.3(14) . . . . ?
O5 Er1 N1 C2 142.6(12) 2_556 . . . ?
O3 Er1 N1 C2 -179.5(15) . . . . ?
O3 Er1 N1 C2 -31.2(17) 2_556 . . . ?
N2 Er1 N1 C2 -131.0(13) . . . . ?
N1 Er1 N1 C2 49.0(13) 2_556 . . . ?
O1 Er1 N1 C6 -176.6(15) . . . . ?
O1 Er1 N1 C6 -74.6(13) 2_556 . . . ?
O5 Er1 N1 C6 101.0(14) . . . . ?
O5 Er1 N1 C6 -30.2(16) 2_556 . . . ?
O3 Er1 N1 C6 7.7(13) . . . . ?
O3 Er1 N1 C6 156.1(12) 2_556 . . . ?
N2 Er1 N1 C6 56.2(14) . . . . ?
N1 Er1 N1 C6 -123.8(14) 2_556 . . . ?
O1 Er1 N2 C9 147.2(10) . . . 2_556 ?
O1 Er1 N2 C9 -32.8(10) 2_556 . . 2_556 ?
O5 Er1 N2 C9 -176.9(9) . . . 2_556 ?
O5 Er1 N2 C9 3.1(9) 2_556 . . 2_556 ?
O3 Er1 N2 C9 -83.3(9) . . . 2_556 ?
O3 Er1 N2 C9 96.7(9) 2_556 . . 2_556 ?
N1 Er1 N2 C9 -128.5(10) . . . 2_556 ?
N1 Er1 N2 C9 51.5(10) 2_556 . . 2_556 ?
O1 Er1 N2 C9 -32.8(10) . . . . ?
O1 Er1 N2 C9 147.2(10) 2_556 . . . ?
O5 Er1 N2 C9 3.1(9) . . . . ?
O5 Er1 N2 C9 -176.9(9) 2_556 . . . ?
O3 Er1 N2 C9 96.7(9) . . . . ?
O3 Er1 N2 C9 -83.3(9) 2_556 . . . ?
N1 Er1 N2 C9 51.5(10) . . . . ?
N1 Er1 N2 C9 -128.5(10) 2_556 . . . ?
O11 Er2 N3 C17 154.5(12) . . . . ?
O11 Er2 N3 C17 -79.1(13) 2_655 . . . ?
O9 Er2 N3 C17 98.0(13) 2_655 . . . ?
O9 Er2 N3 C17 10.1(12) . . . . ?
O7 Er2 N3 C17 -33.0(15) 2_655 . . . ?
O7 Er2 N3 C17 -177.4(14) . . . . ?
N4 Er2 N3 C17 -123.8(12) . . . . ?
N3 Er2 N3 C17 56.2(12) 2_655 . . . ?
O11 Er2 N3 C13 -36.6(16) . . . . ?
O11 Er2 N3 C13 89.9(13) 2_655 . . . ?
O9 Er2 N3 C13 -93.0(13) 2_655 . . . ?
O9 Er2 N3 C13 179.1(14) . . . . ?
O7 Er2 N3 C13 135.9(12) 2_655 . . . ?
O7 Er2 N3 C13 -8.4(12) . . . . ?
N4 Er2 N3 C13 45.1(14) . . . . ?
N3 Er2 N3 C13 -134.9(14) 2_655 . . . ?
O11 Er2 N4 C20 -3.7(11) . . . . ?
O11 Er2 N4 C20 176.3(11) 2_655 . . . ?
O9 Er2 N4 C20 -38.4(12) 2_655 . . . ?
O9 Er2 N4 C20 141.6(12) . . . . ?
O7 Er2 N4 C20 91.2(11) 2_655 . . . ?
O7 Er2 N4 C20 -88.8(11) . . . . ?
N3 Er2 N4 C20 41.8(11) 2_655 . . . ?
N3 Er2 N4 C20 -138.2(11) . . . . ?
O11 Er2 N4 C20 176.3(11) . . . 2_655 ?
O11 Er2 N4 C20 -3.7(11) 2_655 . . 2_655 ?
O9 Er2 N4 C20 141.6(12) 2_655 . . 2_655 ?
O9 Er2 N4 C20 -38.4(12) . . . 2_655 ?
O7 Er2 N4 C20 -88.8(11) 2_655 . . 2_655 ?
O7 Er2 N4 C20 91.2(11) . . . 2_655 ?
N3 Er2 N4 C20 -138.2(11) 2_655 . . 2_655 ?
N3 Er2 N4 C20 41.8(11) . . . 2_655 ?
N7 Cu1 N5 C23 -126(2) . . . . ?
O6 Cu1 N5 C23 68.2(15) . . . . ?
N7 Cu1 N5 C27 64(3) . . . . ?
O6 Cu1 N5 C27 -101.8(15) . . . . ?
N8 Cu2 N6 C32 49(3) 1_554 . . . ?
O8 Cu2 N6 C32 -140.4(15) . . . . ?
N8 Cu2 N6 C28 -136(2) 1_554 . . . ?
O8 Cu2 N6 C28 34.6(14) . . . . ?
N5 Cu1 N7 C37 -54(3) . . . . ?
O6 Cu1 N7 C37 112.6(13) . . . . ?
N5 Cu1 N7 C33 132.4(19) . . . . ?
O6 Cu1 N7 C33 -61.4(14) . . . . ?
N10 Cu3 N9 C43 -115(2) 4 . . . ?
O10 Cu3 N9 C43 37.2(14) . . . . ?
N10 Cu3 N9 C47 77(3) 4 . . . ?
O10 Cu3 N9 C47 -130.2(15) . . . . ?
O1 Er1 O1 C1 -67.7(13) 2_556 . . . ?
O5 Er1 O1 C1 79.2(13) . . . . ?
O5 Er1 O1 C1 -137.5(12) 2_556 . . . ?
O3 Er1 O1 C1 6.1(16) . . . . ?
O3 Er1 O1 C1 161.9(14) 2_556 . . . ?
N2 Er1 O1 C1 112.3(13) . . . . ?
N1 Er1 O1 C1 1.0(12) . . . . ?
N1 Er1 O1 C1 -129.9(14) 2_556 . . . ?
O1 Er1 O3 C7 -15.8(17) . . . . ?
O1 Er1 O3 C7 65.9(15) 2_556 . . . ?
O5 Er1 O3 C7 -84.6(15) . . . . ?
O5 Er1 O3 C7 144.3(15) 2_556 . . . ?
O3 Er1 O3 C7 -149.3(15) 2_556 . . . ?
N2 Er1 O3 C7 -149.3(15) . . . . ?
N1 Er1 O3 C7 -10.7(15) . . . . ?
N1 Er1 O3 C7 91.2(16) 2_556 . . . ?
O1 Er1 O5 C8 147.5(13) . . . . ?
O1 Er1 O5 C8 -137.9(12) 2_556 . . . ?
O5 Er1 O5 C8 -6.6(12) 2_556 . . . ?
O3 Er1 O5 C8 -80.1(13) . . . . ?
O3 Er1 O5 C8 69.7(13) 2_556 . . . ?
N2 Er1 O5 C8 -6.6(12) . . . . ?
N1 Er1 O5 C8 -145.4(14) . . . . ?
N1 Er1 O5 C8 104.3(14) 2_556 . . . ?
N7 Cu1 O6 C8 85.7(11) . . . . ?
N5 Cu1 O6 C8 -99.0(11) . . . . ?
O11 Er2 O7 C12 166.2(15) . . . . ?
O11 Er2 O7 C12 -61.3(15) 2_655 . . . ?
O9 Er2 O7 C12 84.8(15) 2_655 . . . ?
O9 Er2 O7 C12 13.2(17) . . . . ?
O7 Er2 O7 C12 -126.4(15) 2_655 . . . ?
N4 Er2 O7 C12 -126.4(15) . . . . ?
N3 Er2 O7 C12 123.6(14) 2_655 . . . ?
N3 Er2 O7 C12 4.6(14) . . . . ?
N8 Cu2 O8 C12 24(2) 1_554 . . . ?
N6 Cu2 O8 C12 -152(2) . . . . ?
O11 Er2 O9 C18 -149.5(13) . . . . ?
O11 Er2 O9 C18 59.7(14) 2_655 . . . ?
O9 Er2 O9 C18 -88.6(14) 2_655 . . . ?
O7 Er2 O9 C18 139.9(15) 2_655 . . . ?
O7 Er2 O9 C18 -18.4(16) . . . . ?
N4 Er2 O9 C18 91.4(14) . . . . ?
N3 Er2 O9 C18 -154.0(15) 2_655 . . . ?
N3 Er2 O9 C18 -9.8(13) . . . . ?
N10 Cu3 O10 C18 -30(2) 4 . . . ?
N9 Cu3 O10 C18 158(2) . . . . ?
O11 Er2 O11 C19 8.3(13) 2_655 . . . ?
O9 Er2 O11 C19 165.9(15) 2_655 . . . ?
O9 Er2 O11 C19 -132.4(13) . . . . ?
O7 Er2 O11 C19 -64.2(14) 2_655 . . . ?
O7 Er2 O11 C19 84.6(14) . . . . ?
N4 Er2 O11 C19 8.3(13) . . . . ?
N3 Er2 O11 C19 -127.7(15) 2_655 . . . ?
N3 Er2 O11 C19 110.3(14) . . . . ?
Er1 O1 C1 O2 -178.8(13) . . . . ?
Er1 O1 C1 C2 1(2) . . . . ?
C6 N1 C2 C3 0(3) . . . . ?
Er1 N1 C2 C3 -172.6(14) . . . . ?
C6 N1 C2 C1 178.6(15) . . . . ?
Er1 N1 C2 C1 6(2) . . . . ?
O2 C1 C2 N1 175.5(16) . . . . ?
O1 C1 C2 N1 -5(2) . . . . ?
O2 C1 C2 C3 -6(3) . . . . ?
O1 C1 C2 C3 173.8(17) . . . . ?
N1 C2 C3 C4 -2(3) . . . . ?
C1 C2 C3 C4 179.5(17) . . . . ?
C2 C3 C4 C5 1(3) . . . . ?
C3 C4 C5 C6 1(3) . . . . ?
C2 N1 C6 C5 3(3) . . . . ?
Er1 N1 C6 C5 175.6(14) . . . . ?
C2 N1 C6 C7 -178.1(16) . . . . ?
Er1 N1 C6 C7 -5(2) . . . . ?
C4 C5 C6 N1 -3(3) . . . . ?
C4 C5 C6 C7 177.4(19) . . . . ?
Er1 O3 C7 O4 -177.3(17) . . . . ?
Er1 O3 C7 C6 12(2) . . . . ?
N1 C6 C7 O3 -4(3) . . . . ?
C5 C6 C7 O3 174.8(19) . . . . ?
N1 C6 C7 O4 -175.4(19) . . . . ?
C5 C6 C7 O4 4(3) . . . . ?
Er1 O5 C8 O6 -174.1(12) . . . . ?
Er1 O5 C8 C9 9(2) . . . . ?
Cu1 O6 C8 O5 7(2) . . . . ?
Cu1 O6 C8 C9 -175.7(12) . . . . ?
C9 N2 C9 C10 -0.4(13) 2_556 . . . ?
Er1 N2 C9 C10 179.6(13) . . . . ?
C9 N2 C9 C8 179.7(17) 2_556 . . . ?
Er1 N2 C9 C8 -0.3(17) . . . . ?
O5 C8 C9 N2 -5(2) . . . . ?
O6 C8 C9 N2 177.5(13) . . . . ?
O5 C8 C9 C10 174.9(18) . . . . ?
O6 C8 C9 C10 -2(3) . . . . ?
N2 C9 C10 C11 1(3) . . . . ?
C8 C9 C10 C11 -179.3(15) . . . . ?
C9 C10 C11 C10 -0.4(13) . . . 2_556 ?
Cu2 O8 C12 O7 -3(4) . . . . ?
Cu2 O8 C12 C13 -176.8(14) . . . . ?
Er2 O7 C12 O8 -174.4(16) . . . . ?
Er2 O7 C12 C13 -1(2) . . . . ?
C17 N3 C13 C14 7(3) . . . . ?
Er2 N3 C13 C14 -161.8(15) . . . . ?
C17 N3 C13 C12 179.9(16) . . . . ?
Er2 N3 C13 C12 11(2) . . . . ?
O8 C12 C13 N3 167.3(17) . . . . ?
O7 C12 C13 N3 -7(2) . . . . ?
O8 C12 C13 C14 -20(3) . . . . ?
O7 C12 C13 C14 165.8(18) . . . . ?
N3 C13 C14 C15 -3(3) . . . . ?
C12 C13 C14 C15 -175.6(18) . . . . ?
C13 C14 C15 C16 -2(3) . . . . ?
C14 C15 C16 C17 3(3) . . . . ?
C13 N3 C17 C16 -6(3) . . . . ?
Er2 N3 C17 C16 163.2(15) . . . . ?
C13 N3 C17 C18 -179.1(16) . . . . ?
Er2 N3 C17 C18 -10(2) . . . . ?
C15 C16 C17 N3 1(3) . . . . ?
C15 C16 C17 C18 173.7(18) . . . . ?
Cu3 O10 C18 O9 12(4) . . . . ?
Cu3 O10 C18 C17 -171.2(16) . . . . ?
Er2 O9 C18 O10 -174.9(14) . . . . ?
Er2 O9 C18 C17 8(2) . . . . ?
N3 C17 C18 O10 -175.2(16) . . . . ?
C16 C17 C18 O10 11(3) . . . . ?
N3 C17 C18 O9 2(2) . . . . ?
C16 C17 C18 O9 -171.1(18) . . . . ?
Er2 O11 C19 O12 172.5(14) . . . . ?
Er2 O11 C19 C20 -11(2) . . . . ?
C20 N4 C20 C21 -1.3(16) 2_655 . . . ?
Er2 N4 C20 C21 178.7(16) . . . . ?
C20 N4 C20 C19 -180(2) 2_655 . . . ?
Er2 N4 C20 C19 0(2) . . . . ?
O12 C19 C20 N4 -176.6(16) . . . . ?
O11 C19 C20 N4 7(2) . . . . ?
O12 C19 C20 C21 5(3) . . . . ?
O11 C19 C20 C21 -172(2) . . . . ?
N4 C20 C21 C22 3(3) . . . . ?
C19 C20 C21 C22 -178.9(17) . . . . ?
C20 C21 C22 C21 -1.2(15) . . . 2_655 ?
C27 N5 C23 C24 -1(3) . . . . ?
Cu1 N5 C23 C24 -171.4(14) . . . . ?
N5 C23 C24 C25 -1(3) . . . . ?
C23 C24 C25 C26 2(3) . . . . ?
C23 C24 C25 C30 178.1(17) . . . . ?
C24 C25 C26 C27 0(3) . . . . ?
C30 C25 C26 C27 -176.3(18) . . . . ?
C25 C26 C27 N5 -3(3) . . . . ?
C23 N5 C27 C26 3(3) . . . . ?
Cu1 N5 C27 C26 173.0(16) . . . . ?
C32 N6 C28 C29 -1(3) . . . . ?
Cu2 N6 C28 C29 -176.0(14) . . . . ?
N6 C28 C29 C30 1(3) . . . . ?
C28 C29 C30 C31 0(3) . . . . ?
C28 C29 C30 C25 -178.6(17) . . . . ?
C24 C25 C30 C31 -23(3) . . . . ?
C26 C25 C30 C31 152.9(18) . . . . ?
C24 C25 C30 C29 155.2(19) . . . . ?
C26 C25 C30 C29 -28(3) . . . . ?
C29 C30 C31 C32 -1(3) . . . . ?
C25 C30 C31 C32 177.3(17) . . . . ?
C28 N6 C32 C31 -1(3) . . . . ?
Cu2 N6 C32 C31 174.3(15) . . . . ?
C30 C31 C32 N6 2(3) . . . . ?
C37 N7 C33 C34 -3(2) . . . . ?
Cu1 N7 C33 C34 170.7(13) . . . . ?
N7 C33 C34 C35 1(3) . . . . ?
C33 C34 C35 C36 1(3) . . . . ?
C33 C34 C35 C40 -178.2(16) . . . . ?
C34 C35 C36 C37 -1(3) . . . . ?
C40 C35 C36 C37 178.1(16) . . . . ?
C33 N7 C37 C36 3(3) . . . . ?
Cu1 N7 C37 C36 -171.0(13) . . . . ?
C35 C36 C37 N7 -1(3) . . . . ?
C42 N8 C38 C39 -5(2) . . . . ?
Cu2 N8 C38 C39 179.4(13) 1_556 . . . ?
N8 C38 C39 C40 1(3) . . . . ?
C38 C39 C40 C41 2(2) . . . . ?
C38 C39 C40 C35 -175.5(17) . . . . ?
C34 C35 C40 C39 -153.7(18) . . . . ?
C36 C35 C40 C39 27(3) . . . . ?
C34 C35 C40 C41 29(3) . . . . ?
C36 C35 C40 C41 -150.7(17) . . . . ?
C39 C40 C41 C42 0(2) . . . . ?
C35 C40 C41 C42 177.7(17) . . . . ?
C40 C41 C42 N8 -5(3) . . . . ?
C38 N8 C42 C41 7(2) . . . . ?
Cu2 N8 C42 C41 -177.2(14) 1_556 . . . ?
C47 N9 C43 C44 0(3) . . . . ?
Cu3 N9 C43 C44 -168.9(14) . . . . ?
N9 C43 C44 C45 1(3) . . . . ?
C43 C44 C45 C46 -1(3) . . . . ?
C43 C44 C45 C50 -178.4(16) . . . . ?
C44 C45 C46 C47 1(3) . . . . ?
C50 C45 C46 C47 178.1(18) . . . . ?
C43 N9 C47 C46 0(3) . . . . ?
Cu3 N9 C47 C46 167.8(15) . . . . ?
C45 C46 C47 N9 -1(3) . . . . ?
C52 N10 C48 C49 -5(3) . . . . ?
Cu3 N10 C48 C49 177.9(15) 4_556 . . . ?
N10 C48 C49 C50 1(3) . . . . ?
C48 C49 C50 C51 1(3) . . . . ?
C48 C49 C50 C45 -176.5(18) . . . . ?
C46 C45 C50 C51 24(3) . . . . ?
C44 C45 C50 C51 -158.8(18) . . . . ?
C46 C45 C50 C49 -159(2) . . . . ?
C44 C45 C50 C49 18(3) . . . . ?
C49 C50 C51 C52 1(3) . . . . ?
C45 C50 C51 C52 178.5(17) . . . . ?
C48 N10 C52 C51 7(3) . . . . ?
Cu3 N10 C52 C51 -175.9(14) 4_556 . . . ?
C50 C51 C52 N10 -5(3) . . . . ?
