#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/50/4305036.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_4305036
loop_
_publ_author_name
'Jian-Wen Cheng'
'Shou-Tian Zheng'
'Guo-Yu Yang'
_publ_section_title
;
Incorporating Distinct Metal Clusters To Construct Diversity of 3D
Pillared-Layer Lanthanide-Transition-Metal Frameworks
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4930
_journal_page_last               4935
_journal_paper_doi               10.1021/ic800221j
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C49 H35.6 Cu5 Er4 I4 N8 O22.3'
_chemical_formula_weight         2587.59
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                102.776(2)
_cell_angle_beta                 109.1520(10)
_cell_angle_gamma                99.330(2)
_cell_formula_units_Z            2
_cell_length_a                   13.583(3)
_cell_length_b                   14.015(3)
_cell_length_c                   19.705(4)
_cell_measurement_reflns_used    8568
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4758
_cell_measurement_theta_min      2.1695
_cell_volume                     3341.8(12)
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_device_type  'mercury CCD'
_diffrn_measurement_method       dtprofit.ref
_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  0.0259
_diffrn_reflns_av_sigmaI/netI    0.0420
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            25183
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.17
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  .
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    8.443
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.6892
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.571
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             2386
_exptl_crystal_size_max          0.1600
_exptl_crystal_size_mid          0.0800
_exptl_crystal_size_min          0.0500
_refine_diff_density_max         1.575
_refine_diff_density_min         -2.703
_refine_diff_density_rms         0.361
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     842
_refine_ls_number_reflns         14842
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0498
_refine_ls_R_factor_gt           0.0412
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0455P)²+23.6446P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0999
_refine_ls_wR_factor_ref         0.1058
_reflns_number_gt                12636
_reflns_number_total             14842
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic800221j-file002_3.cif
_cod_data_source_block           3
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        3341.9(13)
_cod_original_formula_sum        'C49 H35.60 Cu5 Er4 I4 N8 O22.30'
_cod_database_code               4305036
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 0.98032(2) -0.27940(2) 0.989490(16) 0.01438(7) Uani 1 1 d . . .
Er2 Er 0.67845(2) -0.38051(2) 0.943054(16) 0.01430(7) Uani 1 1 d . . .
Er3 Er 0.90188(2) -0.49133(2) 1.051146(15) 0.01220(7) Uani 1 1 d . . .
Er4 Er 0.58697(2) -0.59420(2) 1.009443(17) 0.01561(7) Uani 1 1 d . . .
Cu1 Cu 1.3095(5) -0.2034(4) 1.4966(3) 0.0825(15) Uani 0.45 1 d P . .
Cu1' Cu 1.3057(4) -0.1454(3) 1.5020(2) 0.0746(11) Uani 0.55 1 d P . .
Cu2 Cu 0.92257(19) -0.28901(16) 1.51812(8) 0.0961(7) Uani 1 1 d . . .
Cu3 Cu 0.54201(17) -0.24157(12) 0.54790(7) 0.0819(6) Uani 1 1 d . . .
Cu4 Cu 0.35376(19) -0.20863(16) 0.61640(10) 0.0923(6) Uani 1 1 d . . .
Cu5 Cu 0.07284(13) -1.00627(12) 0.56054(7) 0.0669(4) Uani 1 1 d . . .
I1 I 0.49405(6) -0.06679(5) 0.59412(4) 0.05301(17) Uani 1 1 d . . .
I2 I 0.34046(7) -0.38687(6) 0.53206(5) 0.0629(2) Uani 1 1 d . . .
I3 I 0.15431(6) -0.17222(7) 0.55418(4) 0.0615(2) Uani 1 1 d . . .
I4 I 0.12974(6) -0.91135(6) 0.46964(4) 0.05286(17) Uani 1 1 d . . .
C1 C 1.2348(5) -0.2635(5) 1.0116(4) 0.0190(13) Uani 1 1 d . . .
C2 C 1.1925(6) 0.1377(5) 1.0214(4) 0.0218(14) Uani 1 1 d . . .
C3 C 1.2315(6) -0.1554(5) 1.0223(4) 0.0237(15) Uani 1 1 d . . .
C4 C 1.1284(6) -0.0424(5) 1.0160(5) 0.0270(16) Uani 1 1 d . . .
H4A H 1.0621 -0.0284 1.0107 0.032 Uiso 1 1 calc R . .
C5 C 1.2121(6) 0.0350(5) 1.0253(4) 0.0240(15) Uani 1 1 d . . .
C6 C 1.3118(7) 0.0161(6) 1.0367(6) 0.040(2) Uani 1 1 d . . .
H6A H 1.3710 0.0673 1.0447 0.048 Uiso 1 1 calc R . .
C7 C 1.3220(6) -0.0809(6) 1.0360(6) 0.036(2) Uani 1 1 d . . .
H7A H 1.3885 -0.0957 1.0446 0.044 Uiso 1 1 calc R . .
C8 C 1.0815(6) -0.2660(5) 1.1535(4) 0.0237(15) Uani 1 1 d . . .
C9 C 1.1400(6) -0.2392(6) 1.2371(4) 0.0270(16) Uani 1 1 d . . .
C10 C 1.1567(8) -0.3152(8) 1.2698(5) 0.047(2) Uani 1 1 d . . .
H10A H 1.1332 -0.3823 1.2402 0.056 Uiso 1 1 calc R . .
C11 C 1.2075(10) -0.2918(10) 1.3453(6) 0.065(3) Uani 1 1 d . . .
H11A H 1.2169 -0.3445 1.3665 0.078 Uiso 1 1 calc R . .
C12 C 1.2288(9) -0.1228(11) 1.3592(6) 0.075(4) Uani 1 1 d . . .
H12A H 1.2530 -0.0564 1.3903 0.090 Uiso 1 1 calc R . .
C13 C 1.1772(9) -0.1412(7) 1.2813(5) 0.051(3) Uani 1 1 d . . .
H13A H 1.1687 -0.0882 1.2605 0.061 Uiso 1 1 calc R . .
C14 C 0.9726(6) -0.6436(6) 1.1651(4) 0.0241(15) Uani 1 1 d . . .
C15 C 0.9937(7) -0.6595(6) 1.2421(4) 0.0328(18) Uani 1 1 d . . .
C16 C 1.0092(9) -0.7488(7) 1.2538(5) 0.046(2) Uani 1 1 d . . .
H16A H 1.0027 -0.8023 1.2137 0.055 Uiso 1 1 calc R . .
C17 C 1.0347(11) -0.7607(9) 1.3247(5) 0.062(3) Uani 1 1 d . . .
H17A H 1.0436 -0.8230 1.3309 0.074 Uiso 1 1 calc R . .
C18 C 1.0356(11) -0.5978(9) 1.3742(5) 0.063(3) Uani 1 1 d . . .
H18A H 1.0481 -0.5442 1.4160 0.076 Uiso 1 1 calc R . .
C19 C 1.0056(10) -0.5806(8) 1.3035(6) 0.055(3) Uani 1 1 d . . .
H19A H 0.9942 -0.5186 1.2979 0.066 Uiso 1 1 calc R . .
C20 C 0.7839(6) -0.4544(6) 1.1710(4) 0.0242(15) Uani 1 1 d . . .
C21 C 0.8111(6) -0.4140(6) 1.2543(4) 0.0280(16) Uani 1 1 d . . .
C22 C 0.7528(10) -0.4558(8) 1.2899(6) 0.061(3) Uani 1 1 d . . .
H22A H 0.6906 -0.5079 1.2624 0.073 Uiso 1 1 calc R . .
C23 C 0.7873(12) -0.4196(10) 1.3678(6) 0.070(4) Uani 1 1 d . . .
H23A H 0.7497 -0.4515 1.3919 0.084 Uiso 1 1 calc R . .
C24 C 0.9259(10) -0.2999(8) 1.3733(5) 0.059(3) Uani 1 1 d . . .
H24A H 0.9851 -0.2449 1.4012 0.071 Uiso 1 1 calc R . .
C25 C 0.8978(8) -0.3350(7) 1.2963(5) 0.044(2) Uani 1 1 d . . .
H25A H 0.9385 -0.3043 1.2734 0.052 Uiso 1 1 calc R . .
C26 C 0.7829(5) -0.3952(5) 0.8149(4) 0.0209(14) Uani 1 1 d . . .
C27 C 0.7356(6) -0.3499(5) 0.7537(4) 0.0232(15) Uani 1 1 d . . .
C28 C 0.7173(8) -0.3990(7) 0.6794(5) 0.042(2) Uani 1 1 d . . .
H28A H 0.7361 -0.4597 0.6678 0.050 Uiso 1 1 calc R . .
C29 C 0.6721(9) -0.3584(8) 0.6237(5) 0.054(3) Uani 1 1 d . . .
H29A H 0.6619 -0.3924 0.5747 0.064 Uiso 1 1 calc R . .
C30 C 0.6605(9) -0.2246(7) 0.7068(5) 0.049(3) Uani 1 1 d . . .
H30A H 0.6415 -0.1637 0.7165 0.059 Uiso 1 1 calc R . .
C31 C 0.7063(8) -0.2596(7) 0.7664(5) 0.040(2) Uani 1 1 d . . .
H31A H 0.7175 -0.2228 0.8150 0.048 Uiso 1 1 calc R . .
C32 C 0.6088(6) -0.5994(6) 0.8024(4) 0.0275(16) Uani 1 1 d . . .
C33 C 0.5564(7) -0.6442(6) 0.7165(4) 0.0281(16) Uani 1 1 d . . .
C34 C 0.5152(8) -0.5852(6) 0.6717(5) 0.042(2) Uani 1 1 d . . .
H34A H 0.5119 -0.5203 0.6933 0.051 Uiso 1 1 calc R . .
C35 C 0.4790(9) -0.6242(7) 0.5946(5) 0.050(3) Uani 1 1 d . . .
H35A H 0.4549 -0.5830 0.5651 0.060 Uiso 1 1 calc R . .
C36 C 0.5107(8) -0.7770(7) 0.6045(5) 0.042(2) Uani 1 1 d . . .
H36A H 0.5071 -0.8438 0.5819 0.051 Uiso 1 1 calc R . .
C37 C 0.5501(7) -0.7428(6) 0.6812(5) 0.0349(18) Uiso 1 1 d . . .
H37A H 0.5726 -0.7859 0.7094 0.042 Uiso 1 1 calc R . .
C38 C 0.4863(6) -0.2902(6) 0.8800(4) 0.0276(16) Uani 1 1 d . . .
C39 C 0.4238(8) -0.2312(7) 0.8362(5) 0.039(2) Uani 1 1 d . . .
C40 C 0.3677(12) -0.1725(11) 0.8655(8) 0.080(4) Uani 1 1 d U . .
H40A H 0.3652 -0.1720 0.9122 0.096 Uiso 1 1 calc R . .
C41 C 0.3143(16) -0.1134(15) 0.8257(11) 0.120(6) Uani 1 1 d U . .
H41A H 0.2813 -0.0682 0.8463 0.144 Uiso 1 1 calc R . .
C42 C 0.3130(15) -0.1258(13) 0.7529(10) 0.106(5) Uani 1 1 d U . .
H42A H 0.2722 -0.0923 0.7232 0.127 Uiso 1 1 calc R . .
C43 C 0.4210(9) -0.2361(8) 0.7648(5) 0.049(2) Uani 1 1 d . . .
H43A H 0.4577 -0.2777 0.7449 0.058 Uiso 1 1 calc R . .
C44 C 0.3628(6) -0.7240(5) 0.8899(4) 0.0249(15) Uani 1 1 d . . .
C45 C 0.2895(6) -0.7950(6) 0.8135(4) 0.0285(16) Uani 1 1 d . . .
C46 C 0.1853(7) -0.8453(7) 0.7965(5) 0.043(2) Uani 1 1 d . . .
H46A H 0.1562 -0.8381 0.8334 0.052 Uiso 1 1 calc R . .
C47 C 0.1240(8) -0.9064(8) 0.7248(5) 0.050(3) Uani 1 1 d . . .
H47A H 0.0540 -0.9414 0.7148 0.060 Uiso 1 1 calc R . .
C48 C 0.2619(9) -0.8692(10) 0.6862(6) 0.064(3) Uani 1 1 d . . .
H48A H 0.2888 -0.8763 0.6481 0.076 Uiso 1 1 calc R . .
C49 C 0.3301(9) -0.8089(9) 0.7572(5) 0.055(3) Uani 1 1 d . . .
H49A H 0.4014 -0.7784 0.7669 0.066 Uiso 1 1 calc R . .
O1 O 1.1518(4) -0.3254(3) 1.0083(3) 0.0170(9) Uani 1 1 d . . .
O2 O 1.3154(4) -0.2864(4) 1.0023(4) 0.0320(13) Uani 1 1 d . . .
O3 O 1.2733(4) 0.2033(4) 1.0287(3) 0.0280(12) Uani 1 1 d . . .
O4 O 1.1002(4) 0.1478(4) 1.0125(3) 0.0268(11) Uani 1 1 d . . .
O5 O 1.0659(5) -0.1968(4) 1.1231(3) 0.0339(13) Uani 1 1 d . . .
O6 O 1.0512(4) -0.3574(4) 1.1163(3) 0.0295(12) Uani 1 1 d . . .
O7 O 0.9942(4) -0.7096(4) 1.1212(3) 0.0241(11) Uani 1 1 d . . .
O8 O 0.9385(5) -0.5711(4) 1.1515(3) 0.0303(12) Uani 1 1 d . . .
O9 O 0.8480(4) -0.4164(4) 1.1460(3) 0.0270(11) Uani 1 1 d . . .
O10 O 0.6975(5) -0.5221(5) 1.1328(3) 0.0387(14) Uani 1 1 d . . .
O11 O 0.8120(4) -0.4729(4) 0.7995(3) 0.0296(12) Uani 1 1 d . . .
O12 O 0.7942(4) -0.3458(4) 0.8821(3) 0.0195(10) Uani 1 1 d . . .
O13 O 0.6509(6) -0.6537(4) 0.8381(3) 0.0453(17) Uani 1 1 d . . .
O14 O 0.6034(4) -0.5113(4) 0.8275(3) 0.0259(11) Uani 1 1 d . . .
O15 O 0.5451(5) -0.3332(4) 0.8554(3) 0.0369(13) Uani 1 1 d . . .
O16 O 0.4798(5) -0.2878(4) 0.9425(3) 0.0397(14) Uani 1 1 d . . .
O17 O 0.4613(4) -0.7052(4) 0.9034(3) 0.0327(13) Uani 1 1 d . . .
O18 O 0.3211(5) -0.6861(4) 0.9336(3) 0.0331(13) Uani 1 1 d . . .
O19 O 0.8538(4) -0.3384(3) 1.0313(2) 0.0154(9) Uani 1 1 d . . .
O20 O 0.7232(3) -0.5237(3) 0.9761(2) 0.0133(8) Uani 1 1 d . . .
O21 O 0.9468(3) -0.4527(3) 0.9529(2) 0.0128(8) Uani 1 1 d . . .
O22 O 0.4792(4) -0.5146(3) 1.0585(3) 0.0185(9) Uani 1 1 d . . .
N1 N 1.1358(5) -0.1356(4) 1.0141(4) 0.0240(13) Uani 1 1 d . . .
N2 N 1.2442(8) -0.1988(10) 1.3902(5) 0.070(3) Uani 1 1 d . . .
N3 N 1.0470(9) -0.6864(7) 1.3846(5) 0.062(3) Uani 1 1 d . . .
N4 N 0.8713(9) -0.3419(7) 1.4087(4) 0.060(3) Uani 1 1 d . . .
N5 N 0.6417(7) -0.2731(6) 0.6354(4) 0.046(2) Uani 1 1 d . . .
N6 N 0.4770(7) -0.7193(6) 0.5602(4) 0.0413(18) Uani 1 1 d . . .
N7 N 0.3684(10) -0.1841(8) 0.7235(5) 0.075(3) Uani 1 1 d . . .
N8 N 0.1597(7) -0.9182(7) 0.6685(4) 0.051(2) Uani 1 1 d . . .
OW O 1.035(2) -0.9866(19) 1.1738(14) 0.061(7) Uani 0.30 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'
I I -0.4742 1.8119 '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
O19 Er1 O4 83.11(17) . 2_757 ?
O19 Er1 O7 139.84(17) . 2_747 ?
O4 Er1 O7 96.53(19) 2_757 2_747 ?
O19 Er1 O21 73.33(15) . . ?
O4 Er1 O21 143.60(17) 2_757 . ?
O7 Er1 O21 84.83(16) 2_747 . ?
O19 Er1 O5 78.02(18) . . ?
O4 Er1 O5 84.7(2) 2_757 . ?
O7 Er1 O5 142.11(19) 2_747 . ?
O21 Er1 O5 115.97(17) . . ?
O19 Er1 O1 126.25(15) . . ?
O4 Er1 O1 144.19(16) 2_757 . ?
O7 Er1 O1 74.33(17) 2_747 . ?
O21 Er1 O1 71.22(14) . . ?
O5 Er1 O1 82.72(19) . . ?
O19 Er1 N1 145.03(18) . . ?
O4 Er1 N1 78.61(19) 2_757 . ?
O7 Er1 N1 72.3(2) 2_747 . ?
O21 Er1 N1 135.03(17) . . ?
O5 Er1 N1 70.9(2) . . ?
O1 Er1 N1 65.59(17) . . ?
O19 Er1 O12 69.32(15) . . ?
O4 Er1 O12 72.33(17) 2_757 . ?
O7 Er1 O12 72.37(16) 2_747 . ?
O21 Er1 O12 73.53(15) . . ?
O5 Er1 O12 141.70(18) . . ?
O1 Er1 O12 132.94(15) . . ?
N1 Er1 O12 130.59(19) . . ?
O19 Er1 O6 63.18(15) . . ?
O4 Er1 O6 124.69(18) 2_757 . ?
O7 Er1 O6 137.70(16) 2_747 . ?
O21 Er1 O6 68.02(14) . . ?
O5 Er1 O6 47.96(16) . . ?
O1 Er1 O6 66.65(15) . . ?
N1 Er1 O6 104.26(18) . . ?
O12 Er1 O6 125.11(14) . . ?
O19 Er1 Er3 41.51(11) . . ?
O4 Er1 Er3 124.59(13) 2_757 . ?
O7 Er1 Er3 124.95(13) 2_747 . ?
O21 Er1 Er3 40.18(10) . . ?
O5 Er1 Er3 82.34(13) . . ?
O1 Er1 Er3 86.66(11) . . ?
N1 Er1 Er3 143.07(15) . . ?
O12 Er1 Er3 86.04(11) . . ?
O6 Er1 Er3 39.76(10) . . ?
O19 Er1 Er2 33.69(11) . . ?
O4 Er1 Er2 71.02(13) 2_757 . ?
O7 Er1 Er2 108.34(13) 2_747 . ?
O21 Er1 Er2 74.05(10) . . ?
O5 Er1 Er2 107.80(15) . . ?
O1 Er1 Er2 144.79(10) . . ?
N1 Er1 Er2 149.54(14) . . ?
O12 Er1 Er2 36.10(10) . . ?
O6 Er1 Er2 95.06(10) . . ?
Er3 Er1 Er2 62.567(8) . . ?
O19 Er1 Er3 102.46(11) . 2_747 ?
O4 Er1 Er3 168.16(14) 2_757 2_747 ?
O7 Er1 Er3 72.42(12) 2_747 2_747 ?
O21 Er1 Er3 33.85(10) . 2_747 ?
O5 Er1 Er3 106.60(15) . 2_747 ?
O1 Er1 Er3 38.03(10) . 2_747 ?
N1 Er1 Er3 101.37(14) . 2_747 ?
O12 Er1 Er3 99.64(11) . 2_747 ?
O6 Er1 Er3 66.97(10) . 2_747 ?
Er3 Er1 Er3 61.974(15) . 2_747 ?
Er2 Er1 Er3 107.848(15) . 2_747 ?
O12 Er2 O19 72.59(16) . . ?
O12 Er2 O3 74.53(17) . 2_757 ?
O19 Er2 O3 78.01(17) . 2_757 ?
O12 Er2 O20 100.97(16) . . ?
O19 Er2 O20 69.22(15) . . ?
O3 Er2 O20 146.57(17) 2_757 . ?
O12 Er2 O15 89.37(19) . . ?
O19 Er2 O15 148.15(19) . . ?
O3 Er2 O15 71.9(2) 2_757 . ?
O20 Er2 O15 141.57(18) . . ?
O12 Er2 O14 76.16(17) . . ?
O19 Er2 O14 126.80(17) . . ?
O3 Er2 O14 132.05(19) 2_757 . ?
O20 Er2 O14 75.99(17) . . ?
O15 Er2 O14 70.7(2) . . ?
O12 Er2 O22 148.52(16) . 2_647 ?
O19 Er2 O22 128.34(16) . 2_647 ?
O3 Er2 O22 128.16(16) 2_757 2_647 ?
O20 Er2 O22 71.92(15) . 2_647 ?
O15 Er2 O22 80.02(19) . 2_647 ?
O14 Er2 O22 72.36(17) . 2_647 ?
O12 Er2 O18 135.18(19) . 2_647 ?
O19 Er2 O18 70.66(17) . 2_647 ?
O3 Er2 O18 73.5(2) 2_757 2_647 ?
O20 Er2 O18 89.17(18) . 2_647 ?
O15 Er2 O18 109.3(2) . 2_647 ?
O14 Er2 O18 148.0(2) . 2_647 ?
O22 Er2 O18 76.15(18) 2_647 2_647 ?
O12 Er2 Er4 136.07(12) . . ?
O19 Er2 Er4 93.38(11) . . ?
O3 Er2 Er4 144.45(14) 2_757 . ?
O20 Er2 Er4 36.66(10) . . ?
O15 Er2 Er4 117.18(15) . . ?
O14 Er2 Er4 80.55(13) . . ?
O22 Er2 Er4 37.73(11) 2_647 . ?
O18 Er2 Er4 71.08(15) 2_647 . ?
O12 Er2 Er1 40.59(12) . . ?
O19 Er2 Er1 32.50(11) . . ?
O3 Er2 Er1 68.61(12) 2_757 . ?
O20 Er2 Er1 86.31(10) . . ?
O15 Er2 Er1 122.23(15) . . ?
O14 Er2 Er1 108.99(13) . . ?
O22 Er2 Er1 157.36(11) 2_647 . ?
O18 Er2 Er1 97.93(14) 2_647 . ?
Er4 Er2 Er1 119.635(10) . . ?
O12 Er2 Er3 83.15(12) . . ?
O19 Er2 Er3 36.24(11) . . ?
O3 Er2 Er3 114.26(13) 2_757 . ?
O20 Er2 Er3 33.39(10) . . ?
O15 Er2 Er3 168.41(15) . . ?
O14 Er2 Er3 98.77(13) . . ?
O22 Er2 Er3 101.88(11) 2_647 . ?
O18 Er2 Er3 82.20(14) 2_647 . ?
Er4 Er2 Er3 64.174(15) . . ?
Er1 Er2 Er3 55.492(13) . . ?
O6 Er3 O20 139.92(18) . . ?
O6 Er3 O9 81.88(19) . . ?
O20 Er3 O9 83.98(17) . . ?
O6 Er3 O21 71.85(17) . 2_747 ?
O20 Er3 O21 138.32(15) . 2_747 ?
O9 Er3 O21 135.25(17) . 2_747 ?
O6 Er3 O21 78.43(18) . . ?
O20 Er3 O21 88.64(15) . . ?
O9 Er3 O21 139.28(16) . . ?
O21 Er3 O21 70.02(17) 2_747 . ?
O6 Er3 O19 71.28(18) . . ?
O20 Er3 O19 68.65(15) . . ?
O9 Er3 O19 70.53(16) . . ?
O21 Er3 O19 129.32(15) 2_747 . ?
O21 Er3 O19 69.50(15) . . ?
O6 Er3 O8 93.7(2) . . ?
O20 Er3 O8 115.18(17) . . ?
O9 Er3 O8 68.06(17) . . ?
O21 Er3 O8 78.01(16) 2_747 . ?
O21 Er3 O8 147.97(16) . . ?
O19 Er3 O8 137.51(16) . . ?
O6 Er3 O1 142.01(17) . 2_747 ?
O20 Er3 O1 76.02(15) . 2_747 ?
O9 Er3 O1 122.15(17) . 2_747 ?
O21 Er3 O1 70.66(15) 2_747 2_747 ?
O21 Er3 O1 94.35(15) . 2_747 ?
O19 Er3 O1 141.06(15) . 2_747 ?
O8 Er3 O1 72.78(17) . 2_747 ?
O6 Er3 Er1 53.53(15) . . ?
O20 Er3 Er1 93.43(11) . . ?
O9 Er3 Er1 101.43(13) . . ?
O21 Er3 Er1 91.42(11) 2_747 . ?
O21 Er3 Er1 39.02(10) . . ?
O19 Er3 Er1 38.23(10) . . ?
O8 Er3 Er1 147.18(14) . . ?
O1 Er3 Er1 133.01(11) 2_747 . ?
O6 Er3 Er3 71.81(13) . 2_747 ?
O20 Er3 Er3 116.06(11) . 2_747 ?
O9 Er3 Er3 153.68(14) . 2_747 ?
O21 Er3 Er3 35.19(10) 2_747 2_747 ?
O21 Er3 Er3 34.83(10) . 2_747 ?
O19 Er3 Er3 99.80(10) . 2_747 ?
O8 Er3 Er3 113.18(13) . 2_747 ?
O1 Er3 Er3 81.10(10) 2_747 2_747 ?
Er1 Er3 Er3 62.525(11) . 2_747 ?
O6 Er3 Er1 103.98(13) . 2_747 ?
O20 Er3 Er1 112.42(10) . 2_747 ?
O9 Er3 Er1 135.05(13) . 2_747 ?
O21 Er3 Er1 33.27(10) 2_747 2_747 ?
O21 Er3 Er1 84.54(10) . 2_747 ?
O19 Er3 Er1 154.04(10) . 2_747 ?
O8 Er3 Er1 67.11(12) . 2_747 ?
O1 Er3 Er1 38.05(10) 2_747 2_747 ?
Er1 Er3 Er1 118.026(15) . 2_747 ?
Er3 Er3 Er1 55.501(10) 2_747 2_747 ?
O6 Er3 Er2 105.86(15) . . ?
O20 Er3 Er2 34.32(11) . . ?
O9 Er3 Er2 78.62(13) . . ?
O21 Er3 Er2 142.75(10) 2_747 . ?
O21 Er3 Er2 73.11(10) . . ?
O19 Er3 Er2 34.75(11) . . ?
O8 Er3 Er2 138.37(13) . . ?
O1 Er3 Er2 107.50(11) 2_747 . ?
Er1 Er3 Er2 61.940(14) . . ?
Er3 Er3 Er2 107.794(18) 2_747 . ?
Er1 Er3 Er2 137.816(12) 2_747 . ?
O17 Er4 O10 161.3(2) . . ?
O17 Er4 O16 79.6(2) . 2_647 ?
O10 Er4 O16 81.7(2) . 2_647 ?
O17 Er4 O22 100.36(19) . . ?
O10 Er4 O22 77.6(2) . . ?
O16 Er4 O22 78.7(2) 2_647 . ?
O17 Er4 O20 106.24(18) . . ?
O10 Er4 O20 88.89(19) . . ?
O16 Er4 O20 148.8(2) 2_647 . ?
O22 Er4 O20 128.32(16) . . ?
O17 Er4 O2 83.2(2) . 2_747 ?
O10 Er4 O2 90.7(2) . 2_747 ?
O16 Er4 O2 76.5(2) 2_647 2_747 ?
O22 Er4 O2 153.80(19) . 2_747 ?
O20 Er4 O2 73.97(17) . 2_747 ?
O17 Er4 O22 78.7(2) . 2_647 ?
O10 Er4 O22 117.0(2) . 2_647 ?
O16 Er4 O22 137.1(2) 2_647 2_647 ?
O22 Er4 O22 69.48(19) . 2_647 ?
O20 Er4 O22 73.41(15) . 2_647 ?
O2 Er4 O22 136.12(19) 2_747 2_647 ?
O17 Er4 Er2 102.78(15) . . ?
O10 Er4 Er2 95.97(17) . . ?
O16 Er4 Er2 172.62(17) 2_647 . ?
O22 Er4 Er2 94.02(12) . . ?
O20 Er4 Er2 37.52(11) . . ?
O2 Er4 Er2 110.65(14) 2_747 . ?
O22 Er4 Er2 38.43(11) 2_647 . ?
O17 Er4 Er4 89.31(15) . 2_647 ?
O10 Er4 Er4 98.62(16) . 2_647 ?
O16 Er4 Er4 109.31(17) 2_647 2_647 ?
O22 Er4 Er4 35.08(12) . 2_647 ?
O20 Er4 Er4 101.47(11) . 2_647 ?
O2 Er4 Er4 169.59(16) 2_747 2_647 ?
O22 Er4 Er4 34.40(11) 2_647 2_647 ?
Er2 Er4 Er4 63.994(16) . 2_647 ?
Cu1' Cu1 N2 77.1(7) . . ?
Cu1' Cu1 Cu4 100.2(6) . 1_656 ?
N2 Cu1 Cu4 169.9(5) . 1_656 ?
Cu1' Cu1 I1 66.5(6) . 1_656 ?
N2 Cu1 I1 120.3(4) . 1_656 ?
Cu4 Cu1 I1 66.24(14) 1_656 1_656 ?
Cu1' Cu1 I3 70.4(7) . 1_656 ?
N2 Cu1 I3 103.9(4) . 1_656 ?
Cu4 Cu1 I3 66.15(16) 1_656 1_656 ?
I1 Cu1 I3 106.09(17) 1_656 1_656 ?
Cu1' Cu1 I2 160.2(6) . 1_656 ?
N2 Cu1 I2 122.4(4) . 1_656 ?
Cu4 Cu1 I2 60.01(14) 1_656 1_656 ?
I1 Cu1 I2 102.32(18) 1_656 1_656 ?
I3 Cu1 I2 98.87(19) 1_656 1_656 ?
Cu1 Cu1' N2 79.6(7) . . ?
Cu1 Cu1' I1 96.2(7) . 1_656 ?
N2 Cu1' I1 131.9(4) . 1_656 ?
Cu1 Cu1' Cu4 61.5(5) . 1_656 ?
N2 Cu1' Cu4 139.9(5) . 1_656 ?
I1 Cu1' Cu4 66.00(11) 1_656 1_656 ?
Cu1 Cu1' I3 92.5(7) . 1_656 ?
N2 Cu1' I3 110.2(3) . 1_656 ?
I1 Cu1' I3 117.87(14) 1_656 1_656 ?
Cu4 Cu1' I3 65.30(12) 1_656 1_656 ?
N3 Cu2 N4 149.4(4) 2_748 . ?
N3 Cu2 I4 107.9(3) 2_748 2_647 ?
N4 Cu2 I4 99.3(3) . 2_647 ?
N3 Cu2 I3 95.3(3) 2_748 1_656 ?
N4 Cu2 I3 100.4(3) . 1_656 ?
I4 Cu2 I3 85.78(6) 2_647 1_656 ?
N6 Cu3 N5 130.4(3) 2_646 . ?
N6 Cu3 I1 114.1(2) 2_646 . ?
N5 Cu3 I1 110.3(2) . . ?
N6 Cu3 I2 97.4(3) 2_646 . ?
N5 Cu3 I2 96.3(3) . . ?
I1 Cu3 I2 99.16(7) . . ?
N7 Cu4 Cu1 163.6(3) . 1_454 ?
N7 Cu4 Cu1' 146.5(3) . 1_454 ?
Cu1 Cu4 Cu1' 18.34(13) 1_454 1_454 ?
N7 Cu4 I2 122.2(3) . . ?
Cu1 Cu4 I2 71.65(15) 1_454 . ?
Cu1' Cu4 I2 89.98(11) 1_454 . ?
N7 Cu4 I1 114.0(4) . . ?
Cu1 Cu4 I1 64.66(16) 1_454 . ?
Cu1' Cu4 I1 56.33(11) 1_454 . ?
I2 Cu4 I1 108.31(8) . . ?
N7 Cu4 I3 100.5(3) . . ?
Cu1 Cu4 I3 65.52(18) 1_454 . ?
Cu1' Cu4 I3 58.49(12) 1_454 . ?
I2 Cu4 I3 104.96(8) . . ?
I1 Cu4 I3 104.78(6) . . ?
N8 Cu5 Cu5 137.9(3) . 2_536 ?
N8 Cu5 I4 115.6(3) . 2_536 ?
Cu5 Cu5 I4 61.72(6) 2_536 2_536 ?
N8 Cu5 I4 107.6(3) . . ?
Cu5 Cu5 I4 59.18(7) 2_536 . ?
I4 Cu5 I4 120.90(6) 2_536 . ?
N8 Cu5 I3 102.5(3) . 1_545 ?
Cu5 Cu5 I3 119.50(8) 2_536 1_545 ?
I4 Cu5 I3 100.90(6) 2_536 1_545 ?
I4 Cu5 I3 107.18(6) . 1_545 ?
Cu1' I1 Cu3 88.26(12) 1_454 . ?
Cu1' I1 Cu1 17.32(13) 1_454 1_454 ?
Cu3 I1 Cu1 71.89(14) . 1_454 ?
Cu1' I1 Cu4 57.68(11) 1_454 . ?
Cu3 I1 Cu4 75.33(7) . . ?
Cu1 I1 Cu4 49.10(12) 1_454 . ?
Cu4 I2 Cu1 48.35(10) . 1_454 ?
Cu4 I2 Cu3 71.54(6) . . ?
Cu1 I2 Cu3 64.86(14) 1_454 . ?
Cu1' I3 Cu5 107.89(11) 1_454 1_565 ?
Cu1' I3 Cu1 17.07(11) 1_454 1_454 ?
Cu5 I3 Cu1 124.62(13) 1_565 1_454 ?
Cu1' I3 Cu4 56.22(10) 1_454 . ?
Cu5 I3 Cu4 135.98(6) 1_565 . ?
Cu1 I3 Cu4 48.33(11) 1_454 . ?
Cu1' I3 Cu2 144.80(9) 1_454 1_454 ?
Cu5 I3 Cu2 84.78(6) 1_565 1_454 ?
Cu1 I3 Cu2 134.62(12) 1_454 1_454 ?
Cu4 I3 Cu2 133.45(7) . 1_454 ?
Cu5 I4 Cu5 59.10(6) 2_536 . ?
Cu5 I4 Cu2 88.54(6) 2_536 2_647 ?
Cu5 I4 Cu2 112.90(6) . 2_647 ?
O2 C1 O1 125.7(6) . . ?
O2 C1 C3 117.1(6) . . ?
O1 C1 C3 117.0(6) . . ?
O4 C2 O3 127.6(6) . . ?
O4 C2 C5 117.1(6) . . ?
O3 C2 C5 115.2(6) . . ?
N1 C3 C7 122.2(6) . . ?
N1 C3 C1 116.6(6) . . ?
C7 C3 C1 121.2(6) . . ?
N1 C4 C5 124.2(7) . . ?
C4 C5 C6 118.3(7) . . ?
C4 C5 C2 119.7(6) . . ?
C6 C5 C2 122.0(6) . . ?
C5 C6 C7 118.5(7) . . ?
C3 C7 C6 119.0(7) . . ?
O6 C8 O5 122.3(7) . . ?
O6 C8 C9 118.0(7) . . ?
O5 C8 C9 119.7(6) . . ?
C13 C9 C10 119.2(8) . . ?
C13 C9 C8 121.5(8) . . ?
C10 C9 C8 119.3(7) . . ?
C11 C10 C9 119.7(10) . . ?
N2 C11 C10 123.3(11) . . ?
N2 C12 C13 121.8(10) . . ?
C9 C13 C12 117.9(11) . . ?
O8 C14 O7 126.7(7) . . ?
O8 C14 C15 119.7(7) . . ?
O7 C14 C15 113.6(7) . . ?
C16 C15 C19 118.3(8) . . ?
C16 C15 C14 120.7(7) . . ?
C19 C15 C14 120.8(8) . . ?
C15 C16 C17 120.5(9) . . ?
N3 C17 C16 122.6(10) . . ?
N3 C18 C19 123.5(9) . . ?
C15 C19 C18 117.6(10) . . ?
O9 C20 O10 125.8(7) . . ?
O9 C20 C21 116.6(7) . . ?
O10 C20 C21 117.6(7) . . ?
C25 C21 C22 118.1(8) . . ?
C25 C21 C20 119.5(7) . . ?
C22 C21 C20 122.4(8) . . ?
C21 C22 C23 119.3(10) . . ?
N4 C23 C22 122.6(10) . . ?
N4 C24 C25 122.4(10) . . ?
C21 C25 C24 119.9(9) . . ?
O11 C26 O12 124.5(7) . . ?
O11 C26 C27 119.1(6) . . ?
O12 C26 C27 116.4(6) . . ?
C31 C27 C28 116.4(7) . . ?
C31 C27 C26 123.1(6) . . ?
C28 C27 C26 120.5(7) . . ?
C29 C28 C27 120.2(8) . . ?
N5 C29 C28 123.5(8) . . ?
N5 C30 C31 123.8(9) . . ?
C30 C31 C27 119.4(8) . . ?
O13 C32 O14 127.8(7) . . ?
O13 C32 C33 116.9(7) . . ?
O14 C32 C33 115.3(7) . . ?
C37 C33 C34 117.8(7) . . ?
C37 C33 C32 121.7(7) . . ?
C34 C33 C32 120.5(7) . . ?
C35 C34 C33 119.0(8) . . ?
N6 C35 C34 123.0(8) . . ?
N6 C36 C37 123.5(8) . . ?
C36 C37 C33 119.7(8) . . ?
O15 C38 O16 124.2(7) . . ?
O15 C38 C39 118.8(7) . . ?
O16 C38 C39 116.9(8) . . ?
C40 C39 C43 119.2(9) . . ?
C40 C39 C38 120.8(9) . . ?
C43 C39 C38 120.0(8) . . ?
C39 C40 C41 120.2(14) . . ?
C40 C41 C42 116.3(15) . . ?
N7 C42 C41 123.5(13) . . ?
N7 C43 C39 122.9(9) . . ?
O17 C44 O18 124.9(7) . . ?
O17 C44 C45 116.6(7) . . ?
O18 C44 C45 118.4(7) . . ?
C46 C45 C49 118.2(8) . . ?
C46 C45 C44 124.0(7) . . ?
C49 C45 C44 117.7(8) . . ?
C45 C46 C47 119.8(9) . . ?
N8 C47 C46 123.3(9) . . ?
N8 C48 C49 124.4(9) . . ?
C48 C49 C45 118.1(9) . . ?
C1 O1 Er3 126.0(4) . 2_747 ?
C1 O1 Er1 121.3(4) . . ?
Er3 O1 Er1 103.92(16) 2_747 . ?
C1 O2 Er4 149.1(5) . 2_747 ?
C2 O3 Er2 135.8(4) . 2_757 ?
C2 O4 Er1 135.5(4) . 2_757 ?
C8 O5 Er1 106.1(4) . . ?
C8 O6 Er3 143.4(5) . . ?
C8 O6 Er1 83.6(5) . . ?
Er3 O6 Er1 86.71(17) . . ?
C14 O7 Er1 134.4(5) . 2_747 ?
C14 O8 Er3 138.2(5) . . ?
C20 O9 Er3 129.8(5) . . ?
C20 O10 Er4 138.2(5) . . ?
C26 O12 Er2 126.2(4) . . ?
C26 O12 Er1 121.2(4) . . ?
Er2 O12 Er1 103.31(17) . . ?
C32 O14 Er2 138.1(5) . . ?
C38 O15 Er2 115.9(5) . . ?
C38 O16 Er4 134.4(5) . 2_647 ?
C44 O17 Er4 123.8(5) . . ?
C44 O18 Er2 152.4(5) . 2_647 ?
Er1 O19 Er2 113.81(19) . . ?
Er1 O19 Er3 100.26(16) . . ?
Er2 O19 Er3 109.00(17) . . ?
Er3 O20 Er4 122.07(19) . . ?
Er3 O20 Er2 112.29(17) . . ?
Er4 O20 Er2 105.83(16) . . ?
Er1 O21 Er3 112.88(17) . 2_747 ?
Er1 O21 Er3 100.80(16) . . ?
Er3 O21 Er3 109.98(17) 2_747 . ?
Er4 O22 Er4 110.52(18) . 2_647 ?
Er4 O22 Er2 117.04(19) . 2_647 ?
Er4 O22 Er2 103.84(17) 2_647 2_647 ?
C4 N1 C3 117.7(6) . . ?
C4 N1 Er1 124.2(5) . . ?
C3 N1 Er1 118.0(4) . . ?
C11 N2 C12 118.0(9) . . ?
C11 N2 Cu1' 131.1(10) . . ?
C12 N2 Cu1' 110.4(9) . . ?
C11 N2 Cu1 108.5(9) . . ?
C12 N2 Cu1 133.5(9) . . ?
Cu1' N2 Cu1 23.31(17) . . ?
C18 N3 C17 117.4(9) . . ?
C18 N3 Cu2 122.6(7) . 2_748 ?
C17 N3 Cu2 120.0(8) . 2_748 ?
C23 N4 C24 117.6(8) . . ?
C23 N4 Cu2 123.9(7) . . ?
C24 N4 Cu2 118.5(8) . . ?
C29 N5 C30 116.6(8) . . ?
C29 N5 Cu3 118.9(6) . . ?
C30 N5 Cu3 122.8(7) . . ?
C36 N6 C35 116.8(7) . . ?
C36 N6 Cu3 121.8(6) . 2_646 ?
C35 N6 Cu3 119.8(6) . 2_646 ?
C43 N7 C42 117.6(11) . . ?
C43 N7 Cu4 120.0(8) . . ?
C42 N7 Cu4 121.8(9) . . ?
C47 N8 C48 116.1(8) . . ?
C47 N8 Cu5 125.5(7) . . ?
C48 N8 Cu5 118.4(7) . . ?
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 O19 2.255(4) . ?
Er1 O4 2.293(5) 2_757 ?
Er1 O7 2.294(5) 2_747 ?
Er1 O21 2.298(4) . ?
Er1 O5 2.414(5) . ?
Er1 O1 2.451(4) . ?
Er1 N1 2.505(6) . ?
Er1 O12 2.567(5) . ?
Er1 O6 2.888(6) . ?
Er1 Er3 3.5851(7) . ?
Er1 Er2 3.8392(9) . ?
Er1 Er3 3.8595(7) 2_747 ?
Er2 O12 2.324(5) . ?
Er2 O19 2.328(4) . ?
Er2 O3 2.352(5) 2_757 ?
Er2 O20 2.353(4) . ?
Er2 O15 2.355(6) . ?
Er2 O14 2.368(5) . ?
Er2 O22 2.380(5) 2_647 ?
Er2 O18 2.400(5) 2_647 ?
Er2 Er4 3.7173(7) . ?
Er2 Er3 3.8614(6) . ?
Er3 O6 2.297(5) . ?
Er3 O20 2.297(4) . ?
Er3 O9 2.327(5) . ?
Er3 O21 2.334(4) 2_747 ?
Er3 O21 2.355(4) . ?
Er3 O19 2.415(4) . ?
Er3 O8 2.433(5) . ?
Er3 O1 2.450(4) 2_747 ?
Er3 Er3 3.8400(8) 2_747 ?
Er3 Er1 3.8595(7) 2_747 ?
Er4 O17 2.250(5) . ?
Er4 O10 2.282(5) . ?
Er4 O16 2.286(6) 2_647 ?
Er4 O22 2.303(4) . ?
Er4 O20 2.307(4) . ?
Er4 O2 2.316(5) 2_747 ?
Er4 O22 2.343(5) 2_647 ?
Er4 Er4 3.8175(8) 2_647 ?
Cu1 Cu1' 0.809(5) . ?
Cu1 N2 2.011(10) . ?
Cu1 Cu4 2.259(5) 1_656 ?
Cu1 I1 2.701(6) 1_656 ?
Cu1 I3 2.752(7) 1_656 ?
Cu1 I2 2.869(6) 1_656 ?
Cu1' N2 1.993(9) . ?
Cu1' I1 2.492(4) 1_656 ?
Cu1' Cu4 2.530(4) 1_656 ?
Cu1' I3 2.595(5) 1_656 ?
Cu2 N3 1.946(8) 2_748 ?
Cu2 N4 1.955(8) . ?
Cu2 I4 2.985(2) 2_647 ?
Cu2 I3 3.072(3) 1_656 ?
Cu3 N6 1.996(7) 2_646 ?
Cu3 N5 2.001(8) . ?
Cu3 I1 2.6785(17) . ?
Cu3 I2 3.015(2) . ?
Cu4 N7 1.998(9) . ?
Cu4 Cu1 2.259(5) 1_454 ?
Cu4 Cu1' 2.530(4) 1_454 ?
Cu4 I2 2.618(2) . ?
Cu4 I1 2.735(2) . ?
Cu4 I3 2.766(2) . ?
Cu5 N8 2.040(7) . ?
Cu5 Cu5 2.615(3) 2_536 ?
Cu5 I4 2.6174(18) 2_536 ?
Cu5 I4 2.6841(19) . ?
Cu5 I3 2.729(2) 1_545 ?
I1 Cu1' 2.492(4) 1_454 ?
I1 Cu1 2.701(6) 1_454 ?
I2 Cu1 2.869(6) 1_454 ?
I3 Cu1' 2.595(5) 1_454 ?
I3 Cu5 2.729(2) 1_565 ?
I3 Cu1 2.752(7) 1_454 ?
I3 Cu2 3.072(3) 1_454 ?
I4 Cu5 2.6174(18) 2_536 ?
I4 Cu2 2.985(2) 2_647 ?
C1 O2 1.246(8) . ?
C1 O1 1.280(8) . ?
C1 C3 1.493(9) . ?
C2 O4 1.244(9) . ?
C2 O3 1.257(8) . ?
C2 C5 1.518(9) . ?
C3 N1 1.338(9) . ?
C3 C7 1.384(10) . ?
C4 N1 1.319(9) . ?
C4 C5 1.372(10) . ?
C5 C6 1.377(11) . ?
C6 C7 1.385(11) . ?
C8 O6 1.251(8) . ?
C8 O5 1.258(9) . ?
C8 C9 1.503(10) . ?
C9 C13 1.363(11) . ?
C9 C10 1.373(12) . ?
C10 C11 1.356(14) . ?
C11 N2 1.312(16) . ?
C12 N2 1.351(18) . ?
C12 C13 1.405(15) . ?
C14 O8 1.230(9) . ?
C14 O7 1.262(9) . ?
C14 C15 1.522(10) . ?
C15 C16 1.358(12) . ?
C15 C19 1.390(12) . ?
C16 C17 1.381(12) . ?
C17 N3 1.332(14) . ?
C18 N3 1.328(14) . ?
C18 C19 1.406(14) . ?
C20 O9 1.236(9) . ?
C20 O10 1.260(9) . ?
C20 C21 1.509(10) . ?
C21 C25 1.352(12) . ?
C21 C22 1.363(13) . ?
C22 C23 1.392(14) . ?
C23 N4 1.321(15) . ?
C24 N4 1.328(14) . ?
C24 C25 1.386(12) . ?
C26 O11 1.226(9) . ?
C26 O12 1.298(8) . ?
C26 C27 1.494(10) . ?
C27 C31 1.383(11) . ?
C27 C28 1.392(10) . ?
C28 C29 1.363(13) . ?
C29 N5 1.324(12) . ?
C30 N5 1.337(11) . ?
C30 C31 1.372(12) . ?
C32 O13 1.230(10) . ?
C32 O14 1.250(9) . ?
C32 C33 1.536(10) . ?
C33 C37 1.379(11) . ?
C33 C34 1.388(12) . ?
C34 C35 1.380(12) . ?
C35 N6 1.347(11) . ?
C36 N6 1.340(11) . ?
C36 C37 1.365(12) . ?
C38 O15 1.232(10) . ?
C38 O16 1.255(10) . ?
C38 C39 1.487(11) . ?
C39 C40 1.369(15) . ?
C39 C43 1.381(13) . ?
C40 C41 1.39(2) . ?
C41 C42 1.40(2) . ?
C42 N7 1.358(18) . ?
C43 N7 1.325(12) . ?
C44 O17 1.245(9) . ?
C44 O18 1.250(9) . ?
C44 C45 1.510(10) . ?
C45 C46 1.368(12) . ?
C45 C49 1.384(12) . ?
C46 C47 1.373(12) . ?
C47 N8 1.337(13) . ?
C48 N8 1.338(13) . ?
C48 C49 1.379(13) . ?
O1 Er3 2.450(4) 2_747 ?
O2 Er4 2.316(5) 2_747 ?
O3 Er2 2.352(5) 2_757 ?
O4 Er1 2.293(5) 2_757 ?
O7 Er1 2.294(5) 2_747 ?
O16 Er4 2.286(5) 2_647 ?
O18 Er2 2.400(5) 2_647 ?
O21 Er3 2.334(4) 2_747 ?
O22 Er4 2.343(5) 2_647 ?
O22 Er2 2.380(5) 2_647 ?
N3 Cu2 1.946(8) 2_748 ?
N6 Cu3 1.996(7) 2_646 ?
