#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:14:32 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179717 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/19/7001910.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_7001910
loop_
_publ_author_name
'Tegoni, Matteo'
'Tropiano, Manuel'
'Marchiò, Luciano'
_publ_section_title
;
 Thermodynamics of binding of carboxylates to amphiphilic Eu3+/Cu2+
 metallacrown
;
_journal_issue                   34
_journal_name_full               'Dalton Transactions'
_journal_page_first              6705
_journal_page_last               6708
_journal_paper_doi               10.1039/b911512a
_journal_year                    2009
_chemical_absolute_configuration rmad
_chemical_formula_moiety
'C45 H51 Cu5 Eu N10 O11 2+, N2 O6 2-, 8(H2 O)'
_chemical_formula_sum            'C45 H57 Cu5 Eu N12 O25'
_chemical_formula_weight         1635.69
_chemical_name_systematic
;
?
;
_space_group_IT_number           76
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4w'
_symmetry_space_group_name_H-M   'P 41'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.327(1)
_cell_length_b                   19.327(1)
_cell_length_c                   18.480(1)
_cell_measurement_reflns_used    27088
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.00
_cell_measurement_theta_min      1.05
_cell_volume                     6902.9(6)
_computing_cell_refinement       Saint
_computing_data_collection       Smart
_computing_data_reduction        Saint
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    Sir97
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Smart 1000 CCD'
_diffrn_measurement_method       'theta & omega scan'
_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  0.0787
_diffrn_reflns_av_sigmaI/netI    0.0653
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            76025
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.05
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    2.486
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.662
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.574
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3276
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.641
_refine_diff_density_min         -0.589
_refine_diff_density_rms         0.107
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.032(13)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     796
_refine_ls_number_reflns         13542
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.0941
_refine_ls_R_factor_gt           0.0409
_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)+(0.0620P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0933
_refine_ls_wR_factor_ref         0.1179
_reflns_number_gt                8908
_reflns_number_total             13542
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b911512a.txt
_cod_data_source_block           mt8
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
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_sg_symbol_H-M      P41
_cod_database_code               7001910
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'-y, x, z+1/4'
'y, -x, z+3/4'
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
Eu Eu 0.73854(2) 0.154344(19) 0.76635(2) 0.04728(11) Uani 1 1 d D . .
Cu4 Cu 0.73865(5) 0.08280(5) 0.56938(5) 0.0502(3) Uani 1 1 d . . .
Cu5 Cu 0.78127(5) 0.30567(5) 0.63670(5) 0.0477(2) Uani 1 1 d . . .
Cu2 Cu 0.75329(6) 0.09870(5) 0.96740(6) 0.0614(3) Uani 1 1 d . . .
Cu3 Cu 0.69941(5) -0.03969(4) 0.77464(6) 0.0500(2) Uani 1 1 d . . .
Cu1 Cu 0.76138(6) 0.31939(5) 0.88118(6) 0.0583(3) Uani 1 1 d . . .
O16 O 0.8604(4) 0.1296(4) 0.7681(6) 0.112(3) Uani 1 1 d D . .
N1 N 0.5915(5) 0.1809(5) 0.7751(5) 0.074(2) Uani 1 1 d . . .
O1 O 0.6339(4) 0.2268(4) 0.7680(7) 0.125(3) Uani 1 1 d . . .
O2 O 0.6136(4) 0.1221(4) 0.7802(5) 0.090(2) Uani 1 1 d . . .
O3 O 0.5290(4) 0.1948(4) 0.7769(5) 0.101(2) Uani 1 1 d . . .
N2 N 0.4621(6) -0.1362(7) 0.7765(7) 0.115(4) Uani 1 1 d . . .
O4 O 0.5148(5) -0.0997(6) 0.7786(7) 0.140(4) Uani 1 1 d . . .
O5 O 0.4650(6) -0.1988(6) 0.7816(7) 0.144(4) Uani 1 1 d . . .
O6 O 0.4043(5) -0.1073(7) 0.7708(7) 0.177(5) Uani 1 1 d . . .
O11 O 0.7472(4) 0.1695(3) 0.8947(3) 0.0663(17) Uani 1 1 d . . .
O21 O 0.7518(4) 0.1752(3) 1.0356(3) 0.082(2) Uani 1 1 d . . .
C11 C 0.7490(5) 0.2335(5) 0.9981(5) 0.070(3) Uani 1 1 d . . .
N11 N 0.7474(5) 0.2345(4) 0.9278(4) 0.071(2) Uani 1 1 d . . .
N21 N 0.7617(5) 0.3559(4) 0.9821(4) 0.086(3) Uani 1 1 d . . .
H21A H 0.8041 0.3724 0.9927 0.104 Uiso 1 1 calc R . .
H21B H 0.7315 0.3912 0.9855 0.104 Uiso 1 1 calc R . .
C21 C 0.7431(6) 0.3023(5) 1.0346(5) 0.075(3) Uani 1 1 d . . .
H21 H 0.7773 0.3036 1.0737 0.090 Uiso 1 1 calc R . .
C31 C 0.6720(6) 0.3111(6) 1.0683(6) 0.090(3) Uani 1 1 d . . .
H31A H 0.6379 0.2988 1.0319 0.108 Uiso 1 1 calc R . .
H31B H 0.6679 0.2776 1.1071 0.108 Uiso 1 1 calc R . .
C41 C 0.6523(7) 0.3801(6) 1.0981(6) 0.086(3) Uani 1 1 d . . .
C91 C 0.7002(7) 0.4238(6) 1.1320(6) 0.094(4) Uani 1 1 d . . .
H91 H 0.7463 0.4110 1.1368 0.113 Uiso 1 1 calc R . .
C81 C 0.6764(8) 0.4879(7) 1.1585(7) 0.116(5) Uani 1 1 d . . .
H81 H 0.7075 0.5176 1.1811 0.139 Uiso 1 1 calc R . .
C61 C 0.5658(8) 0.4635(8) 1.1186(9) 0.124(5) Uani 1 1 d . . .
H61 H 0.5197 0.4761 1.1134 0.149 Uiso 1 1 calc R . .
C71 C 0.6088(8) 0.5076(7) 1.1520(8) 0.116(5) Uani 1 1 d . . .
H71 H 0.5932 0.5498 1.1699 0.139 Uiso 1 1 calc R . .
C51 C 0.5859(8) 0.4027(8) 1.0925(8) 0.113(4) Uani 1 1 d . . .
H51 H 0.5535 0.3747 1.0696 0.136 Uiso 1 1 calc R . .
O12 O 0.7371(3) 0.0417(3) 0.8216(3) 0.0557(14) Uani 1 1 d . . .
N12 N 0.7427(4) 0.0300(3) 0.8946(4) 0.0546(17) Uani 1 1 d . . .
C12 C 0.7195(5) -0.0302(5) 0.9151(5) 0.056(2) Uani 1 1 d . . .
O22 O 0.6965(3) -0.0781(3) 0.8719(3) 0.0566(15) Uani 1 1 d . . .
C92 C 0.6054(6) 0.0681(6) 1.0851(6) 0.083(3) Uani 1 1 d . . .
H92 H 0.6218 0.0495 1.1282 0.100 Uiso 1 1 calc R . .
C32 C 0.6442(5) -0.0414(4) 1.0247(5) 0.070(2) Uani 1 1 d . . .
H32A H 0.6164 -0.0731 0.9962 0.083 Uiso 1 1 calc R . .
H32B H 0.6441 -0.0579 1.0742 0.083 Uiso 1 1 calc R . .
C22 C 0.7184(5) -0.0429(4) 0.9962(4) 0.057(2) Uani 1 1 d . . .
H22 H 0.7393 -0.0880 1.0068 0.069 Uiso 1 1 calc R . .
C42 C 0.6108(5) 0.0287(5) 1.0227(6) 0.073(3) Uani 1 1 d . . .
N22 N 0.7608(4) 0.0135(4) 1.0306(4) 0.069(2) Uani 1 1 d . . .
H22A H 0.8053 0.0001 1.0342 0.083 Uiso 1 1 calc R . .
H22B H 0.7448 0.0227 1.0753 0.083 Uiso 1 1 calc R . .
C82 C 0.5771(8) 0.1331(6) 1.0866(8) 0.109(5) Uani 1 1 d . . .
H82 H 0.5756 0.1595 1.1286 0.131 Uiso 1 1 calc R . .
C72 C 0.5507(6) 0.1573(6) 1.0210(10) 0.112(5) Uani 1 1 d . . .
H72 H 0.5282 0.1999 1.0202 0.135 Uiso 1 1 calc R . .
C62 C 0.5563(7) 0.1224(7) 0.9607(7) 0.099(4) Uani 1 1 d . . .
H62 H 0.5404 0.1417 0.9178 0.119 Uiso 1 1 calc R . .
C52 C 0.5856(6) 0.0573(6) 0.9599(7) 0.086(3) Uani 1 1 d . . .
H52 H 0.5882 0.0326 0.9167 0.104 Uiso 1 1 calc R . .
O13 O 0.7210(3) 0.0721(3) 0.6709(3) 0.0574(15) Uani 1 1 d . . .
N13 N 0.6976(4) 0.0049(3) 0.6832(4) 0.0535(17) Uani 1 1 d . . .
C13 C 0.6952(4) -0.0329(4) 0.6258(5) 0.053(2) Uani 1 1 d . . .
O23 O 0.7092(3) -0.0130(3) 0.5606(3) 0.0562(14) Uani 1 1 d . . .
N23 N 0.6578(4) -0.1170(3) 0.7164(4) 0.0547(17) Uani 1 1 d . . .
H23A H 0.6728 -0.1580 0.7332 0.066 Uiso 1 1 calc R . .
H23B H 0.6114 -0.1159 0.7203 0.066 Uiso 1 1 calc R . .
C23 C 0.6782(4) -0.1088(4) 0.6395(4) 0.050(2) Uani 1 1 d . . .
H23 H 0.7208 -0.1353 0.6322 0.060 Uiso 1 1 calc R . .
C43 C 0.6222(6) -0.2162(5) 0.5907(6) 0.070(3) Uani 1 1 d . . .
C33 C 0.6236(5) -0.1383(4) 0.5877(5) 0.067(3) Uani 1 1 d . . .
H33A H 0.5784 -0.1203 0.6007 0.080 Uiso 1 1 calc R . .
H33B H 0.6338 -0.1234 0.5387 0.080 Uiso 1 1 calc R . .
C53 C 0.6669(7) -0.2534(6) 0.5455(8) 0.107(4) Uani 1 1 d . . .
H53 H 0.6956 -0.2304 0.5130 0.128 Uiso 1 1 calc R . .
C93 C 0.5786(7) -0.2499(5) 0.6336(7) 0.092(4) Uani 1 1 d . . .
H93 H 0.5475 -0.2254 0.6622 0.110 Uiso 1 1 calc R . .
C83 C 0.5794(9) -0.3252(8) 0.6358(10) 0.135(7) Uani 1 1 d . . .
H83 H 0.5495 -0.3494 0.6659 0.162 Uiso 1 1 calc R . .
C73 C 0.6237(12) -0.3582(10) 0.5939(12) 0.145(10) Uani 1 1 d . . .
H73 H 0.6240 -0.4063 0.5952 0.174 Uiso 1 1 calc R . .
C63 C 0.6677(11) -0.3264(9) 0.5499(12) 0.150(9) Uani 1 1 d . . .
H63 H 0.6988 -0.3519 0.5223 0.180 Uiso 1 1 calc R . .
C14 C 0.7595(4) 0.2185(4) 0.5302(4) 0.048(2) Uani 1 1 d . . .
O14 O 0.7670(3) 0.2086(3) 0.6530(3) 0.0528(14) Uani 1 1 d . . .
O24 O 0.7654(3) 0.2846(3) 0.5360(3) 0.0508(14) Uani 1 1 d . . .
N14 N 0.7612(4) 0.1770(3) 0.5852(4) 0.0520(17) Uani 1 1 d . . .
C34 C 0.6698(4) 0.1963(5) 0.4364(5) 0.059(2) Uani 1 1 d . . .
H34A H 0.6596 0.2454 0.4393 0.071 Uiso 1 1 calc R . .
H34B H 0.6637 0.1821 0.3865 0.071 Uiso 1 1 calc R . .
C44 C 0.6195(5) 0.1571(5) 0.4835(5) 0.062(2) Uani 1 1 d . . .
N24 N 0.7611(4) 0.1099(4) 0.4676(4) 0.0594(18) Uani 1 1 d . . .
H24A H 0.8061 0.1019 0.4584 0.071 Uiso 1 1 calc R . .
H24B H 0.7356 0.0849 0.4364 0.071 Uiso 1 1 calc R . .
C24 C 0.7457(5) 0.1842(4) 0.4587(5) 0.058(2) Uani 1 1 d . . .
H24 H 0.7765 0.2038 0.4219 0.070 Uiso 1 1 calc R . .
C94 C 0.5951(5) 0.0920(5) 0.4630(7) 0.083(3) Uani 1 1 d . . .
H94 H 0.6093 0.0750 0.4184 0.099 Uiso 1 1 calc R . .
C54 C 0.6006(5) 0.1818(7) 0.5508(7) 0.088(3) Uani 1 1 d . . .
H54 H 0.6171 0.2239 0.5679 0.106 Uiso 1 1 calc R . .
C64 C 0.5540(7) 0.1395(11) 0.5937(8) 0.134(7) Uani 1 1 d . . .
H64 H 0.5361 0.1548 0.6376 0.161 Uiso 1 1 calc R . .
C74 C 0.5378(9) 0.0750(13) 0.5655(14) 0.176(14) Uani 1 1 d . . .
H74 H 0.5131 0.0449 0.5952 0.211 Uiso 1 1 calc R . .
C84 C 0.5539(9) 0.0532(11) 0.5017(12) 0.142(8) Uani 1 1 d . . .
H84 H 0.5369 0.0115 0.4839 0.170 Uiso 1 1 calc R . .
O15 O 0.7746(3) 0.2740(3) 0.7915(3) 0.0529(14) Uani 1 1 d . . .
O25 O 0.7678(3) 0.4024(3) 0.8268(3) 0.0610(15) Uani 1 1 d . . .
C25 C 0.7841(4) 0.4411(4) 0.7006(4) 0.0490(19) Uani 1 1 d . . .
H25 H 0.8218 0.4724 0.7140 0.059 Uiso 1 1 calc R . .
N15 N 0.7799(3) 0.3229(3) 0.7369(4) 0.0476(17) Uani 1 1 d . . .
C15 C 0.7763(4) 0.3852(4) 0.7609(5) 0.0507(19) Uani 1 1 d . . .
C35 C 0.7168(4) 0.4834(4) 0.6945(5) 0.055(2) Uani 1 1 d . . .
H35A H 0.7070 0.5040 0.7412 0.066 Uiso 1 1 calc R . .
H35B H 0.7244 0.5209 0.6605 0.066 Uiso 1 1 calc R . .
N25 N 0.8023(4) 0.4066(3) 0.6342(4) 0.0552(17) Uani 1 1 d . . .
H25A H 0.8478 0.4125 0.6258 0.066 Uiso 1 1 calc R . .
H25B H 0.7790 0.4262 0.5974 0.066 Uiso 1 1 calc R . .
C45 C 0.6540(5) 0.4432(4) 0.6704(5) 0.060(2) Uani 1 1 d . . .
C65 C 0.5590(5) 0.3661(5) 0.6982(6) 0.068(3) Uani 1 1 d . . .
H65 H 0.5328 0.3425 0.7324 0.082 Uiso 1 1 calc R . .
C95 C 0.6332(6) 0.4392(6) 0.6005(6) 0.088(3) Uani 1 1 d . . .
H95 H 0.6582 0.4642 0.5664 0.105 Uiso 1 1 calc R . .
C55 C 0.6147(5) 0.4052(5) 0.7199(6) 0.070(3) Uani 1 1 d . . .
H55 H 0.6264 0.4064 0.7687 0.084 Uiso 1 1 calc R . .
C75 C 0.5424(6) 0.3617(5) 0.6272(6) 0.082(3) Uani 1 1 d . . .
H75 H 0.5070 0.3322 0.6127 0.098 Uiso 1 1 calc R . .
C85 C 0.5773(6) 0.4005(7) 0.5760(8) 0.106(4) Uani 1 1 d . . .
H85 H 0.5640 0.4007 0.5277 0.127 Uiso 1 1 calc R . .
O1W O 0.8263(5) -0.0843(5) 0.7436(6) 0.149(4) Uani 1 1 d . . .
O8W O 0.4805(7) 0.0389(6) 0.7752(12) 0.245(8) Uani 1 1 d . . .
O4W O 0.7256(10) -0.0716(9) 0.4239(8) 0.257(9) Uani 1 1 d . . .
O3W O 0.940(3) 0.052(3) 0.862(3) 0.37(3) Uiso 0.50 1 d P . .
O2W O 0.8960(14) 0.1079(14) 0.9572(15) 0.175(9) Uiso 0.50 1 d P . .
O9W O 0.3603(11) 0.0910(11) 0.7991(12) 0.296(10) Uiso 1 1 d . . .
O5W O 0.8940(12) -0.0685(13) 0.8872(14) 0.161(8) Uiso 0.50 1 d P . .
O6W O 0.975(3) -0.118(3) 0.854(3) 0.37(3) Uiso 0.50 1 d P . .
O7W O 0.2541(14) 0.0251(13) 0.6919(15) 0.176(10) Uiso 0.50 1 d P . .
O10W O 0.1824(17) -0.1870(18) 0.6747(18) 0.226(13) Uiso 0.50 1 d P . .
O11W O 0.265(3) -0.053(3) 0.811(4) 0.19(2) Uiso 0.25 1 d P A 1
O12W O 0.265(2) -0.094(3) 0.782(3) 0.117(12) Uiso 0.25 1 d P B 2
O13W O 0.264(3) -0.142(4) 0.769(5) 0.20(2) Uiso 0.25 1 d P C 3
O14W O 0.276(2) -0.1631(19) 0.689(2) 0.117(12) Uiso 0.25 1 d P D 4
H1 H 0.884(3) 0.096(4) 0.739(5) 0.11(4) Uiso 1 1 d 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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 '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
O11 Eu O13 144.99(18) . . ?
O11 Eu O16 86.7(3) . . ?
O13 Eu O16 90.9(3) . . ?
O11 Eu O12 72.04(19) . . ?
O13 Eu O12 73.15(18) . . ?
O16 Eu O12 80.0(2) . . ?
O11 Eu O14 142.4(2) . . ?
O13 Eu O14 71.40(18) . . ?
O16 Eu O14 82.8(3) . . ?
O12 Eu O14 140.05(18) . . ?
O11 Eu O15 71.23(18) . . ?
O13 Eu O15 143.32(17) . . ?
O16 Eu O15 84.7(2) . . ?
O12 Eu O15 140.77(18) . . ?
O14 Eu O15 71.93(17) . . ?
O11 Eu O1 88.6(3) . . ?
O13 Eu O1 105.7(3) . . ?
O16 Eu O1 156.7(3) . . ?
O12 Eu O1 120.1(3) . . ?
O14 Eu O1 87.2(3) . . ?
O15 Eu O1 72.2(2) . . ?
O11 Eu O2 89.8(3) . . ?
O13 Eu O2 77.0(2) . . ?
O16 Eu O2 153.3(3) . . ?
O12 Eu O2 73.8(2) . . ?
O14 Eu O2 114.7(2) . . ?
O15 Eu O2 119.1(2) . . ?
O1 Eu O2 49.3(2) . . ?
O11 Eu N1 89.5(3) . . ?
O13 Eu N1 91.2(2) . . ?
O16 Eu N1 175.8(3) . . ?
O12 Eu N1 97.2(2) . . ?
O14 Eu N1 101.3(2) . . ?
O15 Eu N1 95.8(2) . . ?
O1 Eu N1 24.6(2) . . ?
O2 Eu N1 24.7(2) . . ?
N14 Cu4 O13 89.7(3) . . ?
N14 Cu4 O23 174.6(3) . . ?
O13 Cu4 O23 85.8(2) . . ?
N14 Cu4 N24 81.0(3) . . ?
O13 Cu4 N24 170.6(3) . . ?
O23 Cu4 N24 103.6(3) . . ?
N15 Cu5 O14 90.9(2) . . ?
N15 Cu5 O24 169.8(3) . . ?
O14 Cu5 O24 85.6(2) . . ?
N15 Cu5 N25 81.5(3) . . ?
O14 Cu5 N25 171.6(3) . . ?
O24 Cu5 N25 102.5(3) . . ?
N12 Cu2 O11 89.8(3) . . ?
N12 Cu2 O21 171.4(3) . . ?
O11 Cu2 O21 84.9(3) . . ?
N12 Cu2 N22 81.2(3) . . ?
O11 Cu2 N22 170.9(3) . . ?
O21 Cu2 N22 104.2(3) . . ?
N13 Cu3 O12 92.1(3) . . ?
N13 Cu3 O22 174.7(3) . . ?
O12 Cu3 O22 84.6(2) . . ?
N13 Cu3 N23 81.5(3) . . ?
O12 Cu3 N23 173.5(2) . . ?
O22 Cu3 N23 101.5(3) . . ?
N11 Cu1 O15 91.0(3) . . ?
N11 Cu1 O25 173.7(3) . . ?
O15 Cu1 O25 85.3(2) . . ?
N11 Cu1 N21 83.1(3) . . ?
O15 Cu1 N21 169.3(3) . . ?
O25 Cu1 N21 101.3(3) . . ?
O1 N1 O2 117.0(9) . . ?
O1 N1 O3 120.1(9) . . ?
O2 N1 O3 122.9(9) . . ?
O1 N1 Eu 57.4(5) . . ?
O2 N1 Eu 59.7(5) . . ?
O3 N1 Eu 177.1(8) . . ?
N1 O1 Eu 98.0(6) . . ?
N1 O2 Eu 95.6(6) . . ?
O5 N2 O4 121.7(12) . . ?
O5 N2 O6 119.5(15) . . ?
O4 N2 O6 118.7(14) . . ?
N11 O11 Cu2 109.5(5) . . ?
N11 O11 Eu 123.0(5) . . ?
Cu2 O11 Eu 127.5(3) . . ?
C11 O21 Cu2 107.9(5) . . ?
N11 C11 O21 122.5(8) . . ?
N11 C11 C21 115.9(8) . . ?
O21 C11 C21 121.6(8) . . ?
C11 N11 O11 115.2(7) . . ?
C11 N11 Cu1 118.0(6) . . ?
O11 N11 Cu1 125.9(6) . . ?
C21 N21 Cu1 111.6(6) . . ?
N21 C21 C11 108.2(8) . . ?
N21 C21 C31 114.5(9) . . ?
C11 C21 C31 110.7(9) . . ?
C41 C31 C21 118.8(10) . . ?
C51 C41 C91 117.6(12) . . ?
C51 C41 C31 119.9(12) . . ?
C91 C41 C31 122.4(13) . . ?
C41 C91 C81 118.0(13) . . ?
C71 C81 C91 121.7(12) . . ?
C51 C61 C71 123.3(15) . . ?
C61 C71 C81 117.2(13) . . ?
C61 C51 C41 122.2(14) . . ?
N12 O12 Cu3 109.7(4) . . ?
N12 O12 Eu 124.4(4) . . ?
Cu3 O12 Eu 123.3(2) . . ?
C12 N12 O12 113.9(7) . . ?
C12 N12 Cu2 117.1(6) . . ?
O12 N12 Cu2 126.1(5) . . ?
O22 C12 N12 125.1(8) . . ?
O22 C12 C22 119.1(8) . . ?
N12 C12 C22 115.8(8) . . ?
C12 O22 Cu3 106.6(5) . . ?
C82 C92 C42 123.4(12) . . ?
C42 C32 C22 114.3(7) . . ?
N22 C22 C12 107.0(7) . . ?
N22 C22 C32 110.6(7) . . ?
C12 C22 C32 110.4(7) . . ?
C52 C42 C92 117.1(9) . . ?
C52 C42 C32 122.3(10) . . ?
C92 C42 C32 120.6(10) . . ?
C22 N22 Cu2 107.8(5) . . ?
C92 C82 C72 115.9(13) . . ?
C62 C72 C82 122.4(12) . . ?
C72 C62 C52 121.1(13) . . ?
C42 C52 C62 120.1(11) . . ?
N13 O13 Cu4 108.5(4) . . ?
N13 O13 Eu 122.9(4) . . ?
Cu4 O13 Eu 128.5(2) . . ?
C13 N13 O13 113.9(7) . . ?
C13 N13 Cu3 118.5(5) . . ?
O13 N13 Cu3 124.2(5) . . ?
N13 C13 O23 126.1(7) . . ?
N13 C13 C23 114.6(8) . . ?
O23 C13 C23 119.2(7) . . ?
C13 O23 Cu4 105.6(5) . . ?
C23 N23 Cu3 109.1(5) . . ?
N23 C23 C13 108.6(6) . . ?
N23 C23 C33 112.1(7) . . ?
C13 C23 C33 113.7(7) . . ?
C93 C43 C53 119.8(11) . . ?
C93 C43 C33 121.5(11) . . ?
C53 C43 C33 118.7(11) . . ?
C43 C33 C23 111.1(7) . . ?
C43 C53 C63 119.0(16) . . ?
C43 C93 C83 120.0(14) . . ?
C73 C83 C93 118.4(18) . . ?
C83 C73 C63 123(2) . . ?
C73 C63 C53 119(2) . . ?
O24 C14 N14 123.1(7) . . ?
O24 C14 C24 121.9(7) . . ?
N14 C14 C24 114.9(7) . . ?
N14 O14 Cu5 107.3(4) . . ?
N14 O14 Eu 124.9(4) . . ?
Cu5 O14 Eu 126.5(2) . . ?
C14 O24 Cu5 107.7(5) . . ?
C14 N14 O14 115.8(6) . . ?
C14 N14 Cu4 117.9(6) . . ?
O14 N14 Cu4 125.1(5) . . ?
C44 C34 C24 112.4(7) . . ?
C54 C44 C94 117.8(11) . . ?
C54 C44 C34 121.1(10) . . ?
C94 C44 C34 120.9(10) . . ?
C24 N24 Cu4 108.4(5) . . ?
N24 C24 C14 107.3(7) . . ?
N24 C24 C34 111.7(7) . . ?
C14 C24 C34 109.7(7) . . ?
C84 C94 C44 125.2(16) . . ?
C44 C54 C64 117.5(13) . . ?
C74 C64 C54 116.2(17) . . ?
C84 C74 C64 126(2) . . ?
C74 C84 C94 117(2) . . ?
N15 O15 Cu1 109.4(4) . . ?
N15 O15 Eu 121.7(4) . . ?
Cu1 O15 Eu 124.2(2) . . ?
C15 O25 Cu1 107.1(5) . . ?
N25 C25 C35 112.9(7) . . ?
N25 C25 C15 108.1(6) . . ?
C35 C25 C15 109.9(7) . . ?
C15 N15 O15 112.7(7) . . ?
C15 N15 Cu5 120.3(6) . . ?
O15 N15 Cu5 126.6(4) . . ?
O25 C15 N15 125.5(8) . . ?
O25 C15 C25 121.0(7) . . ?
N15 C15 C25 113.5(8) . . ?
C45 C35 C25 115.3(6) . . ?
C25 N25 Cu5 112.5(5) . . ?
C95 C45 C55 115.6(9) . . ?
C95 C45 C35 123.3(9) . . ?
C55 C45 C35 121.1(8) . . ?
C75 C65 C55 120.2(10) . . ?
C45 C95 C85 124.8(12) . . ?
C65 C55 C45 121.7(10) . . ?
C65 C75 C85 120.8(10) . . ?
C75 C85 C95 116.7(12) . . ?
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
Eu O11 2.395(6) . ?
Eu O13 2.398(5) . ?
Eu O16 2.404(7) . ?
Eu O12 2.405(5) . ?
Eu O14 2.405(5) . ?
Eu O15 2.460(5) . ?
Eu O1 2.460(7) . ?
Eu O2 2.508(7) . ?
Eu N1 2.892(9) . ?
Cu4 N14 1.895(6) . ?
Cu4 O13 1.918(5) . ?
Cu4 O23 1.943(5) . ?
Cu4 N24 2.001(7) . ?
Cu5 N15 1.882(7) . ?
Cu5 O14 1.921(5) . ?
Cu5 O24 1.929(5) . ?
Cu5 N25 1.993(6) . ?
Cu2 N12 1.901(7) . ?
Cu2 O11 1.923(6) . ?
Cu2 O21 1.943(7) . ?
Cu2 N22 2.025(7) . ?
Cu3 N13 1.897(7) . ?
Cu3 O12 1.938(5) . ?
Cu3 O22 1.946(6) . ?
Cu3 N23 2.009(6) . ?
Cu1 N11 1.873(7) . ?
Cu1 O15 1.893(5) . ?
Cu1 O25 1.898(6) . ?
Cu1 N21 1.994(8) . ?
N1 O1 1.216(10) . ?
N1 O2 1.216(10) . ?
N1 O3 1.238(10) . ?
N2 O5 1.214(14) . ?
N2 O4 1.240(14) . ?
N2 O6 1.253(13) . ?
O11 N11 1.397(9) . ?
O21 C11 1.325(10) . ?
C11 N11 1.299(11) . ?
C11 C21 1.495(13) . ?
N21 C21 1.464(12) . ?
C21 C31 1.519(14) . ?
C31 C41 1.493(15) . ?
C41 C51 1.360(18) . ?
C41 C91 1.401(15) . ?
C91 C81 1.410(17) . ?
C81 C71 1.366(18) . ?
C61 C51 1.328(18) . ?
C61 C71 1.340(18) . ?
O12 N12 1.372(8) . ?
N12 C12 1.303(10) . ?
C12 O22 1.300(10) . ?
C12 C22 1.519(12) . ?
C92 C82 1.371(15) . ?
C92 C42 1.386(14) . ?
C32 C42 1.501(12) . ?
C32 C22 1.529(12) . ?
C22 N22 1.503(10) . ?
C42 C52 1.375(15) . ?
C82 C72 1.40(2) . ?
C72 C62 1.307(19) . ?
C62 C52 1.379(16) . ?
O13 N13 1.394(8) . ?
N13 C13 1.290(10) . ?
C13 O23 1.293(10) . ?
C13 C23 1.524(11) . ?
N23 C23 1.483(11) . ?
C23 C33 1.534(11) . ?
C43 C93 1.328(15) . ?
C43 C53 1.400(17) . ?
C43 C33 1.508(12) . ?
C53 C63 1.414(19) . ?
C93 C83 1.456(18) . ?
C83 C73 1.32(3) . ?
C73 C63 1.33(3) . ?
C14 O24 1.288(9) . ?
C14 N14 1.295(10) . ?
C14 C24 1.501(12) . ?
O14 N14 1.399(8) . ?
C34 C44 1.509(13) . ?
C34 C24 1.543(12) . ?
C44 C54 1.381(14) . ?
C44 C94 1.395(13) . ?
N24 C24 1.474(11) . ?
C94 C84 1.308(19) . ?
C54 C64 1.451(18) . ?
C64 C74 1.39(3) . ?
C74 C84 1.29(3) . ?
O15 N15 1.385(8) . ?
O25 C15 1.273(11) . ?
C25 N25 1.441(10) . ?
C25 C35 1.541(11) . ?
C25 C15 1.558(12) . ?
N15 C15 1.285(10) . ?
C35 C45 1.506(12) . ?
C45 C95 1.356(14) . ?
C45 C55 1.398(13) . ?
C65 C75 1.353(14) . ?
C65 C55 1.374(13) . ?
C95 C85 1.391(15) . ?
C75 C85 1.383(16) . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O16 H1 O5W 0.97(2) 2.10(9) 2.82(3) 130(9) 4_664
N21 H21A O9W 0.90 2.29 3.10(2) 150.2 3_655
N25 H25A O4 0.90 2.50 3.115(12) 126.3 4_664
N25 H25B O5 0.90 2.47 3.123(13) 130.1 4_664
N24 H24B O11W 0.90 2.41 3.15(6) 139.6 2_654
N24 H24A O1W 0.90 2.62 3.268(12) 130.1 4_664
N22 H22B O7W 0.90 2.34 3.09(3) 139.7 2_655
N23 H23B O4 0.90 2.18 3.011(12) 153.8 .
N23 H23A O24 0.90 1.96 2.840(8) 167.4 3_645
