#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:05:20 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180489 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/58/7215833.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_7215833
loop_
_publ_author_name
'Fang, Wei-Hui'
'Yang, Guo-Yu'
_publ_section_title
;
 Bilayer architecture based on hexanuclear heterometal cluster units
;
_journal_issue                   29
_journal_name_full               CrystEngComm
_journal_page_first              6790
_journal_paper_doi               10.1039/c4ce00747f
_journal_volume                  16
_journal_year                    2014
_chemical_formula_sum            'C48 H42 Cl2 Cu3 Eu N4 O22'
_chemical_formula_weight         1440.34
_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                108.495(5)
_cell_angle_beta                 117.49
_cell_angle_gamma                96.862(6)
_cell_formula_units_Z            2
_cell_length_a                   15.026(9)
_cell_length_b                   15.473(9)
_cell_length_c                   15.512(9)
_cell_measurement_reflns_used    6440
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.3910
_cell_measurement_theta_min      2.0195
_cell_volume                     2879(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 0.967
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measurement_device_type  'SCX mini'
_diffrn_measurement_method       CCD_Profile_fitting
_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  0.0651
_diffrn_reflns_av_sigmaI/netI    0.1115
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            18482
_diffrn_reflns_theta_full        25.10
_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         2.59
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    2.339
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.5773
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.662
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1436
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.920
_refine_diff_density_min         -3.919
_refine_diff_density_rms         0.170
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     740
_refine_ls_number_reflns         9913
_refine_ls_number_restraints     53
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.1172
_refine_ls_R_factor_gt           0.0882
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1282P)²+5.2450P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2165
_refine_ls_wR_factor_ref         0.2465
_reflns_number_gt                6934
_reflns_number_total             9913
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ce00747f1.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/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 

 Adding full bibliography for 7215833.cif.
;
_cod_original_sg_symbol_H-M      p-1
_cod_database_code               7215833
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_group
Eu Eu 0.84291(4) 0.51077(4) 0.97134(4) 0.0396(2) Uani 1 1 d . .
Cu1 Cu 0.65603(11) 0.27427(8) 0.80407(10) 0.0405(3) Uani 1 1 d . .
Cu2 Cu 0.65562(10) 0.39146(8) 0.68636(9) 0.0393(3) Uani 1 1 d . .
Cu3 Cu 0.9727(3) 0.0805(3) 1.5737(3) 0.0741(10) Uani 0.50 1 d P .
Cu3' Cu 0.9933(5) 0.1673(6) 1.6652(6) 0.147(3) Uani 0.50 1 d P .
Cl1 Cl 0.3841(4) 0.2748(4) 0.6055(4) 0.1102(16) Uani 1 1 d D .
Cl2 Cl 0.6151(11) -0.0210(13) 1.1037(11) 0.398(13) Uani 1 1 d D .
C1 C 0.6875(8) 0.5958(8) 0.7954(9) 0.042(2) Uani 1 1 d . .
C2 C 0.6593(12) 0.8451(9) 0.8606(10) 0.067(4) Uani 1 1 d . .
H2A H 0.6552 0.8915 0.9129 0.080 Uiso 1 1 calc R .
C3 C 0.6713(10) 0.7582(8) 0.8674(9) 0.053(3) Uani 1 1 d . .
H3A H 0.6780 0.7483 0.9259 0.064 Uiso 1 1 calc R .
C4 C 0.6732(8) 0.6877(7) 0.7877(8) 0.041(2) Uani 1 1 d . .
C5 C 0.6593(9) 0.7031(8) 0.6984(9) 0.049(3) Uani 1 1 d . .
H5A H 0.6552 0.6542 0.6418 0.059 Uiso 1 1 calc R .
C6 C 0.6517(9) 0.7885(8) 0.6934(9) 0.052(3) Uani 1 1 d . .
H6A H 0.6454 0.7983 0.6350 0.062 Uiso 1 1 calc R .
C7 C 0.6535(10) 0.8609(8) 0.7755(10) 0.056(3) Uani 1 1 d . .
C8 C 0.5839(10) 1.0903(8) 0.8054(11) 0.058(3) Uani 1 1 d . .
H8A H 0.5448 1.1207 0.8296 0.070 Uiso 1 1 calc R .
C9 C 0.5809(11) 1.0016(8) 0.7997(11) 0.063(3) Uani 1 1 d . .
H9A H 0.5360 0.9708 0.8142 0.076 Uiso 1 1 calc R .
C10 C 0.6445(9) 0.9546(7) 0.7721(9) 0.048(3) Uani 1 1 d . .
C11 C 0.7033(10) 1.0034(8) 0.7405(10) 0.057(3) Uani 1 1 d . .
H11A H 0.7429 0.9745 0.7159 0.068 Uiso 1 1 calc R .
C12 C 0.7000(10) 1.0933(7) 0.7472(10) 0.051(3) Uani 1 1 d . .
H12A H 0.7406 1.1256 0.7295 0.061 Uiso 1 1 calc R .
C13 C 0.6837(9) 0.3688(9) 1.0123(9) 0.046(3) Uani 1 1 d . .
C14 C 0.6775(11) 0.4459(9) 1.2667(10) 0.057(3) Uani 1 1 d . .
H14A H 0.6896 0.5027 1.3209 0.069 Uiso 1 1 calc R .
C15 C 0.6907(10) 0.4492(8) 1.1847(8) 0.054(3) Uani 1 1 d . .
H15A H 0.7128 0.5084 1.1856 0.064 Uiso 1 1 calc R .
C16 C 0.6710(9) 0.3649(8) 1.1010(9) 0.047(3) Uani 1 1 d . .
C17 C 0.6347(12) 0.2793(9) 1.1024(10) 0.065(4) Uani 1 1 d . .
H17A H 0.6143 0.2226 1.0437 0.078 Uiso 1 1 calc R .
C18 C 0.6272(11) 0.2732(8) 1.1828(10) 0.062(3) Uani 1 1 d . .
H18A H 0.6094 0.2138 1.1834 0.075 Uiso 1 1 calc R .
C19 C 0.6471(9) 0.3602(8) 1.2686(8) 0.046(3) Uani 1 1 d . .
C20 C 0.5999(10) 0.4251(8) 1.4953(8) 0.051(3) Uani 1 1 d . .
H20A H 0.5710 0.4677 1.5226 0.061 Uiso 1 1 calc R .
C21 C 0.6005(9) 0.4216(8) 1.4069(8) 0.045(3) Uani 1 1 d . .
H21A H 0.5733 0.4628 1.3770 0.054 Uiso 1 1 calc R .
C22 C 0.6396(9) 0.3595(8) 1.3601(8) 0.044(2) Uani 1 1 d . .
C23 C 0.6744(11) 0.2964(9) 1.4088(10) 0.062(3) Uani 1 1 d . .
H23A H 0.6955 0.2481 1.3773 0.075 Uiso 1 1 calc R .
C24 C 0.6774(11) 0.3049(8) 1.5003(9) 0.056(3) Uani 1 1 d . .
H24A H 0.7059 0.2660 1.5335 0.067 Uiso 1 1 calc R .
C25 C 1.0646(8) 0.5094(8) 1.1928(8) 0.041(2) Uani 1 1 d . .
C26 C 0.9696(11) 0.4541(12) 1.2739(13) 0.076(4) Uani 1 1 d . .
H26A H 0.9193 0.4820 1.2428 0.091 Uiso 1 1 calc R .
C27 C 0.9545(10) 0.4026(12) 1.3257(13) 0.079(5) Uani 1 1 d . .
H27A H 0.8909 0.3900 1.3229 0.095 Uiso 1 1 calc R .
C28 C 1.0343(12) 0.3688(12) 1.3831(13) 0.078(4) Uani 1 1 d . .
C29 C 1.1231(10) 0.3822(10) 1.3771(11) 0.064(4) Uani 1 1 d . .
H29A H 1.1753 0.3568 1.4104 0.077 Uiso 1 1 calc R .
C30 C 1.1357(10) 0.4316(9) 1.3238(10) 0.057(3) Uani 1 1 d . .
H30A H 1.1987 0.4433 1.3255 0.069 Uiso 1 1 calc R .
C31 C 1.0579(8) 0.4655(8) 1.2666(9) 0.045(2) Uani 1 1 d . .
C32' C 1.076(3) 0.220(2) 1.546(3) 0.14(2) Uiso 0.50 1 d PG 1
H32A H 1.1119 0.1763 1.5586 0.174 Uiso 0.50 1 calc PR 1
C33' C 1.087(3) 0.268(3) 1.488(3) 0.16(3) Uani 0.50 1 d PG 1
H33A H 1.1306 0.2565 1.4615 0.198 Uiso 0.50 1 calc PR 1
C34' C 1.032(3) 0.333(2) 1.469(2) 0.074(11) Uani 0.50 1 d PG 1
C35' C 0.967(2) 0.3503(18) 1.509(2) 0.113(14) Uani 0.50 1 d PGU 1
H35A H 0.9305 0.3939 1.4962 0.136 Uiso 0.50 1 calc PR 1
C36' C 0.9556(19) 0.302(2) 1.5669(19) 0.102(12) Uani 0.50 1 d PG 1
H36A H 0.9117 0.3137 1.5933 0.122 Uiso 0.50 1 calc PR 1
N3' N 1.010(2) 0.2370(19) 1.586(2) 0.110(12) Uani 0.50 1 d PG 1
C32 C 1.0791(12) 0.2501(17) 1.5665(13) 0.077(11) Uani 0.50 1 d PG 2
H32B H 1.1342 0.2579 1.6325 0.093 Uiso 0.50 1 calc PR 2
C33 C 1.0924(13) 0.3107(17) 1.5207(17) 0.088(13) Uani 0.50 1 d PG 2
H33B H 1.1565 0.3589 1.5561 0.106 Uiso 0.50 1 calc PR 2
C34 C 1.0101(16) 0.2991(14) 1.4219(16) 0.054(9) Uani 0.50 1 d PG 2
C35 C 0.9144(13) 0.2270(13) 1.3690(12) 0.069(8) Uani 0.50 1 d PG 2
H35B H 0.8594 0.2193 1.3030 0.083 Uiso 0.50 1 calc PR 2
C36 C 0.9011(12) 0.1665(13) 1.4148(14) 0.106(13) Uani 0.50 1 d PG 2
H36B H 0.8370 0.1182 1.3794 0.127 Uiso 0.50 1 calc PR 2
N3 N 0.9834(14) 0.1780(14) 1.5136(14) 0.066(7) Uani 0.50 1 d PG 2
C37 C 1.0653(9) 0.6782(7) 1.0255(7) 0.039(2) Uani 1 1 d . .
C38 C 0.9631(12) 0.8452(13) 0.9022(14) 0.088(5) Uani 1 1 d . .
H38A H 0.9036 0.8653 0.8809 0.106 Uiso 1 1 calc R .
C39 C 0.9723(11) 0.7837(11) 0.9506(13) 0.078(5) Uani 1 1 d . .
H39A H 0.9196 0.7631 0.9620 0.093 Uiso 1 1 calc R .
C40 C 1.0610(9) 0.7518(8) 0.9831(9) 0.048(3) Uani 1 1 d . .
C41 C 1.1371(10) 0.7897(9) 0.9689(10) 0.058(3) Uani 1 1 d . .
H41A H 1.1986 0.7727 0.9932 0.070 Uiso 1 1 calc R .
C42 C 1.1286(11) 0.8512(9) 0.9212(10) 0.062(3) Uani 1 1 d . .
H42A H 1.1836 0.8747 0.9140 0.075 Uiso 1 1 calc R .
C43 C 1.0401(10) 0.8786(10) 0.8838(10) 0.062(3) Uani 1 1 d . .
C44 C 1.0897(11) 1.0556(11) 0.7776(14) 0.068(7) Uani 0.50 1 d PGU 1
H44A H 1.1443 1.1076 0.7979 0.081 Uiso 0.50 1 calc PR 1
C45 C 1.1043(11) 1.0081(13) 0.8433(12) 0.074(8) Uani 0.50 1 d PG 1
H45A H 1.1686 1.0284 0.9074 0.088 Uiso 0.50 1 calc PR 1
C46 C 1.0226(13) 0.9302(13) 0.8130(13) 0.069(11) Uani 0.50 1 d PG 1
C47 C 0.9265(11) 0.8999(11) 0.7171(13) 0.059(6) Uani 0.50 1 d PG 1
H47A H 0.8719 0.8478 0.6968 0.071 Uiso 0.50 1 calc PR 1
C48 C 0.9120(10) 0.9473(12) 0.6514(10) 0.056(6) Uani 0.50 1 d PG 1
H48A H 0.8476 0.9270 0.5872 0.068 Uiso 0.50 1 calc PR 1
N4 N 0.9936(12) 1.0252(12) 0.6817(12) 0.072(7) Uani 0.50 1 d PG 1
C44' C 1.056(3) 1.010(3) 0.727(3) 0.15(2) Uiso 0.50 1 d PG 2
H44B H 1.0846 1.0063 0.6846 0.178 Uiso 0.50 1 calc PR 2
C45' C 1.058(2) 0.944(2) 0.770(3) 0.144(18) Uiso 0.50 1 d PG 2
H45B H 1.0867 0.8952 0.7562 0.173 Uiso 0.50 1 calc PR 2
C46' C 1.015(2) 0.9498(17) 0.834(2) 0.078(13) Uiso 0.50 1 d PG 2
C47' C 0.972(2) 1.022(2) 0.855(2) 0.093(10) Uiso 0.50 1 d PG 2
H47B H 0.9438 1.0264 0.8982 0.112 Uiso 0.50 1 calc PR 2
C48' C 0.971(2) 1.0889(18) 0.812(3) 0.134(16) Uiso 0.50 1 d PG 2
H48B H 0.9417 1.1374 0.8265 0.161 Uiso 0.50 1 calc PR 2
N4' N 1.013(3) 1.083(2) 0.748(3) 0.171(19) Uiso 0.50 1 d PG 2
N1 N 0.6400(7) 1.1378(6) 0.7784(7) 0.045(2) Uani 1 1 d . .
N2 N 0.6388(7) 0.3702(6) 1.5442(7) 0.045(2) Uani 1 1 d . .
O1 O 0.7423(6) 0.6012(5) 0.8892(6) 0.0474(18) Uani 1 1 d . .
O2 O 0.6431(6) 0.5210(5) 0.7082(5) 0.0414(17) Uani 1 1 d . .
O3 O 0.6392(6) 0.2953(5) 0.9275(6) 0.0457(18) Uani 1 1 d . .
O4 O 0.7441(6) 0.4497(6) 1.0361(6) 0.0504(19) Uani 1 1 d . .
O5 O 0.9837(6) 0.5240(6) 1.1350(6) 0.056(2) Uani 1 1 d . .
O6 O 1.1496(6) 0.5237(5) 1.1924(6) 0.0486(19) Uani 1 1 d . .
O7 O 0.9836(6) 0.6409(6) 1.0202(6) 0.054(2) Uani 1 1 d . .
O8 O 1.1489(6) 0.6541(5) 1.0618(6) 0.0456(17) Uani 1 1 d . .
O9 O 0.6706(6) 0.2658(5) 0.6834(6) 0.0478(18) Uani 1 1 d . .
H0B H 0.6818 0.2197 0.6405 0.057 Uiso 1 1 d R .
O10 O 0.6705(5) 0.4054(4) 0.8213(5) 0.0366(15) Uani 1 1 d . .
H0A H 0.6151 0.4257 0.8277 0.044 Uiso 1 1 d R .
O11 O 0.3440(19) 0.3368(16) 0.6600(18) 0.268(13) Uiso 1 1 d D .
O12 O 0.2986(13) 0.2019(12) 0.5046(11) 0.222(10) Uiso 1 1 d D .
O13 O 0.454(2) 0.332(2) 0.590(3) 0.23(4) Uiso 0.50 1 d PD .
O13' O 0.445(2) 0.337(3) 0.592(3) 0.14(2) Uani 0.50 1 d PU .
O14 O 0.443(2) 0.232(2) 0.6750(18) 0.13(2) Uani 0.50 1 d PD .
O14' O 0.435(3) 0.225(3) 0.659(4) 0.17(3) Uani 0.50 1 d PU .
O15 O 0.5017(15) -0.062(4) 1.039(3) 0.87(9) Uiso 1 1 d D .
O16 O 0.650(3) 0.036(2) 1.061(2) 0.332(17) Uiso 1 1 d D .
O17 O 0.663(5) -0.097(3) 1.104(4) 0.78(9) Uiso 1 1 d D .
O18 O 0.647(3) 0.039(2) 1.2122(16) 0.337(19) Uiso 1 1 d D .
O1W O 0.8465(8) 0.6499(6) 1.1120(7) 0.076(3) Uani 1 1 d . .
H1WC H 0.8496 0.6986 1.0980 0.091 Uiso 1 1 d R .
H1WA H 0.9004 0.6626 1.1728 0.091 Uiso 1 1 d R .
O2W O 0.5478(6) 0.0856(6) 0.4973(6) 0.050 Uiso 1 1 d D .
H21 H 0.491(5) 0.082(8) 0.494(10) 0.075 Uiso 1 1 d D .
H22 H 0.562(8) 0.132(6) 0.484(10) 0.075 Uiso 1 1 d D .
O3W O 0.5256(15) 0.4762(11) 0.8709(13) 0.135(5) Uiso 1 1 d D .
H31 H 0.53(2) 0.528(9) 0.866(19) 0.203 Uiso 1 1 d D .
H32 H 0.53(2) 0.485(17) 0.928(11) 0.203 Uiso 1 1 d D .
O4W O 0.8786(8) 0.2584(8) 1.7265(9) 0.079(3) Uiso 1 1 d D .
H41 H 0.897(11) 0.216(7) 1.696(12) 0.118 Uiso 1 1 d D .
H42 H 0.923(9) 0.311(4) 1.752(13) 0.118 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'
Cl Cl 0.1484 0.1585 '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
O5 Eu O7 76.0(3) . .
O5 Eu O1 142.7(3) . .
O7 Eu O1 80.7(3) . .
O5 Eu O4 80.4(3) . .
O7 Eu O4 143.3(3) . .
O1 Eu O4 102.9(3) . .
O5 Eu O10 141.9(2) . .
O7 Eu O10 140.8(2) . .
O1 Eu O10 70.1(2) . .
O4 Eu O10 70.8(2) . .
O5 Eu O8 74.9(3) . 2_767
O7 Eu O8 123.7(3) . 2_767
O1 Eu O8 142.3(2) . 2_767
O4 Eu O8 75.1(3) . 2_767
O10 Eu O8 74.0(2) . 2_767
O5 Eu O6 123.6(3) . 2_767
O7 Eu O6 74.9(3) . 2_767
O1 Eu O6 76.3(3) . 2_767
O4 Eu O6 141.8(3) . 2_767
O10 Eu O6 73.3(2) . 2_767
O8 Eu O6 82.9(2) 2_767 2_767
O5 Eu O1W 75.5(3) . .
O7 Eu O1W 75.5(3) . .
O1 Eu O1W 70.6(3) . .
O4 Eu O1W 71.5(3) . .
O10 Eu O1W 116.2(3) . .
O8 Eu O1W 138.3(3) 2_767 .
O6 Eu O1W 138.4(3) 2_767 .
O5 Eu Cu1 113.3(2) . .
O7 Eu Cu1 153.8(2) . .
O1 Eu Cu1 100.42(18) . .
O4 Eu Cu1 62.46(18) . .
O10 Eu Cu1 30.37(14) . .
O8 Eu Cu1 44.43(18) 2_767 .
O6 Eu Cu1 79.94(18) 2_767 .
O1W Eu Cu1 129.9(2) . .
O5 Eu Cu2 153.9(2) . .
O7 Eu Cu2 112.76(19) . .
O1 Eu Cu2 62.97(17) . .
O4 Eu Cu2 100.83(19) . .
O10 Eu Cu2 30.01(15) . .
O8 Eu Cu2 80.21(17) 2_767 .
O6 Eu Cu2 43.97(19) 2_767 .
O1W Eu Cu2 130.0(2) . .
Cu1 Eu Cu2 48.56(3) . .
O5 Eu Eu 55.5(2) . 2_767
O7 Eu Eu 55.9(2) . 2_767
O1 Eu Eu 129.1(2) . 2_767
O4 Eu Eu 127.7(2) . 2_767
O10 Eu Eu 127.85(16) . 2_767
O8 Eu Eu 67.80(18) 2_767 2_767
O6 Eu Eu 68.11(18) 2_767 2_767
O1W Eu Eu 115.9(2) . 2_767
Cu1 Eu Eu 107.62(4) . 2_767
Cu2 Eu Eu 107.51(4) . 2_767
O10 Cu1 O9 80.7(3) . .
O10 Cu1 O3 93.8(3) . .
O9 Cu1 O3 174.3(3) . .
O10 Cu1 N1 176.8(3) . 1_545
O9 Cu1 N1 96.2(3) . 1_545
O3 Cu1 N1 89.3(3) . 1_545
O10 Cu1 Cu2 40.29(19) . .
O9 Cu1 Cu2 41.5(2) . .
O3 Cu1 Cu2 132.9(2) . .
N1 Cu1 Cu2 136.5(3) 1_545 .
O10 Cu1 Eu 39.1(2) . .
O9 Cu1 Eu 92.7(2) . .
O3 Cu1 Eu 83.6(2) . .
N1 Cu1 Eu 142.4(3) 1_545 .
Cu2 Cu1 Eu 66.12(5) . .
O10 Cu2 O2 92.4(3) . .
O10 Cu2 O9 80.0(3) . .
O2 Cu2 O9 172.4(3) . .
O10 Cu2 N2 177.3(3) . 1_554
O2 Cu2 N2 90.3(3) . 1_554
O9 Cu2 N2 97.3(3) . 1_554
O10 Cu2 Cu1 40.19(18) . .
O2 Cu2 Cu1 131.7(2) . .
O9 Cu2 Cu1 40.9(2) . .
N2 Cu2 Cu1 137.1(3) 1_554 .
O10 Cu2 Eu 38.5(2) . .
O2 Cu2 Eu 82.2(2) . .
O9 Cu2 Eu 91.6(2) . .
N2 Cu2 Eu 142.8(3) 1_554 .
Cu1 Cu2 Eu 65.32(5) . .
Cu3' Cu3 N4 80(8) . 1_546
Cu3' Cu3 N3 82.1(7) . .
N4 Cu3 N3 160(7) 1_546 .
Cu3' Cu3 N3' 56.0(7) . .
N4 Cu3 N3' 134(7) 1_546 .
N3 Cu3 N3' 26.4(7) . .
Cu3' Cu3 N4' 56(9) . 1_546
N4 Cu3 N4' 23(10) 1_546 1_546
N3 Cu3 N4' 137(8) . 1_546
N3' Cu3 N4' 111(8) . 1_546
Cu3 Cu3' N3' 85.0(9) . .
Cu3 Cu3' N4' 87(10) . 1_546
N3' Cu3' N4' 163(10) . 1_546
Cu3 Cu3' N4 61(6) . 1_546
N3' Cu3' N4 143(6) . 1_546
N4' Cu3' N4 26(10) 1_546 1_546
Cu3 Cu3' N3 59.2(5) . .
N3' Cu3' N3 26.2(9) . .
N4' Cu3' N3 145(10) 1_546 .
N4 Cu3' N3 119(6) 1_546 .
Cu3 Cu3' H41 130(4) . .
N3' Cu3' H41 102(5) . .
N4' Cu3' H41 95(10) 1_546 .
N4 Cu3' H41 110(8) 1_546 .
N3 Cu3' H41 113(5) . .
O14' Cl1 O13' 115(2) . .
O14' Cl1 O12 104(2) . .
O13' Cl1 O12 111.3(18) . .
O14' Cl1 O13 110(3) . .
O12 Cl1 O13 110.6(13) . .
O14' Cl1 O11 113(3) . .
O13' Cl1 O11 103(2) . .
O12 Cl1 O11 110.4(11) . .
O13 Cl1 O11 109.2(13) . .
O13' Cl1 O14 115(2) . .
O12 Cl1 O14 110.5(12) . .
O13 Cl1 O14 109.4(13) . .
O11 Cl1 O14 106.7(12) . .
O16 Cl2 O17 109.5(14) . .
O16 Cl2 O15 109.8(14) . .
O17 Cl2 O15 109.4(14) . .
O16 Cl2 O18 109.6(13) . .
O17 Cl2 O18 109.4(14) . .
O15 Cl2 O18 109.1(14) . .
O1 C1 O2 126.9(9) . .
O1 C1 C4 116.1(10) . .
O2 C1 C4 117.0(9) . .
C7 C2 C3 119.6(12) . .
C7 C2 H2A 120.2 . .
C3 C2 H2A 120.2 . .
C4 C3 C2 120.3(10) . .
C4 C3 H3A 119.8 . .
C2 C3 H3A 119.8 . .
C3 C4 C5 118.7(10) . .
C3 C4 C1 120.5(10) . .
C5 C4 C1 120.8(10) . .
C6 C5 C4 121.1(11) . .
C6 C5 H5A 119.5 . .
C4 C5 H5A 119.5 . .
C5 C6 C7 120.1(11) . .
C5 C6 H6A 119.9 . .
C7 C6 H6A 119.9 . .
C2 C7 C6 119.9(11) . .
C2 C7 C10 118.6(11) . .
C6 C7 C10 121.5(11) . .
C9 C8 N1 124.0(11) . .
C9 C8 H8A 118.0 . .
N1 C8 H8A 118.0 . .
C8 C9 C10 120.9(12) . .
C8 C9 H9A 119.5 . .
C10 C9 H9A 119.5 . .
C9 C10 C11 115.7(10) . .
C9 C10 C7 123.6(11) . .
C11 C10 C7 120.7(10) . .
C12 C11 C10 118.9(10) . .
C12 C11 H11A 120.6 . .
C10 C11 H11A 120.6 . .
N1 C12 C11 123.2(10) . .
N1 C12 H12A 118.4 . .
C11 C12 H12A 118.4 . .
O3 C13 O4 127.6(10) . .
O3 C13 C16 118.0(10) . .
O4 C13 C16 114.3(10) . .
C19 C14 C15 120.7(11) . .
C19 C14 H14A 119.6 . .
C15 C14 H14A 119.6 . .
C14 C15 C16 120.9(11) . .
C14 C15 H15A 119.5 . .
C16 C15 H15A 119.5 . .
C17 C16 C15 116.8(10) . .
C17 C16 C13 122.4(10) . .
C15 C16 C13 120.8(10) . .
C18 C17 C16 124.0(11) . .
C18 C17 H17A 118.0 . .
C16 C17 H17A 118.0 . .
C17 C18 C19 118.8(11) . .
C17 C18 H18A 120.6 . .
C19 C18 H18A 120.6 . .
C14 C19 C18 118.5(10) . .
C14 C19 C22 119.3(10) . .
C18 C19 C22 122.1(10) . .
N2 C20 C21 122.7(10) . .
N2 C20 H20A 118.6 . .
C21 C20 H20A 118.6 . .
C20 C21 C22 122.5(10) . .
C20 C21 H21A 118.8 . .
C22 C21 H21A 118.8 . .
C21 C22 C23 114.3(10) . .
C21 C22 C19 122.6(10) . .
C23 C22 C19 123.1(10) . .
C24 C23 C22 121.5(11) . .
C24 C23 H23A 119.2 . .
C22 C23 H23A 119.2 . .
C23 C24 N2 120.8(10) . .
C23 C24 H24A 119.6 . .
N2 C24 H24A 119.6 . .
O5 C25 O6 125.4(10) . .
O5 C25 C31 115.9(9) . .
O6 C25 C31 118.6(9) . .
C27 C26 C31 121.4(12) . .
C27 C26 H26A 119.3 . .
C31 C26 H26A 119.3 . .
C26 C27 C28 120.3(12) . .
C26 C27 H27A 119.8 . .
C28 C27 H27A 119.8 . .
C29 C28 C27 117.6(11) . .
C29 C28 C34 120.8(14) . .
C27 C28 C34 119.5(15) . .
C29 C28 C34' 120.3(15) . .
C27 C28 C34' 121.3(16) . .
C30 C29 C28 121.0(11) . .
C30 C29 H29A 119.5 . .
C28 C29 H29A 119.5 . .
C29 C30 C31 122.2(12) . .
C29 C30 H30A 118.9 . .
C31 C30 H30A 118.9 . .
C26 C31 C30 117.0(11) . .
C26 C31 C25 120.3(10) . .
C30 C31 C25 122.7(10) . .
C33' C32' N3' 120.0 . .
C33' C32' H32A 120.0 . .
N3' C32' H32A 120.0 . .
C32' C33' C34' 120.0 . .
C32' C33' H33A 120.0 . .
C34' C33' H33A 120.0 . .
C35' C34' C33' 120.0 . .
C35' C34' C28 123.9(18) . .
C33' C34' C28 115.1(17) . .
C34' C35' C36' 120.0 . .
C34' C35' H35A 120.0 . .
C36' C35' H35A 120.0 . .
N3' C36' C35' 120.0 . .
N3' C36' H36A 120.0 . .
C35' C36' H36A 120.0 . .
C36' N3' C32' 120.0 . .
C36' N3' Cu3' 120.5(16) . .
C32' N3' Cu3' 119.5(16) . .
C36' N3' Cu3 137.6(15) . .
C32' N3' Cu3 91.6(15) . .
C33 C32 N3 120.0 . .
C33 C32 H32B 120.0 . .
N3 C32 H32B 120.0 . .
C32 C33 C34 120.0 . .
C32 C33 H33B 120.0 . .
C34 C33 H33B 120.0 . .
C35 C34 C33 120.0 . .
C35 C34 C28 125.5(14) . .
C33 C34 C28 114.5(14) . .
C36 C35 C34 120.0 . .
C36 C35 H35B 120.0 . .
C34 C35 H35B 120.0 . .
C35 C36 N3 120.0 . .
C35 C36 H36B 120.0 . .
N3 C36 H36B 120.0 . .
C36 N3 C32 120.0 . .
C36 N3 Cu3 120.8(9) . .
C32 N3 Cu3 118.8(9) . .
C36 N3 Cu3' 134.2(9) . .
C32 N3 Cu3' 97.7(9) . .
O7 C37 O8 123.6(10) . .
O7 C37 C40 116.6(10) . .
O8 C37 C40 119.7(10) . .
C39 C38 C43 122.2(13) . .
C39 C38 H38A 118.9 . .
C43 C38 H38A 118.9 . .
C38 C39 C40 120.1(12) . .
C38 C39 H39A 119.9 . .
C40 C39 H39A 119.9 . .
C41 C40 C39 116.1(11) . .
C41 C40 C37 124.1(10) . .
C39 C40 C37 119.8(11) . .
C40 C41 C42 123.9(12) . .
C40 C41 H41A 118.0 . .
C42 C41 H41A 118.0 . .
C41 C42 C43 120.5(13) . .
C41 C42 H42A 119.7 . .
C43 C42 H42A 119.7 . .
C42 C43 C38 117.0(12) . .
C42 C43 C46 119.7(13) . .
C38 C43 C46 122.8(13) . .
C42 C43 C46' 130.0(16) . .
C38 C43 C46' 112.7(16) . .
C45 C44 N4 120.0 . .
C45 C44 H44A 120.0 . .
N4 C44 H44A 120.0 . .
C44 C45 C46 120.0 . .
C44 C45 H45A 120.0 . .
C46 C45 H45A 120.0 . .
C47 C46 C45 120.0 . .
C47 C46 C43 120.6(11) . .
C45 C46 C43 119.4(11) . .
C46 C47 C48 120.0 . .
C46 C47 H47A 120.0 . .
C48 C47 H47A 120.0 . .
C47 C48 N4 120.0 . .
C47 C48 H48A 120.0 . .
N4 C48 H48A 120.0 . .
C48 N4 C44 120.0 . .
C48 N4 Cu3 117.6(9) . 1_564
C44 N4 Cu3 122.0(8) . 1_564
C48 N4 Cu3' 131.6(8) . 1_564
C44 N4 Cu3' 100.1(8) . 1_564
C45' C44' N4' 120.0 . .
C45' C44' H44B 120.0 . .
N4' C44' H44B 120.0 . .
C44' C45' C46' 120.0 . .
C44' C45' H45B 120.0 . .
C46' C45' H45B 120.0 . .
C45' C46' C47' 120.0 . .
C45' C46' C43 110(2) . .
C47' C46' C43 130(2) . .
C46' C47' C48' 120.0 . .
C46' C47' H47B 120.0 . .
C48' C47' H47B 120.0 . .
N4' C48' C47' 120.0 . .
N4' C48' H48B 120.0 . .
C47' C48' H48B 120.0 . .
C48' N4' C44' 120.0 . .
C48' N4' Cu3' 121(2) . 1_564
C44' N4' Cu3' 118(2) . 1_564
C48' N4' Cu3 142.5(18) . 1_564
C44' N4' Cu3 86.5(18) . 1_564
C8 N1 C12 117.0(9) . .
C8 N1 Cu1 122.7(7) . 1_565
C12 N1 Cu1 119.6(7) . 1_565
C20 N2 C24 117.9(9) . .
C20 N2 Cu2 121.1(7) . 1_556
C24 N2 Cu2 120.7(7) . 1_556
C1 O1 Eu 137.0(7) . .
C1 O2 Cu2 128.3(6) . .
C13 O3 Cu1 126.9(7) . .
C13 O4 Eu 138.0(7) . .
C25 O5 Eu 155.7(8) . .
C25 O6 Eu 124.6(6) . 2_767
C37 O7 Eu 154.8(7) . .
C37 O8 Eu 126.4(6) . 2_767
Cu1 O9 Cu2 97.7(3) . .
Cu1 O9 H0B 131.3 . .
Cu2 O9 H0B 131.1 . .
Cu1 O10 Cu2 99.5(3) . .
Cu1 O10 Eu 110.5(3) . .
Cu2 O10 Eu 111.5(3) . .
Cu1 O10 H0A 111.5 . .
Cu2 O10 H0A 111.5 . .
Eu O10 H0A 111.7 . .
Eu O1W H1WC 109.7 . .
Eu O1W H1WA 109.1 . .
H1WC O1W H1WA 109.8 . .
H21 O2W H22 107.1(18) . .
H31 O3W H32 109(3) . .
H41 O4W H42 108(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu O5 2.361(7) .
Eu O7 2.374(8) .
Eu O1 2.393(7) .
Eu O4 2.398(7) .
Eu O10 2.409(7) .
Eu O8 2.468(7) 2_767
Eu O6 2.483(7) 2_767
Eu O1W 2.506(9) .
Cu1 O10 1.932(6) .
Cu1 O9 1.950(7) .
Cu1 O3 1.976(7) .
Cu1 N1 1.982(8) 1_545
Cu1 Cu2 2.952(2) .
Cu2 O10 1.936(6) .
Cu2 O2 1.971(7) .
Cu2 O9 1.972(7) .
Cu2 N2 2.010(9) 1_554
Cu3 Cu3' 1.483(9) .
Cu3 N4 2.03(5) 1_546
Cu3 N3 2.036(13) .
Cu3 N3' 2.35(2) .
Cu3 N4' 2.5(2) 1_546
Cu3' N3' 1.954(18) .
Cu3' N4' 2.07(6) 1_546
Cu3' N4 2.29(14) 1_546
Cu3' N3 2.348(15) .
Cu3' H41 1.89(7) .
Cl1 O14' 1.35(3) .
Cl1 O13' 1.39(2) .
Cl1 O12 1.431(9) .
Cl1 O13 1.440(9) .
Cl1 O11 1.445(9) .
Cl1 O14 1.447(9) .
Cl2 O16 1.440(10) .
Cl2 O17 1.440(10) .
Cl2 O15 1.441(10) .
Cl2 O18 1.447(10) .
C1 O1 1.267(12) .
C1 O2 1.267(13) .
C1 C4 1.496(14) .
C2 C7 1.384(16) .
C2 C3 1.407(15) .
C2 H2A 0.9300 .
C3 C4 1.381(15) .
C3 H3A 0.9300 .
C4 C5 1.404(15) .
C5 C6 1.363(15) .
C5 H5A 0.9300 .
C6 C7 1.392(16) .
C6 H6A 0.9300 .
C7 C10 1.487(15) .
C8 C9 1.340(15) .
C8 N1 1.341(14) .
C8 H8A 0.9300 .
C9 C10 1.404(17) .
C9 H9A 0.9300 .
C10 C11 1.437(16) .
C11 C12 1.371(15) .
C11 H11A 0.9300 .
C12 N1 1.364(14) .
C12 H12A 0.9300 .
C13 O3 1.236(13) .
C13 O4 1.286(13) .
C13 C16 1.492(14) .
C14 C19 1.364(16) .
C14 C15 1.389(15) .
C14 H14A 0.9300 .
C15 C16 1.398(15) .
C15 H15A 0.9300 .
C16 C17 1.381(16) .
C17 C18 1.335(16) .
C17 H17A 0.9300 .
C18 C19 1.439(15) .
C18 H18A 0.9300 .
C19 C22 1.478(14) .
C20 N2 1.325(13) .
C20 C21 1.359(14) .
C20 H20A 0.9300 .
C21 C22 1.372(14) .
C21 H21A 0.9300 .
C22 C23 1.422(15) .
C23 C24 1.362(15) .
C23 H23A 0.9300 .
C24 N2 1.375(14) .
C24 H24A 0.9300 .
C25 O5 1.233(13) .
C25 O6 1.274(12) .
C25 C31 1.537(14) .
C26 C27 1.365(17) .
C26 C31 1.378(16) .
C26 H26A 0.9300 .
C27 C28 1.402(18) .
C27 H27A 0.9300 .
C28 C29 1.376(18) .
C28 C34 1.476(18) .
C28 C34' 1.61(2) .
C29 C30 1.348(16) .
C29 H29A 0.9300 .
C30 C31 1.383(15) .
C30 H30A 0.9300 .
C32' C33' 1.3900 .
C32' N3' 1.3900 .
C32' H32A 0.9300 .
C33' C34' 1.3900 .
C33' H33A 0.9300 .
C34' C35' 1.3900 .
C35' C36' 1.3900 .
C35' H35A 0.9300 .
C36' N3' 1.3900 .
C36' H36A 0.9300 .
C32 C33 1.3900 .
C32 N3 1.3900 .
C32 H32B 0.9300 .
C33 C34 1.3900 .
C33 H33B 0.9300 .
C34 C35 1.3900 .
C35 C36 1.3900 .
C35 H35B 0.9300 .
C36 N3 1.3900 .
C36 H36B 0.9300 .
C37 O7 1.247(13) .
C37 O8 1.275(12) .
C37 C40 1.479(14) .
C38 C39 1.371(17) .
C38 C43 1.393(19) .
C38 H38A 0.9300 .
C39 C40 1.403(17) .
C39 H39A 0.9300 .
C40 C41 1.363(16) .
C41 C42 1.363(15) .
C41 H41A 0.9300 .
C42 C43 1.366(18) .
C42 H42A 0.9300 .
C43 C46 1.501(16) .
C43 C46' 1.52(2) .
C44 C45 1.3900 .
C44 N4 1.3900 .
C44 H44A 0.9300 .
C45 C46 1.3900 .
C45 H45A 0.9300 .
C46 C47 1.3900 .
C47 C48 1.3900 .
C47 H47A 0.9300 .
C48 N4 1.3900 .
C48 H48A 0.9300 .
N4 Cu3 2.031(10) 1_564
N4 Cu3' 2.293(15) 1_564
C44' C45' 1.3900 .
C44' N4' 1.3900 .
C44' H44B 0.9300 .
C45' C46' 1.3900 .
C45' H45B 0.9300 .
C46' C47' 1.3900 .
C47' C48' 1.3900 .
C47' H47B 0.9300 .
C48' N4' 1.3900 .
C48' H48B 0.9300 .
N4' Cu3' 2.07(2) 1_564
N4' Cu3 2.48(3) 1_564
N1 Cu1 1.982(8) 1_565
N2 Cu2 2.010(9) 1_556
O6 Eu 2.483(7) 2_767
O8 Eu 2.468(7) 2_767
O9 H0B 0.8999 .
O10 H0A 0.9601 .
O1W H1WC 0.8500 .
O1W H1WA 0.8501 .
O2W H21 0.833(10) .
O2W H22 0.831(10) .
O3W H31 0.82(2) .
O3W H32 0.82(2) .
O4W H41 0.83(2) .
O4W H42 0.82(2) .
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
O9 H0B O2W 0.90 2.29 2.874(11) 122.4 .
O10 H0A O3W 0.96 1.90 2.849(19) 168.3 .
O4W H42 O5 0.82(2) 2.37(6) 3.142(14) 157(13) 2_768
