#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:20:49 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179323 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/20/4322057.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_4322057
loop_
_publ_author_name
'Ann J. Stemmler'
'Jeff W. Kampf'
'Martin L. Kirk'
'Bassel H. Atasi'
'Vincent L. Pecoraro'
_publ_section_title
;
 The Preparation, Characterization, and Magnetism of Copper
 15-Metallacrown-5 Lanthanide Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2807
_journal_page_last               2817
_journal_paper_doi               10.1021/ic9800233
_journal_volume                  38
_journal_year                    1999
_chemical_formula_sum            'C45 H55 Cu5 Eu N19 O24'
_chemical_formula_weight         1715.74
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 96.850(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.319(2)
_cell_length_b                   21.863(2)
_cell_length_c                   18.410(3)
_cell_measurement_reflns_used    40
_cell_measurement_temperature    178(2)
_cell_measurement_theta_max      10.20
_cell_measurement_theta_min      5.90
_cell_volume                     6521.5(15)
_computing_cell_refinement       'Siemens XSCANS'
_computing_data_collection       'Siemens XSCANS'
_computing_data_reduction        'Siemens XSCANS'
_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  'Siemens SHELXTL'
_computing_structure_refinement  'Siemens SHELXTL'
_computing_structure_solution    'Siemens SHELXTL'
_diffrn_ambient_temperature      178(2)
_diffrn_measurement_device       'Siemens P4 '
_diffrn_measurement_method       '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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.2806
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            11419
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.51
_diffrn_standards_decay_%        2.21
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.638
_exptl_absorpt_correction_T_max  1.190
_exptl_absorpt_correction_T_min  0.812
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.747
_exptl_crystal_description       needle
_exptl_crystal_F_000             3432
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.167
_refine_diff_density_min         -0.912
_refine_diff_density_rms         0.125
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.737
_refine_ls_goodness_of_fit_obs   0.935
_refine_ls_matrix_type           full
_refine_ls_number_parameters     768
_refine_ls_number_reflns         11414
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.737
_refine_ls_restrained_S_obs      0.935
_refine_ls_R_factor_all          0.1262
_refine_ls_R_factor_obs          0.0463
_refine_ls_shift/esd_max         0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0134P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0935
_refine_ls_wR_factor_obs         0.0750
_reflns_number_observed          4593
_reflns_number_total             11419
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic9800233_2.cif
_cod_data_source_block           cueu
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0134P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0134P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_database_code               4322057
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Eu1 Eu 0.34938(3) 0.24251(2) 0.14264(3) 0.01804(12) Uani 1 d . .
Cu1 Cu 0.44167(8) 0.21588(5) 0.34344(6) 0.0283(3) Uani 1 d . .
Cu2 Cu 0.39727(8) 0.40069(5) 0.23168(6) 0.0248(3) Uani 1 d . .
Cu3 Cu 0.25486(7) 0.36814(5) 0.00434(6) 0.0226(3) Uani 1 d . .
Cu4 Cu 0.24018(7) 0.16023(5) -0.03144(6) 0.0258(3) Uani 1 d . .
Cu5 Cu 0.35264(7) 0.06523(5) 0.18126(6) 0.0274(3) Uani 1 d . .
O1 O 0.4453(4) 0.3980(3) 0.3330(3) 0.027(2) Uani 1 d . .
O2 O 0.4220(4) 0.3133(3) 0.2306(3) 0.028(2) Uani 1 d . .
O3 O 0.2561(4) 0.4487(2) 0.0471(3) 0.024(2) Uani 1 d . .
O4 O 0.3132(4) 0.3435(2) 0.0979(3) 0.021(2) Uani 1 d . .
O5 O 0.1795(4) 0.2137(3) -0.1042(3) 0.026(2) Uani 1 d . .
O6 O 0.2767(3) 0.2352(3) 0.0199(3) 0.022(2) Uani 1 d . .
O7 O 0.2813(4) 0.0189(3) 0.1097(3) 0.027(2) Uani 1 d . .
O8 O 0.3332(4) 0.1339(2) 0.1143(3) 0.020(2) Uani 1 d . .
O9 O 0.4408(4) 0.1342(3) 0.3797(3) 0.026(2) Uani 1 d . .
O10 O 0.3896(4) 0.1836(3) 0.2525(3) 0.026(2) Uani 1 d . .
O11 O 0.4948(4) 0.2036(3) 0.1406(4) 0.045(2) Uani 1 d . .
O12 O 0.4591(4) 0.2792(3) 0.0683(3) 0.037(2) Uani 1 d . .
O13 O 0.5877(4) 0.2459(4) 0.0827(4) 0.070(2) Uani 1 d . .
O14 O 0.2058(4) 0.2155(3) 0.1594(3) 0.030(2) Uani 1 d . .
O15 O 0.1328(4) 0.2541(3) 0.2407(3) 0.045(2) Uani 1 d . .
O16 O 0.2556(4) 0.2851(3) 0.2327(3) 0.039(2) Uani 1 d . .
O17 O 0.5198(4) 0.4314(3) 0.1877(3) 0.033(2) Uani 1 d . .
O18 O 0.3662(4) 0.3871(3) -0.0563(3) 0.035(2) Uani 1 d . .
O19 O 0.3528(4) 0.1508(3) -0.0950(3) 0.042(2) Uani 1 d . .
O20 O 0.4730(4) 0.0349(3) 0.1418(3) 0.039(2) Uani 1 d . .
O21 O 0.9716(4) 0.1247(3) 0.1998(3) 0.040(2) Uani 1 d . .
N1 N 0.4812(4) 0.2583(4) 0.4349(3) 0.024(2) Uani 1 d U .
N2 N 0.4484(4) 0.2978(4) 0.3033(4) 0.025(2) Uani 1 d U .
N3 N 0.3559(4) 0.4864(3) 0.2261(4) 0.021(2) Uani 1 d U .
N4 N 0.3270(4) 0.3956(3) 0.1388(4) 0.016(2) Uiso 1 d . .
N5 N 0.1771(4) 0.3783(3) -0.0883(4) 0.021(2) Uani 1 d U .
N6 N 0.2413(4) 0.2825(3) -0.0226(4) 0.015(2) Uani 1 d U .
N7 N 0.1869(5) 0.0810(3) -0.0629(4) 0.020(2) Uani 1 d U .
N8 N 0.2795(4) 0.1119(3) 0.0545(4) 0.022(2) Uani 1 d U .
N9 N 0.3732(4) 0.0056(3) 0.2634(4) 0.020(2) Uani 1 d U .
N10 N 0.3877(5) 0.1204(3) 0.2591(4) 0.026(2) Uani 1 d U .
N11 N 0.5154(5) 0.2439(5) 0.0976(5) 0.043(2) Uani 1 d U .
N12 N 0.1968(4) 0.2503(4) 0.2117(4) 0.027(2) Uani 1 d U .
N13 N 0.6545(5) 0.4033(4) 0.1910(4) 0.038(2) Uani 1 d U .
N14 N 0.5011(5) 0.4148(4) -0.0479(4) 0.038(2) Uani 1 d U .
N15 N 0.4749(6) 0.1955(4) -0.1210(5) 0.062(3) Uani 1 d U .
N16 N 0.5755(5) 0.0502(4) 0.0709(4) 0.043(2) Uani 1 d U .
N17 N 0.8608(5) 0.1730(4) 0.2354(4) 0.039(2) Uani 1 d U .
C1 C 0.5033(5) 0.2354(5) 0.5005(5) 0.033(3) Uani 1 d U .
H1A H 0.5008(5) 0.1924(5) 0.5071(5) 0.031(5) Uiso 1 calc R .
C2 C 0.5296(6) 0.2711(4) 0.5592(5) 0.038(3) Uani 1 d U .
H2A H 0.5452(6) 0.2529(4) 0.6057(5) 0.031(5) Uiso 1 calc R .
C3 C 0.5336(6) 0.3328(5) 0.5515(5) 0.037(3) Uani 1 d U .
H3A H 0.5529(6) 0.3582(5) 0.5919(5) 0.031(5) Uiso 1 calc R .
C4 C 0.5091(5) 0.3575(4) 0.4839(5) 0.026(2) Uani 1 d U .
H4A H 0.5092(5) 0.4006(4) 0.4773(5) 0.031(5) Uiso 1 calc R .
C5 C 0.4838(5) 0.3191(4) 0.4246(4) 0.018(2) Uani 1 d U .
C6 C 0.4561(6) 0.3413(4) 0.3480(5) 0.022(2) Uani 1 d U .
C7 C 0.3688(5) 0.5310(4) 0.2753(5) 0.022(2) Uani 1 d . .
H7A H 0.4005(5) 0.5229(4) 0.3209(5) 0.031(5) Uiso 1 calc R .
C8 C 0.3372(6) 0.5883(4) 0.2613(5) 0.031(3) Uani 1 d . .
H8A H 0.3454(6) 0.6188(4) 0.2982(5) 0.031(5) Uiso 1 calc R .
C9 C 0.2946(5) 0.6024(4) 0.1961(5) 0.026(2) Uani 1 d . .
H9A H 0.2751(5) 0.6427(4) 0.1855(5) 0.031(5) Uiso 1 calc R .
C10 C 0.2804(5) 0.5557(4) 0.1454(5) 0.028(2) Uani 1 d . .
H10A H 0.2493(5) 0.5639(4) 0.0994(5) 0.031(5) Uiso 1 calc R .
C11 C 0.3101(5) 0.4983(4) 0.1601(5) 0.022(2) Uani 1 d . .
C12 C 0.2963(5) 0.4431(5) 0.1106(5) 0.023(2) Uani 1 d . .
C13 C 0.1504(6) 0.4295(4) -0.1221(5) 0.026(3) Uani 1 d . .
H13A H 0.1617(6) 0.4675(4) -0.0980(5) 0.031(5) Uiso 1 calc R .
C14 C 0.1064(6) 0.4294(4) -0.1921(5) 0.031(3) Uani 1 d . .
H14A H 0.0869(6) 0.4662(4) -0.2154(5) 0.031(5) Uiso 1 calc R .
C15 C 0.0927(5) 0.3743(4) -0.2253(5) 0.023(2) Uani 1 d U .
H15A H 0.0659(5) 0.3728(4) -0.2740(5) 0.031(5) Uiso 1 calc R .
C16 C 0.1167(5) 0.3207(4) -0.1902(5) 0.024(2) Uani 1 d U .
H16A H 0.1035(5) 0.2821(4) -0.2125(5) 0.031(5) Uiso 1 calc R .
C17 C 0.1606(5) 0.3247(4) -0.1216(4) 0.018(2) Uani 1 d U .
C18 C 0.1973(6) 0.2683(4) -0.0785(6) 0.028(3) Uani 1 d U .
C19 C 0.1377(6) 0.0678(4) -0.1228(5) 0.028(3) Uani 1 d U .
H19A H 0.1260(6) 0.0985(4) -0.1591(5) 0.031(5) Uiso 1 calc R .
C20 C 0.1028(6) 0.0106(4) -0.1342(5) 0.031(3) Uani 1 d U .
H20A H 0.0680(6) 0.0023(4) -0.1782(5) 0.031(5) Uiso 1 calc R .
C21 C 0.1178(6) -0.0337(4) -0.0828(5) 0.034(3) Uani 1 d U .
H21A H 0.0949(6) -0.0735(4) -0.0907(5) 0.031(5) Uiso 1 calc R .
C22 C 0.1681(6) -0.0196(4) -0.0178(5) 0.032(3) Uani 1 d U .
H22A H 0.1773(6) -0.0494(4) 0.0199(5) 0.031(5) Uiso 1 calc R .
C23 C 0.2043(5) 0.0376(4) -0.0081(5) 0.023(2) Uani 1 d U .
C24 C 0.2591(6) 0.0573(4) 0.0586(5) 0.020(2) Uani 1 d U .
C25 C 0.3642(6) -0.0559(4) 0.2660(6) 0.032(3) Uani 1 d U .
H25A H 0.3410(6) -0.0764(4) 0.2229(6) 0.031(5) Uiso 1 calc R .
C26 C 0.3866(7) -0.0897(4) 0.3269(6) 0.043(3) Uani 1 d U .
H26A H 0.3793(7) -0.1328(4) 0.3254(6) 0.031(5) Uiso 1 calc R .
C27 C 0.4199(6) -0.0621(4) 0.3908(5) 0.032(3) Uani 1 d U .
H27A H 0.4358(6) -0.0852(4) 0.4338(5) 0.031(5) Uiso 1 calc R .
C28 C 0.4288(6) -0.0013(4) 0.3897(5) 0.032(3) Uani 1 d U .
H28A H 0.4508(6) 0.0193(4) 0.4332(5) 0.031(5) Uiso 1 calc R .
C29 C 0.4068(5) 0.0325(4) 0.3267(5) 0.020(2) Uani 1 d U .
C30 C 0.4129(5) 0.1016(4) 0.3223(5) 0.019(2) Uani 1 d U .
C31 C 0.5731(6) 0.3927(5) 0.1954(5) 0.035(3) Uiso 1 d . .
H31A H 0.5569(6) 0.3521(5) 0.2050(5) 0.031(5) Uiso 1 calc R .
C32 C 0.6862(6) 0.4622(4) 0.1766(5) 0.043(3) Uiso 1 d . .
H32A H 0.7200(26) 0.4593(6) 0.1362(19) 0.044(5) Uiso 1 calc R .
H32B H 0.7200(26) 0.4774(11) 0.2205(10) 0.044(5) Uiso 1 calc R .
H32C H 0.6402(6) 0.4904(7) 0.1632(27) 0.044(5) Uiso 1 calc R .
C33 C 0.7141(8) 0.3561(5) 0.2085(7) 0.092(5) Uiso 1 d . .
H33A H 0.7532(19) 0.3688(11) 0.2503(18) 0.044(5) Uiso 1 calc R .
H33B H 0.7439(22) 0.3484(16) 0.1662(11) 0.044(5) Uiso 1 calc R .
H33C H 0.6860(8) 0.3186(8) 0.2210(26) 0.044(5) Uiso 1 calc R .
C34 C 0.4320(7) 0.3993(4) -0.0192(6) 0.036(3) Uiso 1 d . .
H34A H 0.4340(7) 0.3976(4) 0.0326(6) 0.031(5) Uiso 1 calc R .
C35 C 0.5047(6) 0.4169(4) -0.1248(5) 0.044(3) Uiso 1 d . .
H35A H 0.5579(14) 0.4006(21) -0.1356(5) 0.044(5) Uiso 1 calc R .
H35B H 0.4990(31) 0.4593(5) -0.1417(7) 0.044(5) Uiso 1 calc R .
H35C H 0.4599(19) 0.3922(19) -0.1499(5) 0.044(5) Uiso 1 calc R .
C36 C 0.5720(8) 0.4284(6) -0.0015(6) 0.086(5) Uiso 1 d . .
H36A H 0.6023(17) 0.4612(17) -0.0229(14) 0.044(5) Uiso 1 calc R .
H36B H 0.6069(16) 0.3919(9) 0.0053(22) 0.044(5) Uiso 1 calc R .
H36C H 0.5569(8) 0.4417(22) 0.0460(11) 0.044(5) Uiso 1 calc R .
C37 C 0.4042(7) 0.1926(5) -0.0887(6) 0.048(3) Uiso 1 d . .
H37A H 0.3932(7) 0.2260(5) -0.0584(6) 0.031(5) Uiso 1 calc R .
C38 C 0.4902(7) 0.1483(5) -0.1723(6) 0.069(4) Uiso 1 d . .
H38A H 0.5196(28) 0.1658(7) -0.2108(16) 0.044(5) Uiso 1 calc R .
H38B H 0.4375(7) 0.1311(16) -0.1941(21) 0.044(5) Uiso 1 calc R .
H38C H 0.5238(27) 0.1160(12) -0.1468(8) 0.044(5) Uiso 1 calc R .
C39 C 0.5269(6) 0.2497(5) -0.1066(5) 0.065(3) Uiso 1 d . .
H39A H 0.5399(25) 0.2669(14) -0.1530(6) 0.044(5) Uiso 1 calc R .
H39B H 0.5782(14) 0.2383(7) -0.0764(22) 0.044(5) Uiso 1 calc R .
H39C H 0.4975(13) 0.2803(10) -0.0806(24) 0.044(5) Uiso 1 calc R .
C40 C 0.4988(7) 0.0601(5) 0.0911(6) 0.041(3) Uiso 1 d . .
H40A H 0.4638(7) 0.0886(5) 0.0636(6) 0.031(5) Uiso 1 calc R .
C41 C 0.5984(8) 0.0823(6) 0.0073(6) 0.077(4) Uiso 1 d . .
H41A H 0.6051(31) 0.0528(6) -0.0316(11) 0.044(5) Uiso 1 calc R .
H41B H 0.6505(17) 0.1041(19) 0.0206(9) 0.044(5) Uiso 1 calc R .
H41C H 0.5550(16) 0.1117(17) -0.0099(17) 0.044(5) Uiso 1 calc R .
C42 C 0.6319(7) 0.0060(5) 0.1091(6) 0.063(4) Uiso 1 d . .
H42B H 0.6808(15) 0.0274(6) 0.1328(23) 0.044(5) Uiso 1 calc R .
H42C H 0.6487(25) -0.0239(14) 0.0741(7) 0.044(5) Uiso 1 calc R .
H42D H 0.6042(12) -0.0151(16) 0.1463(19) 0.044(5) Uiso 1 calc R .
C43 C 0.9343(7) 0.1719(5) 0.2125(5) 0.040(3) Uiso 1 d . .
H43A H 0.9603(7) 0.2100(5) 0.2053(5) 0.031(5) Uiso 1 calc R .
C44 C 0.8239(7) 0.2306(5) 0.2469(6) 0.075(4) Uiso 1 d . .
H44A H 0.8012(26) 0.2301(9) 0.2938(13) 0.044(5) Uiso 1 calc R .
H44B H 0.7794(20) 0.2384(11) 0.2073(15) 0.044(5) Uiso 1 calc R .
H44C H 0.8656(9) 0.2629(6) 0.2474(25) 0.044(5) Uiso 1 calc R .
C45 C 0.8129(6) 0.1186(4) 0.2455(5) 0.038(3) Uiso 1 d . .
H45A H 0.7633(16) 0.1184(12) 0.2097(18) 0.044(5) Uiso 1 calc R .
H45B H 0.7968(26) 0.1184(12) 0.2951(10) 0.044(5) Uiso 1 calc R .
H45C H 0.8462(12) 0.0823(4) 0.2384(26) 0.044(5) Uiso 1 calc R .
N18 N 0.3927(8) 0.1087(6) 0.6223(8) 0.100(4) Uiso 1 d . .
O22 O 0.3930(5) 0.0776(4) 0.6798(4) 0.072(3) Uiso 1 d . .
O23 O 0.4184(5) 0.1646(4) 0.6335(4) 0.091(3) Uiso 1 d . .
O24 O 0.3731(7) 0.0890(6) 0.5650(7) 0.156(5) Uiso 1 d . .
N19 N 0.2783(8) 0.2685(6) 0.4722(7) 0.041(2) Uiso 1 d . .
C46 C 0.2974(10) 0.2852(8) 0.5399(9) 0.041(2) Uiso 1 d . .
H46A H 0.3063(10) 0.2549(8) 0.5770(9) 0.041(2) Uiso 1 calc R .
O25 O 0.3036(7) 0.3359(5) 0.5558(6) 0.041(2) Uiso 1 d . .
C47 C 0.2657(10) 0.3122(7) 0.4232(8) 0.041(2) Uiso 1 d . .
H47A H 0.2082(17) 0.3108(25) 0.4006(33) 0.044(5) Uiso 1 calc R .
H47B H 0.3027(37) 0.3065(23) 0.3856(26) 0.044(5) Uiso 1 calc R .
H47C H 0.2766(50) 0.3519(7) 0.4471(12) 0.044(5) Uiso 1 calc R .
C48 C 0.2784(11) 0.2076(7) 0.4601(9) 0.041(2) Uiso 1 d . .
H48A H 0.2287(27) 0.1894(9) 0.4762(43) 0.044(5) Uiso 1 calc R .
H48B H 0.3274(28) 0.1893(9) 0.4877(38) 0.044(5) Uiso 1 calc R .
H48C H 0.2791(54) 0.1998(7) 0.4078(11) 0.044(5) Uiso 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'
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
O4 Eu1 O10 143.6(2) . . ?
O4 Eu1 O6 70.7(2) . . ?
O10 Eu1 O6 142.7(2) . . ?
O4 Eu1 O8 143.6(2) . . ?
O10 Eu1 O8 70.9(2) . . ?
O6 Eu1 O8 73.0(2) . . ?
O4 Eu1 O2 74.1(2) . . ?
O10 Eu1 O2 73.8(2) . . ?
O6 Eu1 O2 143.4(2) . . ?
O8 Eu1 O2 142.2(2) . . ?
O4 Eu1 O14 93.7(2) . . ?
O10 Eu1 O14 86.3(2) . . ?
O6 Eu1 O14 74.6(2) . . ?
O8 Eu1 O14 73.4(2) . . ?
O2 Eu1 O14 117.5(2) . . ?
O4 Eu1 O12 71.5(2) . . ?
O10 Eu1 O12 119.0(2) . . ?
O6 Eu1 O12 79.4(2) . . ?
O8 Eu1 O12 105.1(2) . . ?
O2 Eu1 O12 80.6(2) . . ?
O14 Eu1 O12 153.2(2) . . ?
O4 Eu1 O11 119.8(2) . . ?
O10 Eu1 O11 70.8(2) . . ?
O6 Eu1 O11 108.7(2) . . ?
O8 Eu1 O11 75.4(2) . . ?
O2 Eu1 O11 80.8(2) . . ?
O14 Eu1 O11 145.9(2) . . ?
O12 Eu1 O11 50.7(2) . . ?
O4 Eu1 O16 75.3(2) . . ?
O10 Eu1 O16 77.1(2) . . ?
O6 Eu1 O16 111.3(2) . . ?
O8 Eu1 O16 115.8(2) . . ?
O2 Eu1 O16 67.7(2) . . ?
O14 Eu1 O16 50.0(2) . . ?
O12 Eu1 O16 139.1(2) . . ?
O11 Eu1 O16 140.1(2) . . ?
O9 Cu1 O10 86.6(2) . . ?
O9 Cu1 N2 176.4(3) . . ?
O10 Cu1 N2 92.6(3) . . ?
O9 Cu1 N1 99.1(3) . . ?
O10 Cu1 N1 171.1(3) . . ?
N2 Cu1 N1 82.2(3) . . ?
O1 Cu2 N4 166.9(3) . . ?
O1 Cu2 O2 85.4(2) . . ?
N4 Cu2 O2 92.1(3) . . ?
O1 Cu2 N3 100.0(3) . . ?
N4 Cu2 N3 81.2(3) . . ?
O2 Cu2 N3 171.8(3) . . ?
O1 Cu2 O17 94.4(2) . . ?
N4 Cu2 O17 98.6(3) . . ?
O2 Cu2 O17 95.2(2) . . ?
N3 Cu2 O17 90.6(3) . . ?
O3 Cu3 O4 84.9(2) . . ?
O3 Cu3 N6 168.5(3) . . ?
O4 Cu3 N6 89.3(3) . . ?
O3 Cu3 N5 102.7(3) . . ?
O4 Cu3 N5 167.1(3) . . ?
N6 Cu3 N5 81.3(3) . . ?
O3 Cu3 O18 93.6(2) . . ?
O4 Cu3 O18 98.6(2) . . ?
N6 Cu3 O18 97.1(3) . . ?
N5 Cu3 O18 91.4(3) . . ?
N8 Cu4 O6 90.6(3) . . ?
N8 Cu4 O5 166.4(3) . . ?
O6 Cu4 O5 86.0(2) . . ?
N8 Cu4 N7 81.7(3) . . ?
O6 Cu4 N7 165.7(3) . . ?
O5 Cu4 N7 98.8(3) . . ?
N8 Cu4 O19 99.1(3) . . ?
O6 Cu4 O19 96.1(2) . . ?
O5 Cu4 O19 94.3(2) . . ?
N7 Cu4 O19 97.0(3) . . ?
N10 Cu5 O7 160.6(3) . . ?
N10 Cu5 O8 90.0(3) . . ?
O7 Cu5 O8 86.2(2) . . ?
N10 Cu5 N9 80.5(3) . . ?
O7 Cu5 N9 101.9(3) . . ?
O8 Cu5 N9 170.2(3) . . ?
N10 Cu5 O20 103.4(3) . . ?
O7 Cu5 O20 95.9(2) . . ?
O8 Cu5 O20 96.0(2) . . ?
N9 Cu5 O20 88.7(3) . . ?
C6 O1 Cu2 105.5(6) . . ?
N2 O2 Cu2 105.6(5) . . ?
N2 O2 Eu1 123.4(5) . . ?
Cu2 O2 Eu1 122.8(3) . . ?
C12 O3 Cu3 105.4(6) . . ?
N4 O4 Cu3 106.6(4) . . ?
N4 O4 Eu1 124.0(4) . . ?
Cu3 O4 Eu1 129.3(3) . . ?
C18 O5 Cu4 103.0(6) . . ?
N6 O6 Cu4 105.8(4) . . ?
N6 O6 Eu1 127.0(4) . . ?
Cu4 O6 Eu1 126.4(3) . . ?
C24 O7 Cu5 104.6(6) . . ?
N8 O8 Cu5 105.7(4) . . ?
N8 O8 Eu1 122.8(5) . . ?
Cu5 O8 Eu1 127.7(3) . . ?
C30 O9 Cu1 104.1(5) . . ?
N10 O10 Cu1 107.6(5) . . ?
N10 O10 Eu1 126.6(5) . . ?
Cu1 O10 Eu1 125.5(3) . . ?
N11 O11 Eu1 95.5(6) . . ?
N11 O12 Eu1 95.8(5) . . ?
N12 O14 Eu1 98.7(5) . . ?
N12 O16 Eu1 94.3(5) . . ?
C31 O17 Cu2 113.0(6) . . ?
C34 O18 Cu3 117.4(6) . . ?
C37 O19 Cu4 117.4(7) . . ?
C40 O20 Cu5 120.7(7) . . ?
C1 N1 C5 119.7(8) . . ?
C1 N1 Cu1 129.3(7) . . ?
C5 N1 Cu1 111.0(6) . . ?
C6 N2 O2 116.0(8) . . ?
C6 N2 Cu1 117.1(6) . . ?
O2 N2 Cu1 124.3(6) . . ?
C7 N3 C11 119.3(8) . . ?
C7 N3 Cu2 129.1(6) . . ?
C11 N3 Cu2 111.6(6) . . ?
C12 N4 O4 115.9(7) . . ?
C12 N4 Cu2 119.1(6) . . ?
O4 N4 Cu2 124.8(5) . . ?
C13 N5 C17 119.2(8) . . ?
C13 N5 Cu3 128.9(6) . . ?
C17 N5 Cu3 111.4(6) . . ?
C18 N6 O6 116.8(8) . . ?
C18 N6 Cu3 119.8(7) . . ?
O6 N6 Cu3 123.4(5) . . ?
C19 N7 C23 120.6(8) . . ?
C19 N7 Cu4 129.5(6) . . ?
C23 N7 Cu4 109.8(6) . . ?
C24 N8 O8 115.3(8) . . ?
C24 N8 Cu4 120.3(7) . . ?
O8 N8 Cu4 124.4(5) . . ?
C25 N9 C29 115.7(8) . . ?
C25 N9 Cu5 131.8(7) . . ?
C29 N9 Cu5 112.4(5) . . ?
C30 N10 O10 113.5(8) . . ?
C30 N10 Cu5 121.7(7) . . ?
O10 N10 Cu5 124.9(6) . . ?
O13 N11 O11 119.8(10) . . ?
O13 N11 O12 122.8(10) . . ?
O11 N11 O12 117.3(8) . . ?
O15 N12 O14 123.9(8) . . ?
O15 N12 O16 119.1(8) . . ?
O14 N12 O16 116.9(7) . . ?
C31 N13 C32 122.8(8) . . ?
C31 N13 C33 120.5(9) . . ?
C32 N13 C33 116.4(9) . . ?
C34 N14 C36 119.2(9) . . ?
C34 N14 C35 122.4(8) . . ?
C36 N14 C35 118.4(9) . . ?
C37 N15 C38 118.3(10) . . ?
C37 N15 C39 117.5(9) . . ?
C38 N15 C39 123.9(8) . . ?
C40 N16 C41 118.4(10) . . ?
C40 N16 C42 121.3(9) . . ?
C41 N16 C42 120.2(9) . . ?
C43 N17 C44 118.8(9) . . ?
C43 N17 C45 123.5(9) . . ?
C44 N17 C45 117.6(8) . . ?
N1 C1 C2 122.4(10) . . ?
C3 C2 C1 120.1(10) . . ?
C2 C3 C4 118.2(9) . . ?
C3 C4 C5 120.0(9) . . ?
N1 C5 C4 119.6(8) . . ?
N1 C5 C6 116.0(8) . . ?
C4 C5 C6 124.3(9) . . ?
N2 C6 O1 126.5(9) . . ?
N2 C6 C5 111.3(8) . . ?
O1 C6 C5 122.1(9) . . ?
N3 C7 C8 121.2(9) . . ?
C9 C8 C7 121.3(9) . . ?
C8 C9 C10 117.4(9) . . ?
C11 C10 C9 121.2(9) . . ?
C10 C11 N3 119.6(9) . . ?
C10 C11 C12 126.2(9) . . ?
N3 C11 C12 114.1(8) . . ?
N4 C12 O3 127.0(9) . . ?
N4 C12 C11 113.1(8) . . ?
O3 C12 C11 119.9(9) . . ?
N5 C13 C14 122.2(9) . . ?
C15 C14 C13 117.1(9) . . ?
C14 C15 C16 121.6(9) . . ?
C15 C16 C17 117.6(9) . . ?
N5 C17 C16 122.1(9) . . ?
N5 C17 C18 114.8(8) . . ?
C16 C17 C18 123.1(9) . . ?
N6 C18 O5 128.4(10) . . ?
N6 C18 C17 112.5(8) . . ?
O5 C18 C17 119.1(9) . . ?
N7 C19 C20 121.7(9) . . ?
C21 C20 C19 120.3(9) . . ?
C20 C21 C22 118.5(9) . . ?
C23 C22 C21 120.3(9) . . ?
C22 C23 N7 118.5(8) . . ?
C22 C23 C24 124.7(9) . . ?
N7 C23 C24 116.8(8) . . ?
N8 C24 O7 128.2(10) . . ?
N8 C24 C23 111.4(8) . . ?
O7 C24 C23 120.3(9) . . ?
N9 C25 C26 123.4(10) . . ?
C25 C26 C27 120.5(9) . . ?
C28 C27 C26 117.2(10) . . ?
C27 C28 C29 121.6(10) . . ?
N9 C29 C28 121.7(8) . . ?
N9 C29 C30 114.0(8) . . ?
C28 C29 C30 124.3(9) . . ?
N10 C30 O9 127.8(9) . . ?
N10 C30 C29 111.1(8) . . ?
O9 C30 C29 121.1(8) . . ?
O17 C31 N13 124.7(10) . . ?
O18 C34 N14 123.5(10) . . ?
O19 C37 N15 126.5(11) . . ?
O20 C40 N16 123.8(11) . . ?
O21 C43 N17 124.3(10) . . ?
O24 N18 O22 123.0(15) . . ?
O24 N18 O23 123.1(15) . . ?
O22 N18 O23 114.0(13) . . ?
C46 N19 C47 116.9(15) . . ?
C46 N19 C48 115.5(16) . . ?
C47 N19 C48 127.5(15) . . ?
O25 C46 N19 121.3(17) . . ?
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
Eu1 O4 2.404(5) . ?
Eu1 O10 2.421(6) . ?
Eu1 O6 2.429(5) . ?
Eu1 O8 2.438(5) . ?
Eu1 O2 2.443(6) . ?
Eu1 O14 2.472(6) . ?
Eu1 O12 2.511(6) . ?
Eu1 O11 2.525(6) . ?
Eu1 O16 2.562(6) . ?
Cu1 O9 1.907(6) . ?
Cu1 O10 1.919(6) . ?
Cu1 N2 1.945(7) . ?
Cu1 N1 1.963(7) . ?
Cu2 O1 1.937(6) . ?
Cu2 N4 1.946(7) . ?
Cu2 O2 1.953(6) . ?
Cu2 N3 1.990(7) . ?
Cu2 O17 2.342(6) . ?
Cu3 O3 1.928(6) . ?
Cu3 O4 1.943(6) . ?
Cu3 N6 1.944(7) . ?
Cu3 N5 2.013(7) . ?
Cu3 O18 2.281(6) . ?
Cu4 N8 1.947(7) . ?
Cu4 O6 1.949(6) . ?
Cu4 O5 1.956(6) . ?
Cu4 N7 1.992(7) . ?
Cu4 O19 2.302(6) . ?
Cu5 N10 1.907(8) . ?
Cu5 O7 1.937(6) . ?
Cu5 O8 1.944(6) . ?
Cu5 N9 1.995(7) . ?
Cu5 O20 2.273(6) . ?
O1 C6 1.277(10) . ?
O2 N2 1.398(8) . ?
O3 C12 1.277(9) . ?
O4 N4 1.370(8) . ?
O5 C18 1.303(9) . ?
O6 N6 1.381(8) . ?
O7 C24 1.280(9) . ?
O8 N8 1.407(8) . ?
O9 C30 1.310(9) . ?
O10 N10 1.389(8) . ?
O11 N11 1.256(10) . ?
O12 N11 1.270(9) . ?
O13 N11 1.243(9) . ?
O14 N12 1.250(8) . ?
O15 N12 1.231(8) . ?
O16 N12 1.250(9) . ?
O17 C31 1.209(10) . ?
O18 C34 1.230(10) . ?
O19 C37 1.237(11) . ?
O20 C40 1.202(10) . ?
O21 C43 1.235(10) . ?
N1 C1 1.317(10) . ?
N1 C5 1.345(11) . ?
N2 C6 1.255(10) . ?
N3 C7 1.329(10) . ?
N3 C11 1.373(10) . ?
N4 C12 1.239(10) . ?
N5 C13 1.329(10) . ?
N5 C17 1.334(10) . ?
N6 C18 1.222(11) . ?
N7 C19 1.316(10) . ?
N7 C23 1.390(10) . ?
N8 C24 1.245(10) . ?
N9 C25 1.353(10) . ?
N9 C29 1.362(10) . ?
N10 C30 1.256(10) . ?
N13 C31 1.361(11) . ?
N13 C32 1.425(11) . ?
N13 C33 1.428(12) . ?
N14 C34 1.345(11) . ?
N14 C36 1.387(12) . ?
N14 C35 1.423(10) . ?
N15 C37 1.361(12) . ?
N15 C38 1.439(11) . ?
N15 C39 1.464(12) . ?
N16 C40 1.366(11) . ?
N16 C41 1.450(12) . ?
N16 C42 1.456(11) . ?
N17 C43 1.317(11) . ?
N17 C44 1.421(12) . ?
N17 C45 1.447(10) . ?
C1 C2 1.361(11) . ?
C2 C3 1.359(12) . ?
C3 C4 1.372(11) . ?
C4 C5 1.399(11) . ?
C5 C6 1.509(12) . ?
C7 C8 1.368(11) . ?
C8 C9 1.348(11) . ?
C9 C10 1.385(11) . ?
C10 C11 1.362(11) . ?
C11 C12 1.512(12) . ?
C13 C14 1.398(12) . ?
C14 C15 1.356(11) . ?
C15 C16 1.373(11) . ?
C16 C17 1.379(11) . ?
C17 C18 1.549(12) . ?
C19 C20 1.380(11) . ?
C20 C21 1.357(11) . ?
C21 C22 1.402(11) . ?
C22 C23 1.387(11) . ?
C23 C24 1.493(12) . ?
C25 C26 1.357(12) . ?
C26 C27 1.375(12) . ?
C27 C28 1.338(11) . ?
C28 C29 1.385(11) . ?
C29 C30 1.517(11) . ?
N18 O24 1.149(14) . ?
N18 O22 1.256(12) . ?
N18 O23 1.300(12) . ?
N19 C46 1.30(2) . ?
N19 C47 1.31(2) . ?
N19 C48 1.35(2) . ?
C46 O25 1.15(2) . ?
