#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:57:22 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179221 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/45/4314540.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_4314540
loop_
_publ_author_name
'Qi-Bing Bo'
'Guo-Xin Sun'
'Dong-Ling Geng'
_publ_section_title
;
 Novel Three-Dimensional Pillared-Layer Ln(III)-Cu(I) Coordination
 Polymers Featuring Spindle-Shaped Heterometallic Building Units
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              561
_journal_page_last               571
_journal_paper_doi               10.1021/ic901730f
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'C51 H33 Cu3 Eu N9 O12, 4(H2 O)'
_chemical_formula_sum            'C51 H41 Cu3 Eu N9 O16'
_chemical_formula_weight         1378.51
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 105.28(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.682(5)
_cell_length_b                   10.546(2)
_cell_length_c                   21.648(4)
_cell_measurement_reflns_used    9188
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      1.78
_cell_volume                     5215.5(19)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0251
_diffrn_reflns_av_sigmaI/netI    0.0278
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            26684
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.78
_exptl_absorpt_coefficient_mu    2.473
_exptl_absorpt_correction_T_max  0.8267
_exptl_absorpt_correction_T_min  0.7557
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellowish
_exptl_crystal_density_diffrn    1.756
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2752
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.959
_refine_diff_density_min         -0.752
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     750
_refine_ls_number_reflns         9188
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.0359
_refine_ls_R_factor_gt           0.0282
_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)+(0.0334P)²+6.4260P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0685
_refine_ls_wR_factor_ref         0.0718
_reflns_number_gt                7901
_reflns_number_total             9188
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic901730f_si_002_4.cif
_cod_data_source_block           Eu-Cu
_cod_depositor_comments
;
The following automatic conversions were performed:

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

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        5215.4(18)
_cod_database_code               4314540
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.5000 0.77531(2) 1.2500 0.02144(7) Uani 1 2 d S . .
Eu2 Eu 0.0000 0.46988(2) 0.7500 0.02229(7) Uani 1 2 d S . .
Cu1 Cu 0.28736(2) 0.66857(5) 1.209926(19) 0.03960(13) Uani 1 1 d . . .
Cu2 Cu 0.23082(2) 0.63460(5) 0.69447(2) 0.04412(13) Uani 1 1 d . . .
Cu3 Cu -0.18651(2) 0.04746(5) 0.619321(19) 0.03670(12) Uani 1 1 d . . .
C1 C -0.23531(16) 0.0150(4) 0.22264(16) 0.0349(8) Uani 1 1 d . . .
H1 H -0.2646 0.0525 0.1906 0.042 Uiso 1 1 calc R . .
C2 C -0.15112(17) -0.1014(4) 0.25257(16) 0.0390(9) Uani 1 1 d . . .
H2 H -0.1211 -0.1460 0.2420 0.047 Uiso 1 1 calc R . .
C3 C -0.23864(15) 0.0251(3) 0.28465(15) 0.0320(8) Uani 1 1 d . . .
H3 H -0.2697 0.0681 0.2939 0.038 Uiso 1 1 calc R . .
C4 C -0.15169(17) -0.0949(4) 0.31580(16) 0.0386(9) Uani 1 1 d . . .
H4 H -0.1224 -0.1350 0.3468 0.046 Uiso 1 1 calc R . .
C5 C -0.19551(15) -0.0290(3) 0.33370(15) 0.0277(7) Uani 1 1 d . . .
C6 C -0.19607(15) -0.0172(3) 0.40187(15) 0.0263(7) Uani 1 1 d . . .
C7 C -0.24716(15) 0.0085(3) 0.41995(15) 0.0283(7) Uani 1 1 d . . .
H7 H -0.2825 0.0180 0.3890 0.034 Uiso 1 1 calc R . .
C8 C -0.24497(16) 0.0198(3) 0.48391(15) 0.0292(8) Uani 1 1 d . . .
H8 H -0.2796 0.0361 0.4952 0.035 Uiso 1 1 calc R . .
C9 C -0.14642(16) -0.0182(3) 0.51353(16) 0.0335(8) Uani 1 1 d . . .
H9 H -0.1118 -0.0287 0.5455 0.040 Uiso 1 1 calc R . .
C10 C -0.14477(16) -0.0309(3) 0.45082(15) 0.0325(8) Uani 1 1 d . . .
H10 H -0.1096 -0.0485 0.4411 0.039 Uiso 1 1 calc R . .
C11 C -0.06772(14) 0.2418(3) 0.65088(15) 0.0264(7) Uani 1 1 d . . .
C12 C 0.02153(15) 0.2824(3) 0.88204(15) 0.0291(8) Uani 1 1 d . . .
C13 C 0.02191(18) 0.2449(4) 0.94346(18) 0.0463(10) Uani 1 1 d . . .
H13 H 0.0501 0.1889 0.9662 0.056 Uiso 1 1 calc R . .
C14 C -0.02063(19) 0.2927(5) 0.97016(18) 0.0559(13) Uani 1 1 d . . .
H14 H -0.0210 0.2704 1.0116 0.067 Uiso 1 1 calc R . .
C15 C -0.06291(17) 0.3742(4) 0.93453(17) 0.0460(10) Uani 1 1 d . . .
H15 H -0.0919 0.4073 0.9516 0.055 Uiso 1 1 calc R . .
C16 C -0.06091(15) 0.4049(3) 0.87286(15) 0.0305(8) Uani 1 1 d . . .
C17 C 0.10329(15) 0.4945(4) 0.67067(16) 0.0338(8) Uani 1 1 d . . .
C18 C 0.02658(16) 0.7719(4) 0.80293(18) 0.0375(9) Uani 1 1 d . . .
C19 C 0.05557(15) 0.6892(4) 0.85962(17) 0.0337(8) Uani 1 1 d . . .
C20 C 0.0272(2) 0.9033(4) 0.8044(2) 0.0677(14) Uani 1 1 d . . .
H20 H 0.0457 0.9461 0.8418 0.081 Uiso 1 1 calc R . .
C21 C 0.0000 0.9700(6) 0.7500 0.087(3) Uani 1 2 d S . .
H21 H 0.0000 1.0581 0.7500 0.104 Uiso 1 2 calc SR . .
C22 C 0.19361(16) 0.6679(4) 0.55846(16) 0.0348(8) Uani 1 1 d . . .
H22 H 0.1567 0.6720 0.5657 0.042 Uiso 1 1 calc R . .
C23 C 0.19784(16) 0.6739(3) 0.49642(15) 0.0317(8) Uani 1 1 d . . .
H23 H 0.1643 0.6824 0.4628 0.038 Uiso 1 1 calc R . .
C24 C 0.25255(15) 0.6675(3) 0.48402(15) 0.0273(7) Uani 1 1 d . . .
C25 C 0.30075(17) 0.6550(4) 0.53663(16) 0.0390(9) Uani 1 1 d . . .
H25 H 0.3382 0.6496 0.5308 0.047 Uiso 1 1 calc R . .
C26 C 0.29283(17) 0.6504(4) 0.59716(16) 0.0395(9) Uani 1 1 d . . .
H26 H 0.3258 0.6430 0.6316 0.047 Uiso 1 1 calc R . .
C27 C 0.19862(16) 0.6926(4) 0.80904(16) 0.0352(8) Uani 1 1 d . . .
H27 H 0.1620 0.7057 0.7808 0.042 Uiso 1 1 calc R . .
C28 C 0.29577(16) 0.6402(3) 0.82691(16) 0.0329(8) Uani 1 1 d . . .
H28 H 0.3273 0.6181 0.8110 0.040 Uiso 1 1 calc R . .
C29 C 0.20460(15) 0.7089(3) 0.87360(15) 0.0315(8) Uani 1 1 d . . .
H29 H 0.1727 0.7345 0.8880 0.038 Uiso 1 1 calc R . .
C30 C 0.30496(15) 0.6524(3) 0.89214(15) 0.0301(8) Uani 1 1 d . . .
H30 H 0.3419 0.6378 0.9194 0.036 Uiso 1 1 calc R . .
C31 C 0.25833(14) 0.6871(3) 0.91725(15) 0.0252(7) Uani 1 1 d . . .
C32 C 0.26541(14) 0.6938(3) 0.98749(15) 0.0248(7) Uani 1 1 d . . .
C33 C 0.21798(15) 0.6699(3) 1.01265(16) 0.0306(8) Uani 1 1 d . . .
H33 H 0.1811 0.6544 0.9855 0.037 Uiso 1 1 calc R . .
C34 C 0.31895(15) 0.7210(3) 1.03070(15) 0.0312(8) Uani 1 1 d . . .
H34 H 0.3515 0.7397 1.0159 0.037 Uiso 1 1 calc R . .
C35 C 0.32358(16) 0.7202(4) 1.09539(16) 0.0340(8) Uani 1 1 d . . .
H35 H 0.3597 0.7389 1.1235 0.041 Uiso 1 1 calc R . .
C36 C 0.22631(16) 0.6696(4) 1.07796(16) 0.0330(8) Uani 1 1 d . . .
H36 H 0.1944 0.6519 1.0940 0.040 Uiso 1 1 calc R . .
C37 C 0.22325(16) 0.6407(3) 1.30476(16) 0.0318(8) Uani 1 1 d . . .
H37 H 0.1929 0.6145 1.2704 0.038 Uiso 1 1 calc R . .
C38 C 0.21478(15) 0.6351(3) 1.36521(15) 0.0313(8) Uani 1 1 d . . .
H38 H 0.1795 0.6055 1.3710 0.038 Uiso 1 1 calc R . .
C39 C 0.25922(15) 0.6741(3) 1.41768(15) 0.0284(8) Uani 1 1 d . . .
C40 C 0.31046(17) 0.7191(4) 1.40537(16) 0.0397(9) Uani 1 1 d . . .
H40 H 0.3410 0.7481 1.4388 0.048 Uiso 1 1 calc R . .
C41 C 0.31566(17) 0.7203(4) 1.34352(17) 0.0421(10) Uani 1 1 d . . .
H41 H 0.3505 0.7493 1.3364 0.051 Uiso 1 1 calc R . .
C42 C 0.39678(14) 0.5528(3) 1.23573(14) 0.0253(7) Uani 1 1 d . . .
C43 C 0.44976(14) 0.4707(3) 1.24182(16) 0.0259(7) Uani 1 1 d . . .
C44 C 0.44792(16) 0.3398(3) 1.2406(2) 0.0435(10) Uani 1 1 d . . .
H44 H 0.4125 0.2968 1.2335 0.052 Uiso 1 1 calc R . .
C45 C 0.5000 0.2742(5) 1.2500 0.062(2) Uani 1 2 d S . .
H45 H 0.5000 0.1860 1.2500 0.075 Uiso 1 2 calc SR . .
C46 C 0.40219(15) 1.0104(3) 1.22542(17) 0.0299(8) Uani 1 1 d . . .
C47 C 0.41567(14) 0.9961(3) 1.29738(17) 0.0288(8) Uani 1 1 d . . .
C48 C 0.39224(17) 1.0746(4) 1.3358(2) 0.0448(10) Uani 1 1 d . . .
H48 H 0.3670 1.1404 1.3180 0.054 Uiso 1 1 calc R . .
C49 C 0.4071(2) 1.0531(4) 1.4006(2) 0.0533(11) Uani 1 1 d . . .
H49 H 0.3918 1.1045 1.4272 0.064 Uiso 1 1 calc R . .
C50 C 0.44487(18) 0.9547(4) 1.42639(19) 0.0456(10) Uani 1 1 d . . .
H50 H 0.4550 0.9387 1.4702 0.055 Uiso 1 1 calc R . .
C51 C 0.46729(15) 0.8807(3) 1.38535(16) 0.0305(8) Uani 1 1 d . . .
C52 C 0.50891(16) 0.7712(4) 1.40643(16) 0.0358(9) Uani 1 1 d . . .
N1 N -0.19190(13) -0.0464(3) 0.20554(13) 0.0317(7) Uani 1 1 d . . .
N2 N -0.19503(13) 0.0082(3) 0.53098(13) 0.0292(6) Uani 1 1 d . . .
N3 N -0.01883(11) 0.3607(3) 0.84787(12) 0.0246(6) Uani 1 1 d . . .
N4 N 0.0000 0.7086(4) 0.7500 0.0308(9) Uani 1 2 d S . .
N5 N 0.24052(13) 0.6562(3) 0.60927(13) 0.0335(7) Uani 1 1 d . . .
N6 N 0.24304(13) 0.6587(3) 0.78492(13) 0.0324(7) Uani 1 1 d . . .
N7 N 0.27810(13) 0.6934(3) 1.11994(13) 0.0312(7) Uani 1 1 d . . .
N8 N 0.27275(13) 0.6817(3) 1.29285(13) 0.0339(7) Uani 1 1 d . . .
N9 N 0.45229(11) 0.9022(3) 1.32210(12) 0.0259(6) Uani 1 1 d . . .
N10 N 0.5000 0.5349(3) 1.2500 0.0226(8) Uani 1 2 d S . .
O1 O -0.10317(11) 0.1591(2) 0.62408(11) 0.0395(6) Uani 1 1 d . . .
O2 O -0.06605(10) 0.2954(2) 0.70310(10) 0.0312(5) Uani 1 1 d . . .
O3 O 0.05511(11) 0.5713(2) 0.84825(11) 0.0389(6) Uani 1 1 d . . .
O4 O 0.07790(12) 0.7415(3) 0.91151(12) 0.0502(7) Uani 1 1 d . . .
O5 O 0.08871(11) 0.5342(2) 0.71880(11) 0.0370(6) Uani 1 1 d . . .
O6 O 0.14977(12) 0.5178(3) 0.65557(13) 0.0574(9) Uani 1 1 d . . .
O7 O 0.34751(10) 0.5005(2) 1.22480(11) 0.0307(5) Uani 1 1 d . . .
O8 O 0.40506(10) 0.6717(2) 1.24131(11) 0.0286(5) Uani 1 1 d . . .
O9 O 0.52367(11) 0.7107(2) 1.36296(11) 0.0361(6) Uani 1 1 d . . .
O10 O 0.52557(15) 0.7454(3) 1.46492(12) 0.0610(9) Uani 1 1 d . . .
O11 O 0.43053(11) 0.9372(2) 1.19782(11) 0.0339(6) Uani 1 1 d . . .
O12 O 0.36570(11) 1.0910(2) 1.19884(13) 0.0422(6) Uani 1 1 d . . .
O13 O 0.41985(18) 0.4910(5) 0.4948(2) 0.1011(14) Uani 1 1 d D . .
O14 O 0.3934(2) 0.0466(6) 0.06216(19) 0.1091(16) Uani 1 1 d D . .
O15 O 0.4641(3) 0.2737(5) 0.0588(3) 0.1261(19) Uani 1 1 d D . .
O16 O 0.4535(4) 0.4770(5) 0.3829(3) 0.153(3) Uani 1 1 d D . .
H1W H 0.4385(18) 0.488(6) 0.5328(6) 0.080 Uiso 1 1 d D . .
H2W H 0.4384(18) 0.472(6) 0.4689(15) 0.080 Uiso 1 1 d D . .
H3W H 0.398(2) -0.007(3) 0.0901(17) 0.080 Uiso 1 1 d D . .
H4W H 0.411(2) 0.113(3) 0.075(2) 0.080 Uiso 1 1 d D . .
H5W H 0.477(2) 0.270(4) 0.0274(17) 0.080 Uiso 1 1 d D . .
H6W H 0.458(2) 0.344(2) 0.071(2) 0.080 Uiso 1 1 d D . .
H7W H 0.440(2) 0.410(4) 0.365(2) 0.080 Uiso 1 1 d D . .
H8W H 0.4892(6) 0.474(14) 0.400(9) 0.080 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 Eu1 O11 90.87(12) 2_657 . ?
O11 Eu1 O9 77.50(9) 2_657 . ?
O11 Eu1 O9 127.28(8) . . ?
O11 Eu1 O9 127.28(8) 2_657 2_657 ?
O11 Eu1 O9 77.50(9) . 2_657 ?
O9 Eu1 O9 147.80(12) . 2_657 ?
O11 Eu1 O8 147.05(8) 2_657 . ?
O11 Eu1 O8 77.50(8) . . ?
O9 Eu1 O8 85.25(9) . . ?
O9 Eu1 O8 80.60(8) 2_657 . ?
O11 Eu1 O8 77.50(8) 2_657 2_657 ?
O11 Eu1 O8 147.05(8) . 2_657 ?
O9 Eu1 O8 80.60(8) . 2_657 ?
O9 Eu1 O8 85.25(8) 2_657 2_657 ?
O8 Eu1 O8 127.32(11) . 2_657 ?
O11 Eu1 N10 134.57(6) 2_657 . ?
O11 Eu1 N10 134.57(6) . . ?
O9 Eu1 N10 73.90(6) . . ?
O9 Eu1 N10 73.90(6) 2_657 . ?
O8 Eu1 N10 63.66(5) . . ?
O8 Eu1 N10 63.66(5) 2_657 . ?
O11 Eu1 N9 72.57(8) 2_657 . ?
O11 Eu1 N9 63.83(8) . . ?
O9 Eu1 N9 63.62(8) . . ?
O9 Eu1 N9 137.48(9) 2_657 . ?
O8 Eu1 N9 74.64(8) . . ?
O8 Eu1 N9 137.15(8) 2_657 . ?
N10 Eu1 N9 121.85(6) . . ?
O11 Eu1 N9 63.83(8) 2_657 2_657 ?
O11 Eu1 N9 72.57(8) . 2_657 ?
O9 Eu1 N9 137.48(9) . 2_657 ?
O9 Eu1 N9 63.62(8) 2_657 2_657 ?
O8 Eu1 N9 137.15(8) . 2_657 ?
O8 Eu1 N9 74.64(8) 2_657 2_657 ?
N10 Eu1 N9 121.85(6) . 2_657 ?
N9 Eu1 N9 116.30(13) . 2_657 ?
O3 Eu2 O3 127.78(13) . 2_556 ?
O3 Eu2 O2 145.94(8) . . ?
O3 Eu2 O2 80.28(9) 2_556 . ?
O3 Eu2 O2 80.28(9) . 2_556 ?
O3 Eu2 O2 145.94(8) 2_556 2_556 ?
O2 Eu2 O2 82.91(12) . 2_556 ?
O3 Eu2 O5 86.50(9) . 2_556 ?
O3 Eu2 O5 79.56(8) 2_556 2_556 ?
O2 Eu2 O5 79.83(8) . 2_556 ?
O2 Eu2 O5 126.10(8) 2_556 2_556 ?
O3 Eu2 O5 79.56(9) . . ?
O3 Eu2 O5 86.50(9) 2_556 . ?
O2 Eu2 O5 126.10(8) . . ?
O2 Eu2 O5 79.83(8) 2_556 . ?
O5 Eu2 O5 148.05(12) 2_556 . ?
O3 Eu2 N4 63.89(6) . . ?
O3 Eu2 N4 63.89(6) 2_556 . ?
O2 Eu2 N4 138.54(6) . . ?
O2 Eu2 N4 138.54(6) 2_556 . ?
O5 Eu2 N4 74.02(6) 2_556 . ?
O5 Eu2 N4 74.02(6) . . ?
O3 Eu2 N3 138.95(9) . 2_556 ?
O3 Eu2 N3 69.10(9) 2_556 2_556 ?
O2 Eu2 N3 63.26(8) . 2_556 ?
O2 Eu2 N3 76.90(8) 2_556 2_556 ?
O5 Eu2 N3 134.40(8) 2_556 2_556 ?
O5 Eu2 N3 63.18(8) . 2_556 ?
N4 Eu2 N3 116.83(6) . 2_556 ?
O3 Eu2 N3 69.10(9) . . ?
O3 Eu2 N3 138.95(9) 2_556 . ?
O2 Eu2 N3 76.90(8) . . ?
O2 Eu2 N3 63.26(8) 2_556 . ?
O5 Eu2 N3 63.18(8) 2_556 . ?
O5 Eu2 N3 134.40(8) . . ?
N4 Eu2 N3 116.83(6) . . ?
N3 Eu2 N3 126.34(12) 2_556 . ?
N7 Cu1 N8 159.71(12) . . ?
N7 Cu1 O7 98.73(10) . . ?
N8 Cu1 O7 100.77(11) . . ?
N6 Cu2 N5 159.21(13) . . ?
N6 Cu2 O6 109.80(12) . . ?
N5 Cu2 O6 90.65(12) . . ?
N1 Cu3 N2 163.98(12) 4_556 . ?
N1 Cu3 O1 103.88(11) 4_556 . ?
N2 Cu3 O1 91.08(11) . . ?
N1 C1 C3 123.5(3) . . ?
N1 C1 H1 118.2 . . ?
C3 C1 H1 118.2 . . ?
N1 C2 C4 122.8(3) . . ?
N1 C2 H2 118.6 . . ?
C4 C2 H2 118.6 . . ?
C1 C3 C5 119.8(3) . . ?
C1 C3 H3 120.1 . . ?
C5 C3 H3 120.1 . . ?
C2 C4 C5 120.5(3) . . ?
C2 C4 H4 119.7 . . ?
C5 C4 H4 119.7 . . ?
C4 C5 C3 116.5(3) . . ?
C4 C5 C6 121.6(3) . . ?
C3 C5 C6 121.9(3) . . ?
C7 C6 C10 117.0(3) . . ?
C7 C6 C5 122.1(3) . . ?
C10 C6 C5 120.9(3) . . ?
C8 C7 C6 119.6(3) . . ?
C8 C7 H7 120.2 . . ?
C6 C7 H7 120.2 . . ?
N2 C8 C7 123.0(3) . . ?
N2 C8 H8 118.5 . . ?
C7 C8 H8 118.5 . . ?
N2 C9 C10 123.5(3) . . ?
N2 C9 H9 118.3 . . ?
C10 C9 H9 118.3 . . ?
C9 C10 C6 119.7(3) . . ?
C9 C10 H10 120.2 . . ?
C6 C10 H10 120.2 . . ?
O1 C11 O2 126.4(3) . . ?
O1 C11 C12 117.4(3) . 2_556 ?
O2 C11 C12 116.2(3) . 2_556 ?
N3 C12 C13 122.2(3) . . ?
N3 C12 C11 114.5(3) . 2_556 ?
C13 C12 C11 123.2(3) . 2_556 ?
C14 C13 C12 118.4(4) . . ?
C14 C13 H13 120.8 . . ?
C12 C13 H13 120.8 . . ?
C13 C14 C15 119.4(3) . . ?
C13 C14 H14 120.3 . . ?
C15 C14 H14 120.3 . . ?
C16 C15 C14 118.5(3) . . ?
C16 C15 H15 120.8 . . ?
C14 C15 H15 120.8 . . ?
N3 C16 C15 121.7(3) . . ?
N3 C16 C17 114.1(3) . 2_556 ?
C15 C16 C17 124.1(3) . 2_556 ?
O6 C17 O5 127.3(3) . . ?
O6 C17 C16 116.4(3) . 2_556 ?
O5 C17 C16 116.3(3) . 2_556 ?
N4 C18 C20 121.3(4) . . ?
N4 C18 C19 114.8(3) . . ?
C20 C18 C19 123.9(4) . . ?
O4 C19 O3 126.4(4) . . ?
O4 C19 C18 118.2(4) . . ?
O3 C19 C18 115.4(3) . . ?
C21 C20 C18 119.5(5) . . ?
C21 C20 H20 120.3 . . ?
C18 C20 H20 120.3 . . ?
C20 C21 C20 118.6(6) . 2_556 ?
C20 C21 H21 120.7 . . ?
C20 C21 H21 120.7 2_556 . ?
N5 C22 C23 123.0(3) . . ?
N5 C22 H22 118.5 . . ?
C23 C22 H22 118.5 . . ?
C22 C23 C24 119.8(3) . . ?
C22 C23 H23 120.1 . . ?
C24 C23 H23 120.1 . . ?
C25 C24 C23 116.8(3) . . ?
C25 C24 C39 121.5(3) . 1_554 ?
C23 C24 C39 121.7(3) . 1_554 ?
C26 C25 C24 119.7(3) . . ?
C26 C25 H25 120.1 . . ?
C24 C25 H25 120.1 . . ?
N5 C26 C25 123.6(3) . . ?
N5 C26 H26 118.2 . . ?
C25 C26 H26 118.2 . . ?
N6 C27 C29 123.2(3) . . ?
N6 C27 H27 118.4 . . ?
C29 C27 H27 118.4 . . ?
N6 C28 C30 123.0(3) . . ?
N6 C28 H28 118.5 . . ?
C30 C28 H28 118.5 . . ?
C27 C29 C31 120.0(3) . . ?
C27 C29 H29 120.0 . . ?
C31 C29 H29 120.0 . . ?
C28 C30 C31 119.6(3) . . ?
C28 C30 H30 120.2 . . ?
C31 C30 H30 120.2 . . ?
C29 C31 C30 117.0(3) . . ?
C29 C31 C32 121.6(3) . . ?
C30 C31 C32 121.4(3) . . ?
C34 C32 C33 117.3(3) . . ?
C34 C32 C31 122.3(3) . . ?
C33 C32 C31 120.4(3) . . ?
C36 C33 C32 119.3(3) . . ?
C36 C33 H33 120.3 . . ?
C32 C33 H33 120.3 . . ?
C35 C34 C32 119.8(3) . . ?
C35 C34 H34 120.1 . . ?
C32 C34 H34 120.1 . . ?
N7 C35 C34 123.0(3) . . ?
N7 C35 H35 118.5 . . ?
C34 C35 H35 118.5 . . ?
N7 C36 C33 123.6(3) . . ?
N7 C36 H36 118.2 . . ?
C33 C36 H36 118.2 . . ?
N8 C37 C38 123.5(3) . . ?
N8 C37 H37 118.2 . . ?
C38 C37 H37 118.2 . . ?
C37 C38 C39 119.7(3) . . ?
C37 C38 H38 120.2 . . ?
C39 C38 H38 120.2 . . ?
C40 C39 C38 117.0(3) . . ?
C40 C39 C24 121.4(3) . 1_556 ?
C38 C39 C24 121.6(3) . 1_556 ?
C41 C40 C39 119.7(3) . . ?
C41 C40 H40 120.1 . . ?
C39 C40 H40 120.1 . . ?
N8 C41 C40 123.2(4) . . ?
N8 C41 H41 118.4 . . ?
C40 C41 H41 118.4 . . ?
O7 C42 O8 124.3(3) . . ?
O7 C42 C43 118.5(3) . . ?
O8 C42 C43 117.1(3) . . ?
N10 C43 C44 122.0(3) . . ?
N10 C43 C42 114.4(3) . . ?
C44 C43 C42 123.6(3) . . ?
C45 C44 C43 118.4(4) . . ?
C45 C44 H44 120.8 . . ?
C43 C44 H44 120.8 . . ?
C44 C45 C44 119.9(5) . 2_657 ?
C44 C45 H45 120.0 . . ?
C44 C45 H45 120.0 2_657 . ?
O12 C46 O11 126.0(3) . . ?
O12 C46 C47 118.6(3) . . ?
O11 C46 C47 115.4(3) . . ?
N9 C47 C48 121.5(3) . . ?
N9 C47 C46 115.2(3) . . ?
C48 C47 C46 123.3(3) . . ?
C49 C48 C47 118.6(4) . . ?
C49 C48 H48 120.7 . . ?
C47 C48 H48 120.7 . . ?
C48 C49 C50 119.9(4) . . ?
C48 C49 H49 120.0 . . ?
C50 C49 H49 120.0 . . ?
C49 C50 C51 118.5(4) . . ?
C49 C50 H50 120.7 . . ?
C51 C50 H50 120.7 . . ?
N9 C51 C50 121.0(3) . . ?
N9 C51 C52 114.5(3) . . ?
C50 C51 C52 124.5(3) . . ?
O10 C52 O9 124.7(4) . . ?
O10 C52 C51 118.6(3) . . ?
O9 C52 C51 116.7(3) . . ?
C2 N1 C1 116.7(3) . . ?
C2 N1 Cu3 121.5(2) . 4 ?
C1 N1 Cu3 121.7(2) . 4 ?
C9 N2 C8 117.1(3) . . ?
C9 N2 Cu3 117.2(2) . . ?
C8 N2 Cu3 125.2(2) . . ?
C12 N3 C16 119.6(3) . . ?
C12 N3 Eu2 119.0(2) . . ?
C16 N3 Eu2 119.4(2) . . ?
C18 N4 C18 119.9(5) . 2_556 ?
C18 N4 Eu2 120.1(2) . . ?
C18 N4 Eu2 120.1(2) 2_556 . ?
C26 N5 C22 116.9(3) . . ?
C26 N5 Cu2 122.2(2) . . ?
C22 N5 Cu2 120.7(2) . . ?
C27 N6 C28 117.2(3) . . ?
C27 N6 Cu2 120.7(2) . . ?
C28 N6 Cu2 122.1(2) . . ?
C36 N7 C35 117.0(3) . . ?
C36 N7 Cu1 120.0(2) . . ?
C35 N7 Cu1 122.6(2) . . ?
C37 N8 C41 116.9(3) . . ?
C37 N8 Cu1 122.7(2) . . ?
C41 N8 Cu1 120.0(3) . . ?
C47 N9 C51 120.4(3) . . ?
C47 N9 Eu1 119.6(2) . . ?
C51 N9 Eu1 119.9(2) . . ?
C43 N10 C43 119.3(4) 2_657 . ?
C43 N10 Eu1 120.4(2) 2_657 . ?
C43 N10 Eu1 120.4(2) . . ?
C11 O1 Cu3 148.7(2) . . ?
C11 O2 Eu2 125.1(2) . . ?
C19 O3 Eu2 125.2(2) . . ?
C17 O5 Eu2 125.3(2) . . ?
C17 O6 Cu2 137.0(3) . . ?
C42 O7 Cu1 101.7(2) . . ?
C42 O8 Eu1 124.1(2) . . ?
C52 O9 Eu1 124.6(2) . . ?
C46 O11 Eu1 125.8(2) . . ?
H1W O13 H2W 115(2) . . ?
H3W O14 H4W 113.2(19) . . ?
H5W O15 H6W 117(2) . . ?
H7W O16 H8W 114(5) . . ?
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 O11 2.432(2) 2_657 ?
Eu1 O11 2.432(2) . ?
Eu1 O9 2.457(2) . ?
Eu1 O9 2.457(2) 2_657 ?
Eu1 O8 2.462(2) . ?
Eu1 O8 2.462(2) 2_657 ?
Eu1 N10 2.535(4) . ?
Eu1 N9 2.536(3) . ?
Eu1 N9 2.536(3) 2_657 ?
Eu2 O3 2.431(2) . ?
Eu2 O3 2.431(2) 2_556 ?
Eu2 O2 2.454(2) . ?
Eu2 O2 2.454(2) 2_556 ?
Eu2 O5 2.465(2) 2_556 ?
Eu2 O5 2.465(2) . ?
Eu2 N4 2.518(4) . ?
Eu2 N3 2.552(3) 2_556 ?
Eu2 N3 2.552(3) . ?
Cu1 N7 1.920(3) . ?
Cu1 N8 1.921(3) . ?
Cu1 O7 2.244(2) . ?
Cu2 N6 1.919(3) . ?
Cu2 N5 1.931(3) . ?
Cu2 O6 2.249(3) . ?
Cu3 N1 1.904(3) 4_556 ?
Cu3 N2 1.915(3) . ?
Cu3 O1 2.277(2) . ?
C1 N1 1.347(5) . ?
C1 C3 1.370(5) . ?
C1 H1 0.9300 . ?
C2 N1 1.337(4) . ?
C2 C4 1.374(5) . ?
C2 H2 0.9300 . ?
C3 C5 1.387(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.386(5) . ?
C4 H4 0.9300 . ?
C5 C6 1.484(4) . ?
C6 C7 1.393(5) . ?
C6 C10 1.393(5) . ?
C7 C8 1.377(4) . ?
C7 H7 0.9300 . ?
C8 N2 1.348(4) . ?
C8 H8 0.9300 . ?
C9 N2 1.332(5) . ?
C9 C10 1.375(5) . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
C11 O1 1.243(4) . ?
C11 O2 1.255(4) . ?
C11 C12 1.516(5) 2_556 ?
C12 N3 1.330(4) . ?
C12 C13 1.385(5) . ?
C12 C11 1.516(5) 2_556 ?
C13 C14 1.382(6) . ?
C13 H13 0.9300 . ?
C14 C15 1.389(6) . ?
C14 H14 0.9300 . ?
C15 C16 1.387(5) . ?
C15 H15 0.9300 . ?
C16 N3 1.337(4) . ?
C16 C17 1.513(5) 2_556 ?
C17 O6 1.252(4) . ?
C17 O5 1.253(4) . ?
C17 C16 1.513(5) 2_556 ?
C18 N4 1.332(4) . ?
C18 C20 1.386(6) . ?
C18 C19 1.515(5) . ?
C19 O4 1.238(4) . ?
C19 O3 1.267(4) . ?
C20 C21 1.376(6) . ?
C20 H20 0.9300 . ?
C21 C20 1.376(6) 2_556 ?
C21 H21 0.9300 . ?
C22 N5 1.347(4) . ?
C22 C23 1.374(4) . ?
C22 H22 0.9300 . ?
C23 C24 1.392(5) . ?
C23 H23 0.9300 . ?
C24 C25 1.390(5) . ?
C24 C39 1.487(4) 1_554 ?
C25 C26 1.373(5) . ?
C25 H25 0.9300 . ?
C26 N5 1.333(5) . ?
C26 H26 0.9300 . ?
C27 N6 1.340(5) . ?
C27 C29 1.378(5) . ?
C27 H27 0.9300 . ?
C28 N6 1.351(5) . ?
C28 C30 1.377(5) . ?
C28 H28 0.9300 . ?
C29 C31 1.390(5) . ?
C29 H29 0.9300 . ?
C30 C31 1.402(5) . ?
C30 H30 0.9300 . ?
C31 C32 1.487(4) . ?
C32 C34 1.393(5) . ?
C32 C33 1.394(5) . ?
C33 C36 1.375(5) . ?
C33 H33 0.9300 . ?
C34 C35 1.376(5) . ?
C34 H34 0.9300 . ?
C35 N7 1.351(5) . ?
C35 H35 0.9300 . ?
C36 N7 1.344(5) . ?
C36 H36 0.9300 . ?
C37 N8 1.337(5) . ?
C37 C38 1.376(5) . ?
C37 H37 0.9300 . ?
C38 C39 1.392(5) . ?
C38 H38 0.9300 . ?
C39 C40 1.392(5) . ?
C39 C24 1.487(4) 1_556 ?
C40 C41 1.377(5) . ?
C40 H40 0.9300 . ?
C41 N8 1.347(5) . ?
C41 H41 0.9300 . ?
C42 O7 1.255(4) . ?
C42 O8 1.271(4) . ?
C42 C43 1.501(5) . ?
C43 N10 1.339(4) . ?
C43 C44 1.382(5) . ?
C44 C45 1.381(5) . ?
C44 H44 0.9300 . ?
C45 C44 1.381(5) 2_657 ?
C45 H45 0.9300 . ?
C46 O12 1.240(4) . ?
C46 O11 1.271(4) . ?
C46 C47 1.513(5) . ?
C47 N9 1.332(4) . ?
C47 C48 1.389(5) . ?
C48 C49 1.371(6) . ?
C48 H48 0.9300 . ?
C49 C50 1.388(6) . ?
C49 H49 0.9300 . ?
C50 C51 1.389(5) . ?
C50 H50 0.9300 . ?
C51 N9 1.340(4) . ?
C51 C52 1.509(5) . ?
C52 O10 1.253(4) . ?
C52 O9 1.260(4) . ?
N1 Cu3 1.904(3) 4 ?
N4 C18 1.332(4) 2_556 ?
N10 C43 1.339(4) 2_657 ?
O13 H1W 0.825(10) . ?
O13 H2W 0.824(10) . ?
O14 H3W 0.817(10) . ?
O14 H4W 0.830(10) . ?
O15 H5W 0.814(10) . ?
O15 H6W 0.814(10) . ?
O16 H7W 0.830(17) . ?
O16 H8W 0.83(4) . ?
