#------------------------------------------------------------------------------
#$Date: 2016-03-26 03:46:20 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180195 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/91/7109124.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_7109124
loop_
_publ_author_name
'Xiao-Li Hu'
'Chun-Yi Sun'
'Chao Qin'
'Xin-Long Wang'
'Hai-Ning Wang'
'En-Long Zhou'
'Wen-E Li'
'Zhong-Min Su'
_publ_section_title
;
 Iodine-templated assembly of unprecedented 3d-4f metal-organic frameworks
 as photocatalysts for hydrogen generation
;
_journal_name_full               Chem.Commun.
_journal_page_first              3564
_journal_paper_doi               10.1039/c3cc39173f
_journal_volume                  49
_journal_year                    2013
_chemical_formula_moiety         'C42 H36 Cu5 I8 N6 O34 Eu2'
_chemical_formula_sum            'C42 H36 Cu5 Eu2 I8 N6 O34'
_chemical_formula_weight         2805.59
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 104.799(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.380(2)
_cell_length_b                   13.575(5)
_cell_length_c                   22.507(5)
_cell_measurement_reflns_used    17820
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      1.70
_cell_volume                     3657.0(17)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL-PLUS (Sheldrick, 1990)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       'ω 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  0.0524
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            17820
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    6.577
_exptl_absorpt_correction_T_max  0.2901
_exptl_absorpt_correction_T_min  0.2603
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.548
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2594
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.337
_refine_diff_density_min         -1.058
_refine_diff_density_rms         0.148
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     496
_refine_ls_number_reflns         6443
_refine_ls_number_restraints     84
_refine_ls_restrained_S_all      1.130
_refine_ls_R_factor_all          0.0580
_refine_ls_R_factor_gt           0.0397
_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)+(0.0383P)²+5.7899P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0876
_refine_ls_wR_factor_ref         0.0959
_reflns_number_gt                4982
_reflns_number_total             6443
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3cc39173f.txt
_cod_data_source_block           www1
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7109124
#BEGIN Tags that were not found in dictionaries:
_diffrn_reflns_av_uniti/neti     0.0536
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_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 0.25707(2) 0.49079(2) 0.486865(13) 0.01361(10) Uani 1 1 d . . .
Cu1 Cu 0.01316(6) 0.39810(6) 0.52801(3) 0.01732(18) Uani 1 1 d . . .
Cu2A Cu 0.6143(5) 0.3170(3) 0.2437(2) 0.0320(9) Uani 0.50 1 d PU . 1
Cu2B Cu 0.6215(5) 0.2853(3) 0.2564(2) 0.0306(9) Uani 0.50 1 d PU . 2
Cu3A Cu 0.5065(3) 0.0004(3) 0.51251(12) 0.0151(7) Uani 0.40 1 d PU . 1
Cu3B Cu 0.4820(7) -0.0016(7) 0.4631(4) 0.013(2) Uani 0.10 1 d PU . 2
I1A I 0.0723(3) 0.5575(4) 0.1709(2) 0.0763(8) Uani 0.50 1 d P A 1
I2A I 0.3460(3) 0.5964(2) 0.1766(2) 0.0800(10) Uani 0.40 1 d P B 1
I3A I 0.5876(2) 0.56773(15) 0.17214(13) 0.0673(6) Uani 0.50 1 d P B 1
I4A I 0.8168(4) 0.5690(5) 0.1746(3) 0.0917(11) Uani 0.50 1 d P B 1
I1B I 0.1054(4) 0.5492(5) 0.1684(3) 0.1067(15) Uani 0.50 1 d P C 2
I2B I 0.33469(18) 0.54816(15) 0.17286(10) 0.0729(5) Uani 0.60 1 d P C 2
I3B I 0.5793(2) 0.51535(17) 0.16939(13) 0.0737(6) Uani 0.50 1 d P . 2
I4B I 0.8508(3) 0.5505(4) 0.1734(2) 0.0738(8) Uani 0.50 1 d P D 2
C1 C 0.3911(6) 0.2828(7) 0.2262(3) 0.039(2) Uani 1 1 d . . .
C2 C 0.2826(8) 0.2900(8) 0.2277(4) 0.064(3) Uani 1 1 d U . .
H2A H 0.2260 0.2670 0.1950 0.077 Uiso 1 1 calc R . .
C3 C 0.2574(7) 0.3319(7) 0.2780(4) 0.057(2) Uani 1 1 d U . .
H3A H 0.1836 0.3346 0.2804 0.069 Uiso 1 1 calc R . .
C4 C 0.3404(6) 0.3696(6) 0.3247(3) 0.0313(18) Uani 1 1 d . . .
C5 C 0.4486(6) 0.3636(6) 0.3194(3) 0.0307(18) Uani 1 1 d . . .
H5A H 0.5060 0.3894 0.3506 0.037 Uiso 1 1 calc R . .
C6 C 0.4266(6) 0.2362(7) 0.1746(3) 0.042(2) Uani 1 1 d . . .
C7 C 0.3098(6) 0.4133(5) 0.3789(3) 0.0236(15) Uani 1 1 d . . .
C8 C 0.1551(6) 0.8208(6) 0.2353(3) 0.0358(19) Uani 1 1 d . . .
C9 C 0.0504(6) 0.8158(8) 0.2426(4) 0.060(3) Uani 1 1 d . . .
H9A H -0.0090 0.8459 0.2148 0.073 Uiso 1 1 calc R . .
C10 C 0.0341(6) 0.7645(7) 0.2929(4) 0.046(2) Uani 1 1 d U . .
H10A H -0.0371 0.7603 0.2993 0.055 Uiso 1 1 calc R . .
C11 C 0.1224(5) 0.7201(5) 0.3331(3) 0.0260(16) Uani 1 1 d . . .
C12 C 0.2270(6) 0.7300(6) 0.3226(3) 0.0333(19) Uani 1 1 d . . .
H12A H 0.2882 0.7012 0.3499 0.040 Uiso 1 1 calc R . .
C13 C 0.1849(6) 0.8714(7) 0.1827(3) 0.043(2) Uani 1 1 d . . .
C14 C 0.1111(6) 0.6608(5) 0.3872(3) 0.0231(15) Uani 1 1 d . . .
C15 C 0.2815(6) -0.0354(5) 0.4992(4) 0.0344(18) Uani 1 1 d . . .
C16 C 0.1731(6) -0.0225(6) 0.4998(5) 0.052(3) Uani 1 1 d . . .
H16A H 0.1264 -0.0763 0.4993 0.062 Uiso 1 1 calc R . .
C17 C 0.1336(7) 0.0729(6) 0.5012(4) 0.046(2) Uani 1 1 d . . .
H17A H 0.0598 0.0834 0.5021 0.055 Uiso 1 1 calc R . .
C18 C 0.2027(5) 0.1516(5) 0.5011(3) 0.0241(15) Uani 1 1 d . . .
C19 C 0.3104(6) 0.1327(6) 0.5001(4) 0.0374(19) Uani 1 1 d U . .
H19A H 0.3578 0.1857 0.4997 0.045 Uiso 1 1 calc R . .
C20 C 0.1650(5) 0.2569(5) 0.5015(3) 0.0200(14) Uani 1 1 d . . .
C21 C 0.3368(6) -0.1323(5) 0.4987(4) 0.042(2) Uani 1 1 d . . .
N1 N 0.4740(5) 0.3217(5) 0.2705(3) 0.0325(15) Uani 1 1 d . . .
N2 N 0.2428(5) 0.7800(5) 0.2743(3) 0.0325(15) Uani 1 1 d . . .
N3 N 0.3507(5) 0.0424(4) 0.4997(3) 0.0379(16) Uani 1 1 d U . .
O1 O 0.5295(4) 0.2365(5) 0.1781(2) 0.0479(15) Uani 1 1 d U . .
O2 O 0.3556(4) 0.1985(5) 0.1317(3) 0.0553(17) Uani 1 1 d U . .
O3 O 0.3873(4) 0.4475(4) 0.4228(2) 0.0323(12) Uani 1 1 d . . .
O4 O 0.2116(4) 0.4159(4) 0.3807(2) 0.0312(12) Uani 1 1 d . . .
O5 O 0.1120(5) 0.9152(5) 0.1441(3) 0.0609(17) Uani 1 1 d U . .
O6 O 0.2855(4) 0.8679(4) 0.1806(2) 0.0450(15) Uani 1 1 d . . .
O7 O 0.1948(4) 0.6155(3) 0.4154(2) 0.0261(11) Uani 1 1 d . . .
O8 O 0.0168(4) 0.6627(4) 0.3994(2) 0.0311(12) Uani 1 1 d . . .
O9 O 0.2830(4) -0.2089(4) 0.4970(3) 0.0526(16) Uani 1 1 d U . .
O10 O 0.4378(5) -0.1315(4) 0.4980(3) 0.0553(16) Uani 1 1 d U . .
O11 O 0.0695(4) 0.2705(3) 0.5089(2) 0.0303(12) Uani 1 1 d . . .
O12 O 0.2323(4) 0.3201(3) 0.4947(2) 0.0253(11) Uani 1 1 d . . .
O13 O 0.0559(3) 0.4739(3) 0.46216(17) 0.0147(9) Uani 1 1 d . . .
H9 H 0.0329 0.4445 0.4205 0.022 Uiso 1 1 d R . .
O1W O 0.3997(4) 0.6199(4) 0.5109(3) 0.0402(13) Uani 1 1 d . . .
H1 H 0.4004 0.6562 0.4728 0.060 Uiso 1 1 d R . .
H2 H 0.3819 0.6661 0.5412 0.060 Uiso 1 1 d R . .
O2W O 0.4260(4) 0.4294(4) 0.5593(2) 0.0426(15) Uani 1 1 d . . .
H3 H 0.4903 0.4715 0.5569 0.064 Uiso 1 1 d R . .
H4 H 0.4160 0.4315 0.6016 0.064 Uiso 1 1 d R . .
O3W O 0.2030(4) 0.4469(3) 0.58509(19) 0.0274(11) Uani 1 1 d . . .
H5 H 0.2045 0.5038 0.6130 0.041 Uiso 1 1 d R . .
H6 H 0.2474 0.3920 0.6082 0.041 Uiso 1 1 d R . .
O4W O 0.1788(4) 0.6370(3) 0.5344(2) 0.0326(12) Uani 1 1 d . . .
H7 H 0.2083 0.7019 0.5257 0.049 Uiso 1 1 d R . .
H8 H 0.1874 0.6302 0.5792 0.049 Uiso 1 1 d 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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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
O7 Eu1 O12 137.97(16) . .
O7 Eu1 O13 76.73(14) . .
O12 Eu1 O13 77.13(14) . .
O7 Eu1 O2W 141.65(16) . .
O12 Eu1 O2W 73.74(17) . .
O13 Eu1 O2W 140.84(15) . .
O7 Eu1 O1W 74.02(17) . .
O12 Eu1 O1W 142.18(16) . .
O13 Eu1 O1W 139.50(15) . .
O2W Eu1 O1W 69.56(17) . .
O7 Eu1 O3 85.44(16) . .
O12 Eu1 O3 85.82(16) . .
O13 Eu1 O3 128.63(14) . .
O2W Eu1 O3 74.70(17) . .
O1W Eu1 O3 76.14(17) . .
O7 Eu1 O4 71.61(17) . .
O12 Eu1 O4 70.86(16) . .
O13 Eu1 O4 77.10(14) . .
O2W Eu1 O4 116.07(18) . .
O1W Eu1 O4 118.13(18) . .
O3 Eu1 O4 51.53(14) . .
O7 Eu1 O3W 131.14(15) . .
O12 Eu1 O3W 68.58(15) . .
O13 Eu1 O3W 72.12(14) . .
O2W Eu1 O3W 73.19(15) . .
O1W Eu1 O3W 108.13(17) . .
O3 Eu1 O3W 143.33(16) . .
O4 Eu1 O3W 133.24(16) . .
O7 Eu1 O4W 68.34(16) . .
O12 Eu1 O4W 131.49(15) . .
O13 Eu1 O4W 72.09(14) . .
O2W Eu1 O4W 109.62(18) . .
O1W Eu1 O4W 71.40(16) . .
O3 Eu1 O4W 142.62(16) . .
O4 Eu1 O4W 133.74(16) . .
O3W Eu1 O4W 66.76(15) . .
O7 Eu1 C7 77.78(18) . .
O12 Eu1 C7 76.40(17) . .
O13 Eu1 C7 102.36(16) . .
O2W Eu1 C7 95.65(19) . .
O1W Eu1 C7 98.17(19) . .
O3 Eu1 C7 26.29(16) . .
O4 Eu1 C7 25.26(15) . .
O3W Eu1 C7 144.93(18) . .
O4W Eu1 C7 146.08(17) . .
O7 Eu1 Cu1 106.28(11) . .
O12 Eu1 Cu1 60.15(11) . .
O13 Eu1 Cu1 31.27(9) . .
O2W Eu1 Cu1 109.87(12) . .
O1W Eu1 Cu1 142.89(13) . .
O3 Eu1 Cu1 140.76(11) . .
O4 Eu1 Cu1 95.95(11) . .
O3W Eu1 Cu1 43.09(11) . .
O4W Eu1 Cu1 74.45(11) . .
C7 Eu1 Cu1 118.44(14) . .
O7 Eu1 Cu1 59.73(11) . 3_566
O12 Eu1 Cu1 106.47(11) . 3_566
O13 Eu1 Cu1 30.97(10) . 3_566
O2W Eu1 Cu1 145.01(13) . 3_566
O1W Eu1 Cu1 108.70(11) . 3_566
O3 Eu1 Cu1 140.05(11) . 3_566
O4 Eu1 Cu1 95.93(11) . 3_566
O3W Eu1 Cu1 74.58(10) . 3_566
O4W Eu1 Cu1 43.40(11) . 3_566
C7 Eu1 Cu1 118.73(14) . 3_566
Cu1 Eu1 Cu1 49.58(3) . 3_566
O8 Cu1 O11 88.0(2) 3_566 .
O8 Cu1 O13 95.63(18) 3_566 3_566
O11 Cu1 O13 173.36(19) . 3_566
O8 Cu1 O13 171.9(2) 3_566 .
O11 Cu1 O13 96.69(18) . .
O13 Cu1 O13 80.39(17) 3_566 .
O8 Cu1 Cu1 135.54(15) 3_566 3_566
O11 Cu1 Cu1 136.47(14) . 3_566
O13 Cu1 Cu1 40.32(11) 3_566 3_566
O13 Cu1 Cu1 40.08(11) . 3_566
O8 Cu1 Eu1 135.60(14) 3_566 .
O11 Cu1 Eu1 83.30(13) . .
O13 Cu1 Eu1 97.86(12) 3_566 .
O13 Cu1 Eu1 39.29(11) . .
Cu1 Cu1 Eu1 65.26(3) 3_566 .
O8 Cu1 Eu1 83.36(13) 3_566 3_566
O11 Cu1 Eu1 136.41(14) . 3_566
O13 Cu1 Eu1 39.12(12) 3_566 3_566
O13 Cu1 Eu1 97.58(11) . 3_566
Cu1 Cu1 Eu1 65.16(3) 3_566 3_566
Eu1 Cu1 Eu1 130.42(3) . 3_566
O1 Cu2A O6 165.9(3) . 2_645
O1 Cu2A N2 92.3(3) . 2_645
O6 Cu2A N2 82.3(3) 2_645 2_645
O1 Cu2A N1 84.4(3) . .
O6 Cu2A N1 97.7(3) 2_645 .
N2 Cu2A N1 166.2(3) 2_645 .
O6 Cu2B O1 163.1(3) 2_645 .
O6 Cu2B N2 83.0(3) 2_645 2_645
O1 Cu2B N2 91.4(3) . 2_645
O6 Cu2B N1 97.9(3) 2_645 .
O1 Cu2B N1 83.2(3) . .
N2 Cu2B N1 163.9(3) 2_645 .
Cu3A Cu3A O10 85.1(8) 3_656 3_656
Cu3A Cu3A N3 83.5(7) 3_656 3_656
O10 Cu3A N3 83.8(3) 3_656 3_656
Cu3A Cu3A N3 80.4(7) 3_656 .
O10 Cu3A N3 94.7(3) 3_656 .
N3 Cu3A N3 163.98(16) 3_656 .
Cu3A Cu3A O10 79.0(8) 3_656 .
O10 Cu3A O10 164.04(16) 3_656 .
N3 Cu3A O10 94.3(3) 3_656 .
N3 Cu3A O10 82.7(3) . .
Cu3B Cu3B O10 70.1(7) 3_656 .
Cu3B Cu3B N3 67.8(6) 3_656 .
O10 Cu3B N3 77.6(4) . .
Cu3B Cu3B N3 67.0(6) 3_656 3_656
O10 Cu3B N3 87.3(4) . 3_656
N3 Cu3B N3 134.9(5) . 3_656
Cu3B Cu3B O10 65.0(6) 3_656 3_656
O10 Cu3B O10 135.1(5) . 3_656
N3 Cu3B O10 85.6(4) . 3_656
N3 Cu3B O10 75.6(4) 3_656 3_656
Cu3B Cu3B I3B 173.8(9) 3_656 2_645
O10 Cu3B I3B 115.8(4) . 2_645
N3 Cu3B I3B 111.0(4) . 2_645
N3 Cu3B I3B 113.8(4) 3_656 2_645
O10 Cu3B I3B 109.1(4) 3_656 2_645
I4A I3A I2A 171.76(16) . .
I1B I2B I3B 171.29(18) . .
Cu3B I3B I2B 92.11(19) 2_655 .
N1 C1 C2 121.8(7) . .
N1 C1 C6 115.2(6) . .
C2 C1 C6 122.9(7) . .
C1 C2 C3 119.0(8) . .
C1 C2 H2A 120.5 . .
C3 C2 H2A 120.5 . .
C4 C3 C2 120.4(8) . .
C4 C3 H3A 119.8 . .
C2 C3 H3A 119.8 . .
C3 C4 C5 117.8(6) . .
C3 C4 C7 118.7(6) . .
C5 C4 C7 123.4(6) . .
N1 C5 C4 122.1(6) . .
N1 C5 H5A 118.9 . .
C4 C5 H5A 118.9 . .
O2 C6 O1 123.9(7) . .
O2 C6 C1 119.6(7) . .
O1 C6 C1 116.6(6) . .
O4 C7 O3 121.3(6) . .
O4 C7 C4 119.9(6) . .
O3 C7 C4 118.7(6) . .
O4 C7 Eu1 61.3(3) . .
O3 C7 Eu1 60.1(3) . .
C4 C7 Eu1 177.4(5) . .
N2 C8 C9 123.1(6) . .
N2 C8 C13 112.9(6) . .
C9 C8 C13 124.0(7) . .
C8 C9 C10 118.0(7) . .
C8 C9 H9A 121.0 . .
C10 C9 H9A 121.0 . .
C11 C10 C9 120.2(7) . .
C11 C10 H10A 119.9 . .
C9 C10 H10A 119.9 . .
C10 C11 C12 118.0(6) . .
C10 C11 C14 123.4(6) . .
C12 C11 C14 118.5(6) . .
N2 C12 C11 121.7(6) . .
N2 C12 H12A 119.1 . .
C11 C12 H12A 119.1 . .
O5 C13 O6 123.0(7) . .
O5 C13 C8 119.7(7) . .
O6 C13 C8 117.3(6) . .
O7 C14 O8 126.8(6) . .
O7 C14 C11 116.6(6) . .
O8 C14 C11 116.6(6) . .
C16 C15 N3 121.5(7) . .
C16 C15 C21 125.0(7) . .
N3 C15 C21 113.4(6) . .
C15 C16 C17 118.4(7) . .
C15 C16 H16A 120.8 . .
C17 C16 H16A 120.8 . .
C18 C17 C16 120.3(7) . .
C18 C17 H17A 119.8 . .
C16 C17 H17A 119.8 . .
C19 C18 C17 117.8(6) . .
C19 C18 C20 119.0(6) . .
C17 C18 C20 123.1(6) . .
N3 C19 C18 123.1(7) . .
N3 C19 H19A 118.5 . .
C18 C19 H19A 118.5 . .
O12 C20 O11 127.3(6) . .
O12 C20 C18 116.2(6) . .
O11 C20 C18 116.5(6) . .
O9 C21 O10 122.8(7) . .
O9 C21 C15 120.1(7) . .
O10 C21 C15 117.1(6) . .
C1 N1 C5 118.7(6) . .
C1 N1 Cu2A 109.0(5) . .
C5 N1 Cu2A 132.0(5) . .
C1 N1 Cu2B 110.0(5) . .
C5 N1 Cu2B 130.5(5) . .
Cu2A N1 Cu2B 14.75(17) . .
C8 N2 C12 119.0(6) . .
C8 N2 Cu2B 112.2(5) . 2_655
C12 N2 Cu2B 128.1(5) . 2_655
C8 N2 Cu2A 112.4(5) . 2_655
C12 N2 Cu2A 128.3(5) . 2_655
Cu2B N2 Cu2A 14.83(17) 2_655 2_655
C19 N3 C15 118.8(7) . .
C19 N3 Cu3A 129.4(5) . 3_656
C15 N3 Cu3A 111.1(5) . 3_656
C19 N3 Cu3A 128.7(5) . .
C15 N3 Cu3A 111.7(5) . .
Cu3A N3 Cu3A 16.02(16) 3_656 .
C19 N3 Cu3B 126.8(6) . .
C15 N3 Cu3B 109.1(5) . .
Cu3A N3 Cu3B 14.6(2) 3_656 .
Cu3A N3 Cu3B 30.6(3) . .
C19 N3 Cu3B 125.2(6) . 3_656
C15 N3 Cu3B 110.7(5) . 3_656
Cu3A N3 Cu3B 30.5(3) 3_656 3_656
Cu3A N3 Cu3B 14.5(2) . 3_656
Cu3B N3 Cu3B 45.1(5) . 3_656
C6 O1 Cu2A 113.4(5) . .
C6 O1 Cu2B 114.0(5) . .
Cu2A O1 Cu2B 15.12(17) . .
C7 O3 Eu1 93.7(4) . .
C7 O4 Eu1 93.4(4) . .
C13 O6 Cu2B 113.8(5) . 2_655
C13 O6 Cu2A 113.2(4) . 2_655
Cu2B O6 Cu2A 15.03(17) 2_655 2_655
C14 O7 Eu1 143.7(4) . .
C14 O8 Cu1 123.8(4) . 3_566
C21 O10 Cu3A 113.3(5) . 3_656
C21 O10 Cu3A 113.3(5) . .
Cu3A O10 Cu3A 15.96(16) 3_656 .
C21 O10 Cu3B 112.0(5) . .
Cu3A O10 Cu3B 14.9(2) 3_656 .
Cu3A O10 Cu3B 30.8(3) . .
C21 O10 Cu3B 111.3(6) . 3_656
Cu3A O10 Cu3B 30.1(3) 3_656 3_656
Cu3A O10 Cu3B 14.1(2) . 3_656
Cu3B O10 Cu3B 44.9(5) . 3_656
C20 O11 Cu1 124.3(4) . .
C20 O12 Eu1 143.3(4) . .
Cu1 O13 Cu1 99.61(17) 3_566 .
Cu1 O13 Eu1 109.91(17) 3_566 .
Cu1 O13 Eu1 109.44(17) . .
Cu1 O13 H9 115.6 3_566 .
Cu1 O13 H9 115.5 . .
Eu1 O13 H9 106.6 . .
Eu1 O1W H1 109.3 . .
Eu1 O1W H2 109.3 . .
H1 O1W H2 109.5 . .
Eu1 O2W H3 109.2 . .
Eu1 O2W H4 109.5 . .
H3 O2W H4 109.5 . .
Eu1 O3W H5 113.7 . .
Eu1 O3W H6 113.5 . .
H5 O3W H6 109.5 . .
Eu1 O4W H7 114.1 . .
Eu1 O4W H8 113.6 . .
H7 O4W H8 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 O7 2.326(4) .
Eu1 O12 2.350(4) .
Eu1 O13 2.420(4) .
Eu1 O2W 2.447(5) .
Eu1 O1W 2.448(5) .
Eu1 O3 2.493(4) .
Eu1 O4 2.524(4) .
Eu1 O3W 2.539(4) .
Eu1 O4W 2.559(5) .
Eu1 C7 2.871(6) .
Eu1 Cu1 3.6038(9) .
Eu1 Cu1 3.6065(10) 3_566
Cu1 O8 1.949(4) 3_566
Cu1 O11 1.956(4) .
Cu1 O13 1.974(4) 3_566
Cu1 O13 1.984(4) .
Cu1 Cu1 3.0231(17) 3_566
Cu1 Eu1 3.6065(10) 3_566
Cu2A O1 1.919(7) .
Cu2A O6 1.959(7) 2_645
Cu2A N2 1.979(8) 2_645
Cu2A N1 1.979(8) .
Cu2B O6 1.939(7) 2_645
Cu2B O1 1.952(7) .
Cu2B N2 1.974(8) 2_645
Cu2B N1 1.994(8) .
Cu3A Cu3A 0.545(5) 3_656
Cu3A O10 1.945(7) 3_656
Cu3A N3 1.946(7) 3_656
Cu3A N3 1.961(7) .
Cu3A O10 1.974(7) .
Cu3B Cu3B 1.607(19) 3_656
Cu3B O10 2.061(11) .
Cu3B N3 2.089(11) .
Cu3B N3 2.101(11) 3_656
Cu3B O10 2.139(11) 3_656
Cu3B I3B 2.892(10) 2_645
I2A I3A 3.044(4) .
I3A I4A 2.823(5) .
I1B I2B 2.814(5) .
I2B I3B 3.082(3) .
I3B Cu3B 2.892(10) 2_655
C1 N1 1.343(8) .
C1 C2 1.356(10) .
C1 C6 1.484(9) .
C2 C3 1.372(11) .
C2 H2A 0.9300 .
C3 C4 1.368(11) .
C3 H3A 0.9300 .
C4 C5 1.378(9) .
C4 C7 1.490(9) .
C5 N1 1.346(8) .
C5 H5A 0.9300 .
C6 O2 1.239(8) .
C6 O1 1.256(8) .
C7 O4 1.227(7) .
C7 O3 1.274(7) .
C8 N2 1.330(9) .
C8 C9 1.349(10) .
C8 C13 1.494(9) .
C9 C10 1.386(10) .
C9 H9A 0.9300 .
C10 C11 1.368(10) .
C10 H10A 0.9300 .
C11 C12 1.381(9) .
C11 C14 1.496(9) .
C12 N2 1.338(8) .
C12 H12A 0.9300 .
C13 O5 1.234(9) .
C13 O6 1.259(8) .
C14 O7 1.232(8) .
C14 O8 1.267(7) .
C15 C16 1.356(10) .
C15 N3 1.358(9) .
C15 C21 1.485(10) .
C16 C17 1.388(10) .
C16 H16A 0.9300 .
C17 C18 1.369(10) .
C17 H17A 0.9300 .
C18 C19 1.364(9) .
C18 C20 1.504(9) .
C19 N3 1.325(9) .
C19 H19A 0.9300 .
C20 O12 1.232(7) .
C20 O11 1.250(7) .
C21 O9 1.230(9) .
C21 O10 1.254(8) .
N2 Cu2B 1.974(8) 2_655
N2 Cu2A 1.979(8) 2_655
N3 Cu3A 1.946(7) 3_656
N3 Cu3B 2.101(11) 3_656
O6 Cu2B 1.939(7) 2_655
O6 Cu2A 1.959(7) 2_655
O8 Cu1 1.949(4) 3_566
O10 Cu3A 1.945(7) 3_656
O10 Cu3B 2.139(11) 3_656
O13 Cu1 1.974(4) 3_566
O13 H9 0.9907 .
O1W H1 0.9915 .
O1W H2 0.9919 .
O2W H3 0.9917 .
O2W H4 0.9916 .
O3W H5 0.9918 .
O3W H6 0.9914 .
O4W H7 0.9919 .
O4W H8 0.9912 .
