#------------------------------------------------------------------------------
#$Date: 2024-02-04 14:01:15 +0200 (Sun, 04 Feb 2024) $
#$Revision: 289520 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/45/7714598.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_7714598
loop_
_publ_author_name
'Jiang, Jiang'
'Li, Zi-Wei'
'Zhang, Zhi-Zhuan'
'Tan, Bin'
'Wu, Zhao-Feng'
'Huang, Xiao-Ying'
_publ_section_title
;
 The {Cu₂I₂} cluster bearing metal organic
 frameworks: crystal structures and fluorescence detecting performances
 towards cysteine and explosive molecules.
;
_journal_issue                   2
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              706
_journal_page_last               714
_journal_paper_doi               10.1039/d3dt03363e
_journal_volume                  53
_journal_year                    2024
_chemical_formula_sum            'C22.95 H22.99 Cu2 Eu I2 N4.78 O7.41'
_chemical_formula_weight         1017.07
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     'intrinsic phasing'
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2023-09-05 deposited with the CCDC.	2023-11-30 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 93.7760(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.2050(6)
_cell_length_b                   8.7121(3)
_cell_length_c                   26.7542(10)
_cell_measurement_reflns_used    9734
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      33.6059
_cell_measurement_theta_min      3.0443
_cell_volume                     3768.9(2)
_computing_cell_refinement       'Bruker SAINT v8.38a'
_computing_data_collection       'Bruker APEX 3'
_computing_data_reduction        'Bruker SAINT v8.38a'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL & local programs'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 7.39
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker D8 with PHOTONII detector'
_diffrn_measurement_method       'ω/θ shutterless scans'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.7288
_diffrn_reflns_av_R_equivalents  0.0605
_diffrn_reflns_av_unetI/netI     0.0348
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            108968
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.930
_diffrn_reflns_theta_max         31.394
_diffrn_reflns_theta_min         1.465
_diffrn_source                   'Advanced Light Source Beamline 12.2.1'
_exptl_absorpt_coefficient_mu    4.713
_exptl_absorpt_correction_T_max  0.734
_exptl_absorpt_correction_T_min  0.521
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2016/2 Bruker AXS Madison WI USA'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.792
_exptl_crystal_description       block
_exptl_crystal_F_000             1922
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.070
_refine_diff_density_max         1.183
_refine_diff_density_min         -1.458
_refine_diff_density_rms         0.183
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     429
_refine_ls_number_reflns         11507
_refine_ls_number_restraints     119
_refine_ls_restrained_S_all      1.097
_refine_ls_R_factor_all          0.0291
_refine_ls_R_factor_gt           0.0262
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0247P)²+4.1778P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0618
_refine_ls_wR_factor_ref         0.0638
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10599
_reflns_number_total             11507
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt03363e2.cif
_cod_data_source_block           Eu-CuI-INA
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_atom_sites_solution_secondary' value 'Difmap' was changed
to 'difmap' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 7714597--7714598.cif.
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7714598
_shelx_shelxl_version_number     2018/1
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.438
_shelx_estimated_absorpt_t_max   0.734
loop_
_space_group_symop_operation_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_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.45169(2) 0.25683(2) 0.49007(2) 0.01076(3) Uani 1 1 d . . . . .
I1 I 0.96672(2) 0.74831(2) 0.61428(2) 0.02105(4) Uani 1 1 d . . . . .
I2 I 1.1082(4) 0.3517(7) 0.7063(2) 0.0202(5) Uani 0.31(2) 1 d . . P . .
I2' I 1.11203(17) 0.3491(3) 0.70344(10) 0.0227(3) Uani 0.69(2) 1 d . . P . .
Cu1 Cu 1.08388(2) 0.66900(3) 0.69437(2) 0.01688(6) Uani 1 1 d . . . . .
Cu2 Cu 0.9766(2) 0.4557(5) 0.65375(11) 0.0153(9) Uani 0.31(2) 1 d . . P . .
Cu2' Cu 0.97188(18) 0.4619(3) 0.65727(13) 0.0408(6) Uani 0.69(2) 1 d . . P . .
N1 N 1.04508(13) 0.7736(2) 0.76179(7) 0.0206(4) Uani 1 1 d . . . . .
C1 C 0.96512(17) 0.8380(4) 0.76621(9) 0.0326(6) Uani 1 1 d . . . . .
H1A H 0.925886 0.831359 0.738304 0.039 Uiso 1 1 calc R U . . .
C2 C 0.94032(17) 0.9146(4) 0.81206(9) 0.0312(6) Uani 1 1 d . . . . .
H2A H 0.886641 0.957536 0.813458 0.037 Uiso 1 1 calc R U . . .
C3 C 1.00080(15) 0.9229(2) 0.85573(8) 0.0185(4) Uani 1 1 d . . . . .
C4 C 1.08304(15) 0.8554(3) 0.85179(8) 0.0197(4) Uani 1 1 d . . . . .
H4A H 1.122951 0.858107 0.879430 0.024 Uiso 1 1 calc R U . . .
C5 C 1.10269(15) 0.7830(3) 0.80395(8) 0.0200(4) Uani 1 1 d . . . . .
H5A H 1.156319 0.740828 0.801365 0.024 Uiso 1 1 calc R U . . .
C6 C 0.97782(15) 1.0110(2) 0.90515(8) 0.0178(4) Uani 1 1 d . . . . .
O1 O 1.02521(11) 0.98643(18) 0.94858(6) 0.0205(3) Uani 1 1 d . . . . .
O2 O 0.91612(11) 1.11061(19) 0.90304(6) 0.0227(3) Uani 1 1 d . . . . .
N2 N 0.86878(14) 0.3333(2) 0.62883(10) 0.0308(5) Uani 1 1 d . . . . .
C7 C 0.80200(17) 0.4145(3) 0.60388(14) 0.0403(8) Uani 1 1 d . . . . .
H7A H 0.805333 0.523193 0.601944 0.048 Uiso 1 1 calc R U . . .
C8 C 0.72820(16) 0.3381(3) 0.58098(13) 0.0357(7) Uani 1 1 d . . . . .
H8A H 0.685164 0.396944 0.564536 0.043 Uiso 1 1 calc R U . . .
C9 C 0.72113(13) 0.1709(3) 0.58358(9) 0.0181(4) Uani 1 1 d . . . . .
C10 C 0.78864(16) 0.0849(3) 0.61060(12) 0.0323(6) Uani 1 1 d . . . . .
H10A H 0.785800 -0.023598 0.613678 0.039 Uiso 1 1 calc R U . . .
C11 C 0.86049(17) 0.1702(3) 0.63269(13) 0.0358(7) Uani 1 1 d . . . . .
H11A H 0.903458 0.114352 0.650385 0.043 Uiso 1 1 calc R U . . .
C12 C 0.64126(13) 0.0877(3) 0.55738(8) 0.0176(4) Uani 1 1 d . . . . .
O3 O 0.57846(10) 0.1766(2) 0.54067(7) 0.0275(4) Uani 1 1 d . . . . .
O4 O 0.64447(10) -0.0652(2) 0.55353(7) 0.0249(4) Uani 1 1 d . . . . .
N3 N 1.19507(12) 0.7782(2) 0.67096(7) 0.0184(4) Uani 1 1 d . . . . .
C13 C 1.18895(15) 0.9278(3) 0.64930(10) 0.0242(5) Uani 1 1 d . . . . .
H13A H 1.140087 0.985656 0.653201 0.029 Uiso 1 1 calc R U . . .
C14 C 1.25480(15) 0.9969(3) 0.62117(10) 0.0232(5) Uani 1 1 d . . . . .
H14A H 1.248476 1.097339 0.607592 0.028 Uiso 1 1 calc R U . . .
C15 C 1.33038(13) 0.9081(2) 0.61445(7) 0.0143(4) Uani 1 1 d . . . . .
C16 C 1.33970(16) 0.7582(3) 0.64003(10) 0.0223(5) Uani 1 1 d . . . . .
H16A H 1.389446 0.701117 0.638671 0.027 Uiso 1 1 calc R U . . .
C17 C 1.27079(14) 0.6983(3) 0.66772(9) 0.0213(4) Uani 1 1 d . . . . .
H17A H 1.277427 0.601907 0.684099 0.026 Uiso 1 1 calc R U . . .
C18 C 1.39957(13) 0.9657(2) 0.57859(7) 0.0147(4) Uani 1 1 d . . . . .
O5 O 1.39048(10) 1.10629(19) 0.55912(6) 0.0222(3) Uani 1 1 d . . . . .
O6 O 1.46010(11) 0.86760(19) 0.57003(7) 0.0236(3) Uani 1 1 d . . . . .
O7 O 0.30845(11) 0.3677(2) 0.49989(7) 0.0257(4) Uani 1 1 d D . . . .
C19 C 0.23893(15) 0.2961(3) 0.50744(9) 0.0266(5) Uani 1 1 d D . . . .
H19A H 0.234700 0.191182 0.497928 0.032 Uiso 1 1 calc R U . . .
N4 N 0.17035(14) 0.3633(3) 0.52858(9) 0.0377(6) Uani 1 1 d D . . . .
C20 C 0.1716(2) 0.5323(5) 0.54418(16) 0.0618(11) Uani 1 1 d D . . . .
H20A H 0.227962 0.572647 0.543155 0.093 Uiso 1 1 calc R U . . .
H20B H 0.153521 0.541553 0.578281 0.093 Uiso 1 1 calc R U . . .
H20C H 0.134272 0.591007 0.521092 0.093 Uiso 1 1 calc R U . . .
C21 C 0.09053(19) 0.2711(5) 0.53631(12) 0.0566(12) Uani 1 1 d D . . . .
H21A H 0.097639 0.164956 0.525244 0.085 Uiso 1 1 calc R U . . .
H21B H 0.043934 0.317988 0.516688 0.085 Uiso 1 1 calc R U . . .
H21C H 0.079488 0.271978 0.571881 0.085 Uiso 1 1 calc R U . . .
O1S O 0.7434(7) 0.2380(12) 0.7628(5) 0.116(4) Uani 0.406(7) 1 d D U P A 1
C1S C 0.8070(6) 0.2959(12) 0.7847(4) 0.072(3) Uani 0.406(7) 1 d D U P A 1
H1S H 0.835625 0.226552 0.807125 0.087 Uiso 0.406(7) 1 calc R U P A 1
N1S N 0.8443(7) 0.4370(17) 0.7833(4) 0.086(3) Uani 0.406(7) 1 d D U P A 1
C2S C 0.8082(11) 0.5582(18) 0.7506(6) 0.107(3) Uani 0.406(7) 1 d D U P A 1
C3S C 0.9212(7) 0.4506(16) 0.8171(4) 0.053(3) Uani 0.406(7) 1 d D U P A 1
N2S N 0.8969(7) 0.4057(15) 0.8040(4) 0.058(3) Uani 0.369(9) 1 d D U P B 2
C4S C 0.8410(11) 0.412(3) 0.7787(8) 0.090(3) Uani 0.369(9) 1 d D U P B 2
C5S C 0.7626(10) 0.475(2) 0.7499(6) 0.109(4) Uani 0.369(9) 1 d D U P B 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0034 0.0017
'XDISP Program in WinGX L.Kissel & R.H.Pratt Acta Cryst A46 170 1990'
H H 0.0000 0.0000
'XDISP Program in WinGX L.Kissel & R.H.Pratt Acta Cryst A46 170 1990'
N N 0.0065 0.0035
'XDISP Program in WinGX L.Kissel & R.H.Pratt Acta Cryst A46 170 1990'
O O 0.0115 0.0064
'XDISP Program in WinGX L.Kissel & R.H.Pratt Acta Cryst A46 170 1990'
Cu Cu 0.3203 1.3289
'XDISP Program in WinGX L.Kissel & R.H.Pratt Acta Cryst A46 170 1990'
I I -0.3993 1.9038
'XDISP Program in WinGX L.Kissel & R.H.Pratt Acta Cryst A46 170 1990'
Eu Eu -0.0914 3.8479
'XDISP Program in WinGX L.Kissel & R.H.Pratt Acta Cryst A46 170 1990'
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
O6 Eu1 O3 74.83(6) 3_766 . ?
O6 Eu1 O4 76.97(6) 3_766 3_656 ?
O3 Eu1 O4 122.01(6) . 3_656 ?
O6 Eu1 O5 121.39(6) 3_766 1_445 ?
O3 Eu1 O5 78.78(6) . 1_445 ?
O4 Eu1 O5 74.52(6) 3_656 1_445 ?
O6 Eu1 O7 143.58(6) 3_766 . ?
O3 Eu1 O7 141.06(6) . . ?
O4 Eu1 O7 76.03(6) 3_656 . ?
O5 Eu1 O7 73.52(6) 1_445 . ?
O6 Eu1 O1 133.09(6) 3_766 2_646 ?
O3 Eu1 O1 78.05(6) . 2_646 ?
O4 Eu1 O1 149.56(5) 3_656 2_646 ?
O5 Eu1 O1 89.13(5) 1_445 2_646 ?
O7 Eu1 O1 74.75(6) . 2_646 ?
O6 Eu1 O2 73.67(6) 3_766 4_575 ?
O3 Eu1 O2 136.99(6) . 4_575 ?
O4 Eu1 O2 77.76(6) 3_656 4_575 ?
O5 Eu1 O2 143.47(5) 1_445 4_575 ?
O7 Eu1 O2 77.07(6) . 4_575 ?
O1 Eu1 O2 103.61(5) 2_646 4_575 ?
O6 Eu1 O1 79.21(5) 3_766 4_575 ?
O3 Eu1 O1 94.74(5) . 4_575 ?
O4 Eu1 O1 127.81(5) 3_656 4_575 ?
O5 Eu1 O1 154.80(5) 1_445 4_575 ?
O7 Eu1 O1 98.78(5) . 4_575 ?
O1 Eu1 O1 65.67(6) 2_646 4_575 ?
O2 Eu1 O1 51.07(5) 4_575 4_575 ?
O6 Eu1 C6 72.29(6) 3_766 4_575 ?
O3 Eu1 C6 115.85(6) . 4_575 ?
O4 Eu1 C6 101.77(6) 3_656 4_575 ?
O5 Eu1 C6 163.37(6) 1_445 4_575 ?
O7 Eu1 C6 89.85(6) . 4_575 ?
O1 Eu1 C6 86.53(5) 2_646 4_575 ?
O2 Eu1 C6 25.09(6) 4_575 4_575 ?
O1 Eu1 C6 26.23(5) 4_575 4_575 ?
Cu2' I1 Cu2 2.83(9) . . ?
Cu2' I1 Cu1 57.66(4) . . ?
Cu2 I1 Cu1 57.98(8) . . ?
Cu2 I2 Cu2' 2.84(9) . . ?
Cu2 I2 Cu1 59.90(16) . . ?
Cu2' I2 Cu1 59.02(14) . . ?
Cu2 I2' Cu2' 2.79(9) . . ?
Cu2 I2' Cu1 59.34(11) . . ?
Cu2' I2' Cu1 58.43(8) . . ?
N1 Cu1 N3 110.54(8) . . ?
N1 Cu1 Cu2' 111.38(11) . . ?
N3 Cu1 Cu2' 137.62(10) . . ?
N1 Cu1 Cu2 114.19(9) . . ?
N3 Cu1 Cu2 134.91(8) . . ?
Cu2' Cu1 Cu2 2.86(10) . . ?
N1 Cu1 I2 111.63(12) . . ?
N3 Cu1 I2 110.62(13) . . ?
Cu2' Cu1 I2 57.98(13) . . ?
Cu2 Cu1 I2 56.91(15) . . ?
N1 Cu1 I2' 113.53(8) . . ?
N3 Cu1 I2' 108.95(8) . . ?
Cu2' Cu1 I2' 58.32(8) . . ?
Cu2 Cu1 I2' 57.13(10) . . ?
I2 Cu1 I2' 2.04(15) . . ?
N1 Cu1 I1 108.08(6) . . ?
N3 Cu1 I1 101.63(6) . . ?
Cu2' Cu1 I1 59.20(5) . . ?
Cu2 Cu1 I1 59.30(8) . . ?
I2 Cu1 I1 113.89(11) . . ?
I2' Cu1 I1 113.47(5) . . ?
N2 Cu2 I2 128.1(2) . . ?
N2 Cu2 I2' 128.2(2) . . ?
I2 Cu2 I2' 2.19(16) . . ?
N2 Cu2 Cu1 164.1(2) . . ?
I2 Cu2 Cu1 63.19(15) . . ?
I2' Cu2 Cu1 63.53(10) . . ?
N2 Cu2 I1 108.59(17) . . ?
I2 Cu2 I1 123.11(19) . . ?
I2' Cu2 I1 122.66(16) . . ?
Cu1 Cu2 I1 62.72(9) . . ?
N2 Cu2' I2 126.51(17) . . ?
N2 Cu2' I2' 126.43(13) . . ?
I2 Cu2' I2' 2.13(15) . . ?
N2 Cu2' Cu1 169.55(18) . . ?
I2 Cu2' Cu1 62.99(13) . . ?
I2' Cu2' Cu1 63.26(7) . . ?
N2 Cu2' I1 109.26(10) . . ?
I2 Cu2' I1 122.23(15) . . ?
I2' Cu2' I1 121.60(10) . . ?
Cu1 Cu2' I1 63.15(5) . . ?
C5 N1 C1 117.78(19) . . ?
C5 N1 Cu1 118.53(15) . . ?
C1 N1 Cu1 123.66(16) . . ?
N1 C1 C2 123.1(2) . . ?
N1 C1 H1A 118.4 . . ?
C2 C1 H1A 118.4 . . ?
C1 C2 C3 118.5(2) . . ?
C1 C2 H2A 120.7 . . ?
C3 C2 H2A 120.7 . . ?
C4 C3 C2 118.83(19) . . ?
C4 C3 C6 121.04(19) . . ?
C2 C3 C6 120.1(2) . . ?
C3 C4 C5 118.8(2) . . ?
C3 C4 H4A 120.6 . . ?
C5 C4 H4A 120.6 . . ?
N1 C5 C4 123.0(2) . . ?
N1 C5 H5A 118.5 . . ?
C4 C5 H5A 118.5 . . ?
O2 C6 O1 121.31(18) . . ?
O2 C6 C3 119.86(19) . . ?
O1 C6 C3 118.76(18) . . ?
O2 C6 Eu1 57.46(10) . 4_676 ?
O1 C6 Eu1 64.79(10) . 4_676 ?
C3 C6 Eu1 167.22(14) . 4_676 ?
C6 O1 Eu1 134.97(13) . 2_656 ?
C6 O1 Eu1 88.98(12) . 4_676 ?
Eu1 O1 Eu1 114.34(6) 2_656 4_676 ?
C6 O2 Eu1 97.44(13) . 4_676 ?
C7 N2 C11 117.1(2) . . ?
C7 N2 Cu2' 117.67(18) . . ?
C11 N2 Cu2' 125.22(17) . . ?
C7 N2 Cu2 118.9(2) . . ?
C11 N2 Cu2 123.84(19) . . ?
Cu2' N2 Cu2 3.70(12) . . ?
N2 C7 C8 123.0(2) . . ?
N2 C7 H7A 118.5 . . ?
C8 C7 H7A 118.5 . . ?
C9 C8 C7 119.7(2) . . ?
C9 C8 H8A 120.1 . . ?
C7 C8 H8A 120.1 . . ?
C8 C9 C10 118.1(2) . . ?
C8 C9 C12 119.50(19) . . ?
C10 C9 C12 122.40(19) . . ?
C11 C10 C9 118.8(2) . . ?
C11 C10 H10A 120.6 . . ?
C9 C10 H10A 120.6 . . ?
N2 C11 C10 123.2(2) . . ?
N2 C11 H11A 118.4 . . ?
C10 C11 H11A 118.4 . . ?
O3 C12 O4 125.9(2) . . ?
O3 C12 C9 117.45(19) . . ?
O4 C12 C9 116.69(18) . . ?
C12 O3 Eu1 158.76(16) . . ?
C12 O4 Eu1 132.09(14) . 3_656 ?
C17 N3 C13 117.44(18) . . ?
C17 N3 Cu1 122.78(15) . . ?
C13 N3 Cu1 118.79(15) . . ?
N3 C13 C14 123.2(2) . . ?
N3 C13 H13A 118.4 . . ?
C14 C13 H13A 118.4 . . ?
C15 C14 C13 119.0(2) . . ?
C15 C14 H14A 120.5 . . ?
C13 C14 H14A 120.5 . . ?
C14 C15 C16 117.99(19) . . ?
C14 C15 C18 121.98(18) . . ?
C16 C15 C18 119.97(18) . . ?
C17 C16 C15 119.2(2) . . ?
C17 C16 H16A 120.4 . . ?
C15 C16 H16A 120.4 . . ?
N3 C17 C16 122.9(2) . . ?
N3 C17 H17A 118.5 . . ?
C16 C17 H17A 118.5 . . ?
O6 C18 O5 125.80(18) . . ?
O6 C18 C15 117.00(18) . . ?
O5 C18 C15 117.19(18) . . ?
C18 O5 Eu1 136.41(14) . 1_665 ?
C18 O6 Eu1 149.02(15) . 3_766 ?
C19 O7 Eu1 129.21(16) . . ?
O7 C19 N4 124.8(3) . . ?
O7 C19 H19A 117.6 . . ?
N4 C19 H19A 117.6 . . ?
C19 N4 C20 120.9(3) . . ?
C19 N4 C21 121.8(3) . . ?
C20 N4 C21 117.3(3) . . ?
N4 C20 H20A 109.5 . . ?
N4 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
N4 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N4 C21 H21A 109.5 . . ?
N4 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
N4 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C1S O1S C2S 142.9(12) . 2_646 ?
O1S C1S N1S 134.1(12) . . ?
O1S C1S H1S 112.9 . . ?
N1S C1S H1S 112.9 . . ?
C1S N1S C2S 120.1(11) . . ?
C1S N1S C3S 113.9(12) . . ?
C2S N1S C3S 126.0(12) . . ?
N1S C2S O1S 155.0(11) . 2_656 ?
N2S C4S C5S 161(2) . . ?
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 O6 2.4714(16) 3_766 ?
Eu1 O3 2.4851(17) . ?
Eu1 O4 2.5176(16) 3_656 ?
Eu1 O5 2.5214(15) 1_445 ?
Eu1 O7 2.5438(17) . ?
Eu1 O1 2.5989(16) 2_646 ?
Eu1 O2 2.6289(16) 4_575 ?
Eu1 O1 2.7981(16) 4_575 ?
Eu1 C6 3.092(2) 4_575 ?
I1 Cu2' 2.746(2) . ?
I1 Cu2 2.760(4) . ?
I1 Cu1 2.8526(3) . ?
I2 Cu2 2.635(7) . ?
I2 Cu2' 2.671(7) . ?
I2 Cu1 2.807(6) . ?
I2' Cu2 2.657(5) . ?
I2' Cu2' 2.698(4) . ?
I2' Cu1 2.831(3) . ?
Cu1 N1 2.1514(19) . ?
Cu1 N3 2.1663(19) . ?
Cu1 Cu2' 2.701(2) . ?
Cu1 Cu2 2.721(4) . ?
Cu2 N2 2.118(4) . ?
Cu2' N2 2.112(3) . ?
N1 C5 1.418(3) . ?
N1 C1 1.424(3) . ?
C1 C2 1.475(3) . ?
C1 H1A 0.9500 . ?
C2 C3 1.477(3) . ?
C2 H2A 0.9500 . ?
C3 C4 1.467(3) . ?
C3 C6 1.594(3) . ?
C4 C5 1.481(3) . ?
C4 H4A 0.9500 . ?
C5 H5A 0.9500 . ?
C6 O2 1.323(3) . ?
C6 O1 1.367(3) . ?
N2 C7 1.422(3) . ?
N2 C11 1.431(4) . ?
C7 C8 1.467(4) . ?
C7 H7A 0.9500 . ?
C8 C9 1.463(4) . ?
C8 H8A 0.9500 . ?
C9 C10 1.475(3) . ?
C9 C12 1.604(3) . ?
C10 C11 1.472(3) . ?
C10 H10A 0.9500 . ?
C11 H11A 0.9500 . ?
C12 O3 1.332(3) . ?
C12 O4 1.337(3) . ?
N3 C17 1.418(3) . ?
N3 C13 1.427(3) . ?
C13 C14 1.474(3) . ?
C13 H13A 0.9500 . ?
C14 C15 1.470(3) . ?
C14 H14A 0.9500 . ?
C15 C16 1.477(3) . ?
C15 C18 1.603(3) . ?
C16 C17 1.476(3) . ?
C16 H16A 0.9500 . ?
C17 H17A 0.9500 . ?
C18 O6 1.332(3) . ?
C18 O5 1.336(3) . ?
O7 C19 1.315(3) . ?
C19 N4 1.407(3) . ?
C19 H19A 0.9500 . ?
N4 C20 1.530(5) . ?
N4 C21 1.548(4) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
O1S C1S 1.258(12) . ?
O1S C2S 1.800(18) 2_646 ?
C1S N1S 1.372(15) . ?
C1S H1S 0.9500 . ?
N1S C2S 1.468(15) . ?
N1S C3S 1.496(13) . ?
N2S C4S 1.097(9) . ?
C4S C5S 1.542(9) . ?
