#------------------------------------------------------------------------------
#$Date: 2020-03-27 00:14:52 +0200 (Fri, 27 Mar 2020) $
#$Revision: 249732 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/51/75/4517516.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_4517516
loop_
_publ_author_name
'Zhang, Yugang'
'Chen, Lanhua'
'Liu, Zhiyong'
'Liu, Wei'
'Yuan, Mengjia'
'Shu, Jie'
'Wang, Ning'
'He, Linwei'
'Zhang, Jiarong'
'Xie, Jian'
'Chen, Xijian'
'Diwu, Juan'
_publ_section_title
;
 Full-Range Ratiometric Detection of D2O in H2O by a Heterobimetallic
 Uranyl/Lanthanide Framework with 4f/5f Bimodal Emission
;
_journal_name_full               'ACS Applied Materials & Interfaces'
_journal_paper_doi               10.1021/acsami.0c02783
_journal_year                    2020
_chemical_formula_moiety         'C12 H12 Eu O46 P6 U6, 2(C8 H20 N), C8 H12 N'
_chemical_formula_sum            'C36 H64 Eu N3 O46 P6 U6'
_chemical_formula_weight         3040.86
_chemical_melting_point          ?
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 92.971(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.485(4)
_cell_length_b                   17.736(6)
_cell_length_c                   34.901(12)
_cell_measurement_reflns_used    7067
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.648
_cell_measurement_theta_min      2.371
_cell_volume                     7100(4)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  BRUKER
_diffrn_measurement_method       graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0476
_diffrn_reflns_av_unetI/netI     0.0359
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       45
_diffrn_reflns_limit_l_min       -45
_diffrn_reflns_number            48400
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.648
_diffrn_reflns_theta_min         2.371
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    14.742
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, BRUKER'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.845
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       bulk
_exptl_crystal_F_000             5496
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   0.643
_exptl_transmission_factor_min   0.360
_refine_diff_density_max         2.440
_refine_diff_density_min         -1.549
_refine_diff_density_rms         0.271
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     444
_refine_ls_number_reflns         8229
_refine_ls_number_restraints     307
_refine_ls_restrained_S_all      1.090
_refine_ls_R_factor_all          0.0482
_refine_ls_R_factor_gt           0.0365
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0279P)²+236.3656P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0798
_refine_ls_wR_factor_ref         0.0840
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7067
_reflns_number_total             8275
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            am0c02783_si_002.cif
_cod_data_source_block           a
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_chemical_melting_point' value 'N/A' was changed to '?' --
the value is undefined or not given.

data item '_exptl_absorpt_correction_type' value 'MULTI-SCAN' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

data item '_exptl_crystal_density_meas' value 'N/A' was changed to
'?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4517516
_shelx_shelxl_version_number     2014/7
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
U1 U 0.54070(3) 0.55114(2) 0.42756(2) 0.01331(7) Uani 1 1 d . U . . .
U2 U 0.29641(3) 0.25435(2) 0.41360(2) 0.01377(7) Uani 1 1 d . U . . .
U3 U 0.22882(3) 0.69801(2) 0.24102(2) 0.01669(8) Uani 1 1 d . U . . .
Eu1 Eu 0.0000 0.92627(3) 0.2500 0.01380(11) Uani 1 2 d S TU P . .
P3 P 0.38439(18) 0.41138(11) 0.47363(5) 0.0135(4) Uani 1 1 d . U . . .
P2 P 0.08219(19) 0.81917(11) 0.17198(6) 0.0157(4) Uani 1 1 d . U . . .
P1 P 0.63785(18) 0.63597(11) 0.34301(6) 0.0152(4) Uani 1 1 d . U . . .
O23 O 0.4685(5) 0.4130(3) 0.50874(15) 0.0173(11) Uani 1 1 d . U . . .
O22 O 0.3861(5) 0.4823(3) 0.44871(15) 0.0162(11) Uani 1 1 d . U . . .
O21 O 0.1188(5) 0.7454(3) 0.19086(17) 0.0234(13) Uani 1 1 d . U . . .
O20 O -0.2118(6) 0.7300(4) 0.19027(18) 0.0294(14) Uani 1 1 d . U . . .
O19 O -0.1133(5) 0.8094(3) 0.22765(17) 0.0234(13) Uani 1 1 d . U . . .
O18 O 0.4847(5) 0.5328(3) 0.29458(16) 0.0197(12) Uani 1 1 d . U . . .
O17 O 0.1440(5) 0.8352(3) 0.13481(15) 0.0164(11) Uani 1 1 d . U . . .
O16 O 0.4415(5) 0.4812(3) 0.37353(16) 0.0222(12) Uani 1 1 d . U . . .
O15 O 0.4013(5) 0.3406(3) 0.44992(15) 0.0182(12) Uani 1 1 d . U . . .
O14 O 0.6371(5) 0.4750(3) 0.43934(16) 0.0218(12) Uani 1 1 d . U . . .
O13 O 0.6787(5) 0.7064(3) 0.36413(16) 0.0219(12) Uani 1 1 d . U . . .
O12 O 0.1657(5) 0.2989(3) 0.52115(16) 0.0194(12) Uani 1 1 d . U . . .
O11 O 0.0948(5) 0.8864(3) 0.19834(16) 0.0213(12) Uani 1 1 d . U . . .
O10 O 0.4469(5) 0.6279(3) 0.41511(16) 0.0196(12) Uani 1 1 d . U . . .
O9 O 0.2939(5) 0.3619(3) 0.55652(15) 0.0175(11) Uani 1 1 d . U . . .
O8 O 0.4187(5) 0.1982(3) 0.40325(17) 0.0235(13) Uani 1 1 d . U . . .
O7 O 0.1199(5) 0.6298(4) 0.24859(18) 0.0277(14) Uani 1 1 d . U . . .
O6 O 0.1726(5) 0.3085(3) 0.42430(16) 0.0217(12) Uani 1 1 d . U . . .
O4 O 0.7113(5) 0.6192(3) 0.30821(15) 0.0178(11) Uani 1 1 d . U . . .
O3 O 0.6348(5) 0.5685(3) 0.37010(15) 0.0169(11) Uani 1 1 d . U . . .
O2 O 0.3409(6) 0.7644(4) 0.2343(2) 0.0363(16) Uani 1 1 d . U . . .
C14 C 0.2314(7) 0.3539(4) 0.5246(2) 0.0160(15) Uani 1 1 d . U . . .
O5 O 0.1913(6) 0.9718(4) 0.27558(19) 0.0343(16) Uani 1 1 d . U . . .
C13 C -0.1377(7) 0.7820(5) 0.1943(2) 0.0213(17) Uani 1 1 d . U . . .
O1 O 0.3585(6) 0.6156(4) 0.2732(2) 0.0362(16) Uani 1 1 d . U . . .
C4 C -0.0729(7) 0.8092(5) 0.1601(2) 0.0225(18) Uani 1 1 d . U . . .
H4B H -0.1051 0.8584 0.1514 0.027 Uiso 1 1 calc R U . . .
H4C H -0.0848 0.7728 0.1387 0.027 Uiso 1 1 calc R U . . .
C3 C 0.4420(7) 0.5968(4) 0.2950(2) 0.0167(16) Uani 1 1 d . U . . .
C2 C 0.2406(7) 0.4118(4) 0.4936(2) 0.0171(16) Uani 1 1 d . U . . .
H2B H 0.2252 0.4624 0.5042 0.021 Uiso 1 1 calc R U . . .
H2C H 0.1806 0.4016 0.4728 0.021 Uiso 1 1 calc R U . . .
N2 N 0.7500 0.2500 0.5000 0.040(3) Uani 1 2 d DS U P . .
N1 N 0.0269(7) 0.4792(5) 0.3547(2) 0.0313(18) Uani 1 1 d . U . . .
C1 C 0.4903(7) 0.6549(5) 0.3230(2) 0.0192(17) Uani 1 1 d . U . . .
H1A H 0.4373 0.6588 0.3444 0.023 Uiso 1 1 calc R U . . .
H1B H 0.4902 0.7044 0.3099 0.023 Uiso 1 1 calc R U . . .
C12 C 0.1746(13) 0.5832(8) 0.3702(4) 0.069(4) Uani 1 1 d D U . . .
H12A H 0.2527 0.5909 0.3823 0.103 Uiso 1 1 calc R U . . .
H12B H 0.1735 0.5997 0.3434 0.103 Uiso 1 1 calc R U . . .
H12C H 0.1178 0.6126 0.3840 0.103 Uiso 1 1 calc R U . . .
C11 C -0.0725(15) 0.5172(10) 0.3723(4) 0.081(5) Uani 1 1 d D U . . .
H11A H -0.1462 0.4986 0.3597 0.097 Uiso 1 1 calc R U . . .
H11B H -0.0677 0.5720 0.3673 0.097 Uiso 1 1 calc R U . . .
C9 C -0.0763(14) 0.5043(9) 0.4161(4) 0.075(4) Uani 1 1 d D U . . .
H9A H -0.1436 0.5308 0.4258 0.112 Uiso 1 1 calc R U . . .
H9B H -0.0831 0.4502 0.4213 0.112 Uiso 1 1 calc R U . . .
H9C H -0.0046 0.5238 0.4290 0.112 Uiso 1 1 calc R U . . .
C8 C 0.1425(15) 0.4983(8) 0.3719(5) 0.083(5) Uani 1 1 d D U . . .
H8B H 0.2018 0.4692 0.3585 0.100 Uiso 1 1 calc R U . . .
H8C H 0.1463 0.4821 0.3991 0.100 Uiso 1 1 calc R U . . .
C7 C 0.0198(16) 0.5014(11) 0.3124(5) 0.095(6) Uani 1 1 d D U . . .
H7B H 0.0328 0.5563 0.3100 0.114 Uiso 1 1 calc R U . . .
H7C H -0.0589 0.4896 0.3010 0.114 Uiso 1 1 calc R U . . .
C6 C 0.1127(15) 0.4579(10) 0.2906(5) 0.086(5) Uani 1 1 d D U . . .
H6B H 0.1075 0.4725 0.2635 0.129 Uiso 1 1 calc R U . . .
H6C H 0.1905 0.4701 0.3018 0.129 Uiso 1 1 calc R U . . .
H6D H 0.0990 0.4036 0.2928 0.129 Uiso 1 1 calc R U . . .
C5 C -0.1033(16) 0.3661(11) 0.3386(6) 0.099(6) Uani 1 1 d . U . . .
H5B H -0.1076 0.3110 0.3404 0.149 Uiso 1 1 calc R U . . .
H5C H -0.1671 0.3886 0.3522 0.149 Uiso 1 1 calc R U . . .
H5D H -0.1100 0.3811 0.3115 0.149 Uiso 1 1 calc R U . . .
C10 C 0.0144(14) 0.3935(9) 0.3567(5) 0.076(4) Uani 1 1 d . U . . .
H10B H 0.0215 0.3773 0.3838 0.091 Uiso 1 1 calc R U . . .
H10C H 0.0785 0.3698 0.3431 0.091 Uiso 1 1 calc R U . . .
C1W C 0.643(2) 0.1303(15) 0.4799(7) 0.138(9) Uani 1 1 d . U . . .
H1W1 H 0.6516 0.0772 0.4728 0.207 Uiso 1 1 calc R U . . .
H1W2 H 0.5967 0.1337 0.5027 0.207 Uiso 1 1 calc R U . . .
H1W3 H 0.6027 0.1576 0.4586 0.207 Uiso 1 1 calc R U . . .
C2W C 0.766(3) 0.1659(10) 0.4888(9) 0.186(12) Uani 1 1 d D U . . .
C3W C 0.685(3) 0.2855(17) 0.4643(7) 0.194(12) Uani 1 1 d D U . . .
C4W C 0.776(3) 0.2857(17) 0.4331(8) 0.172(11) Uani 1 1 d D U . . .
H4W1 H 0.7411 0.3075 0.4094 0.257 Uiso 1 1 calc R U . . .
H4W2 H 0.8436 0.3158 0.4420 0.257 Uiso 1 1 calc R U . . .
H4W3 H 0.8007 0.2338 0.4283 0.257 Uiso 1 1 calc R U . . .
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'
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
U U -9.6767 9.6646 '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'
H H 0.0000 0.0000 '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
O10 U1 O14 178.7(3) . . ?
O10 U1 O22 90.9(2) . . ?
O14 U1 O22 90.3(2) . . ?
O10 U1 O23 88.1(2) . 5_666 ?
O14 U1 O23 92.6(2) . 5_666 ?
O22 U1 O23 76.39(19) . 5_666 ?
O10 U1 O3 89.5(2) . . ?
O14 U1 O3 89.3(2) . . ?
O22 U1 O3 137.61(19) . . ?
O23 U1 O3 145.96(19) 5_666 . ?
O10 U1 O16 87.0(2) . . ?
O14 U1 O16 93.0(2) . . ?
O22 U1 O16 69.41(19) . . ?
O23 U1 O16 145.34(19) 5_666 . ?
O3 U1 O16 68.29(19) . . ?
O10 U1 O9 91.5(2) . 5_666 ?
O14 U1 O9 87.7(2) . 5_666 ?
O22 U1 O9 148.01(18) . 5_666 ?
O23 U1 O9 71.82(18) 5_666 5_666 ?
O3 U1 O9 74.31(18) . 5_666 ?
O16 U1 O9 142.58(18) . 5_666 ?
O6 U2 O8 178.7(3) . . ?
O6 U2 O15 85.7(2) . . ?
O8 U2 O15 95.1(2) . . ?
O6 U2 O13 84.9(2) . 3_445 ?
O8 U2 O13 94.6(2) . 3_445 ?
O15 U2 O13 159.2(2) . 3_445 ?
O6 U2 O17 95.0(2) . 4_545 ?
O8 U2 O17 86.1(2) . 4_545 ?
O15 U2 O17 79.95(19) . 4_545 ?
O13 U2 O17 82.4(2) 3_445 4_545 ?
O6 U2 O12 96.7(2) . 7_556 ?
O8 U2 O12 82.6(2) . 7_556 ?
O15 U2 O12 71.59(19) . 7_556 ?
O13 U2 O12 128.06(19) 3_445 7_556 ?
O17 U2 O12 148.18(19) 4_545 7_556 ?
O6 U2 O9 90.3(2) . 7_556 ?
O8 U2 O9 88.4(2) . 7_556 ?
O15 U2 O9 121.78(18) . 7_556 ?
O13 U2 O9 76.88(19) 3_445 7_556 ?
O17 U2 O9 158.02(18) 4_545 7_556 ?
O12 U2 O9 51.26(18) 7_556 7_556 ?
O6 U2 C14 94.7(2) . 7_556 ?
O8 U2 C14 84.3(2) . 7_556 ?
O15 U2 C14 96.0(2) . 7_556 ?
O13 U2 C14 103.3(2) 3_445 7_556 ?
O17 U2 C14 169.2(2) 4_545 7_556 ?
O12 U2 C14 24.8(2) 7_556 7_556 ?
O9 U2 C14 26.47(19) 7_556 7_556 ?
O2 U3 O7 178.2(3) . . ?
O2 U3 O21 91.8(3) . . ?
O7 U3 O21 89.9(3) . . ?
O2 U3 O1 91.7(3) . . ?
O7 U3 O1 86.5(3) . . ?
O21 U3 O1 157.0(2) . . ?
O2 U3 O4 93.3(3) . 2_655 ?
O7 U3 O4 86.4(2) . 2_655 ?
O21 U3 O4 80.1(2) . 2_655 ?
O1 U3 O4 77.0(2) . 2_655 ?
O2 U3 O20 94.0(3) . 2 ?
O7 U3 O20 85.4(3) . 2 ?
O21 U3 O20 126.3(2) . 2 ?
O1 U3 O20 76.0(2) . 2 ?
O4 U3 O20 152.2(2) 2_655 2 ?
O2 U3 O19 86.7(3) . 2 ?
O7 U3 O19 94.3(2) . 2 ?
O21 U3 O19 76.8(2) . 2 ?
O1 U3 O19 126.2(2) . 2 ?
O4 U3 O19 156.85(19) 2_655 2 ?
O20 U3 O19 50.5(2) 2 2 ?
O2 U3 C13 93.2(3) . 2 ?
O7 U3 C13 87.1(3) . 2 ?
O21 U3 C13 101.5(2) . 2 ?
O1 U3 C13 101.0(2) . 2 ?
O4 U3 C13 173.3(2) 2_655 2 ?
O20 U3 C13 25.0(2) 2 2 ?
O19 U3 C13 25.8(2) 2 2 ?
O11 Eu1 O11 143.7(3) . 2 ?
O11 Eu1 O18 142.7(2) . 3_455 ?
O11 Eu1 O18 71.5(2) 2 3_455 ?
O11 Eu1 O18 71.5(2) . 4 ?
O11 Eu1 O18 142.7(2) 2 4 ?
O18 Eu1 O18 79.6(3) 3_455 4 ?
O11 Eu1 O5 86.2(2) . . ?
O11 Eu1 O5 105.7(2) 2 . ?
O18 Eu1 O5 67.1(2) 3_455 . ?
O18 Eu1 O5 83.5(2) 4 . ?
O11 Eu1 O5 105.7(2) . 2 ?
O11 Eu1 O5 86.2(2) 2 2 ?
O18 Eu1 O5 83.5(2) 3_455 2 ?
O18 Eu1 O5 67.1(2) 4 2 ?
O5 Eu1 O5 141.8(3) . 2 ?
O11 Eu1 O19 74.4(2) . 2 ?
O11 Eu1 O19 76.2(2) 2 2 ?
O18 Eu1 O19 118.90(19) 3_455 2 ?
O18 Eu1 O19 140.04(19) 4 2 ?
O5 Eu1 O19 74.0(2) . 2 ?
O5 Eu1 O19 144.0(2) 2 2 ?
O11 Eu1 O19 76.2(2) . . ?
O11 Eu1 O19 74.4(2) 2 . ?
O18 Eu1 O19 140.04(19) 3_455 . ?
O18 Eu1 O19 118.90(19) 4 . ?
O5 Eu1 O19 144.0(2) . . ?
O5 Eu1 O19 74.0(2) 2 . ?
O19 Eu1 O19 71.1(3) 2 . ?
O11 Eu1 P2 18.06(15) . . ?
O11 Eu1 P2 127.67(15) 2 . ?
O18 Eu1 P2 160.52(14) 3_455 . ?
O18 Eu1 P2 83.88(14) 4 . ?
O5 Eu1 P2 100.89(16) . . ?
O5 Eu1 P2 99.65(16) 2 . ?
O19 Eu1 P2 68.99(14) 2 . ?
O19 Eu1 P2 58.19(14) . . ?
O11 Eu1 P2 127.67(15) . 2 ?
O11 Eu1 P2 18.06(15) 2 2 ?
O18 Eu1 P2 83.88(14) 3_455 2 ?
O18 Eu1 P2 160.52(14) 4 2 ?
O5 Eu1 P2 99.65(16) . 2 ?
O5 Eu1 P2 100.89(16) 2 2 ?
O19 Eu1 P2 58.19(14) 2 2 ?
O19 Eu1 P2 68.99(14) . 2 ?
P2 Eu1 P2 114.05(7) . 2 ?
O23 P3 O15 111.1(3) . . ?
O23 P3 O22 114.6(3) . . ?
O15 P3 O22 111.3(3) . . ?
O23 P3 C2 104.0(3) . . ?
O15 P3 C2 110.8(3) . . ?
O22 P3 C2 104.6(3) . . ?
O11 P2 O21 113.7(3) . . ?
O11 P2 O17 109.6(3) . . ?
O21 P2 O17 113.4(3) . . ?
O11 P2 C4 106.2(4) . . ?
O21 P2 C4 105.2(4) . . ?
O17 P2 C4 108.4(4) . . ?
O11 P2 Eu1 27.8(2) . . ?
O21 P2 Eu1 102.2(2) . . ?
O17 P2 Eu1 135.5(2) . . ?
C4 P2 Eu1 86.0(3) . . ?
O13 P1 O3 111.3(3) . . ?
O13 P1 O4 112.0(3) . . ?
O3 P1 O4 111.5(3) . . ?
O13 P1 C1 107.0(4) . . ?
O3 P1 C1 109.2(4) . . ?
O4 P1 C1 105.6(3) . . ?
P3 O23 U1 136.0(3) . 5_666 ?
P3 O22 U1 130.5(3) . . ?
P2 O21 U3 142.0(4) . . ?
C13 O20 U3 98.5(5) . 2 ?
C13 O19 Eu1 132.2(5) . . ?
C13 O19 U3 90.1(5) . 2 ?
Eu1 O19 U3 137.7(2) . 2 ?
C3 O18 Eu1 138.9(5) . 3_545 ?
P2 O17 U2 131.3(3) . 4 ?
P3 O15 U2 140.7(3) . . ?
P1 O13 U2 145.7(4) . 3 ?
C14 O12 U2 97.7(5) . 7_556 ?
P2 O11 Eu1 134.2(3) . . ?
C14 O9 U1 129.7(5) . 5_666 ?
C14 O9 U2 92.5(4) . 7_556 ?
U1 O9 U2 137.0(2) 5_666 7_556 ?
P1 O4 U3 130.9(3) . 2_655 ?
P1 O3 U1 131.2(3) . . ?
O12 C14 O9 118.4(7) . . ?
O12 C14 C2 122.5(7) . . ?
O9 C14 C2 119.1(7) . . ?
O12 C14 U2 57.5(4) . 7_556 ?
O9 C14 U2 61.0(4) . 7_556 ?
C2 C14 U2 177.1(6) . 7_556 ?
O20 C13 O19 119.6(8) . . ?
O20 C13 C4 120.2(7) . . ?
O19 C13 C4 120.1(7) . . ?
O20 C13 U3 56.5(4) . 2 ?
O19 C13 U3 64.1(4) . 2 ?
C4 C13 U3 166.6(6) . 2 ?
C3 O1 U3 156.8(6) . . ?
C13 C4 P2 111.5(6) . . ?
C13 C4 H4B 109.3 . . ?
P2 C4 H4B 109.3 . . ?
C13 C4 H4C 109.3 . . ?
P2 C4 H4C 109.3 . . ?
H4B C4 H4C 108.0 . . ?
O1 C3 O18 122.3(8) . . ?
O1 C3 C1 117.5(7) . . ?
O18 C3 C1 120.2(7) . . ?
C14 C2 P3 111.8(6) . . ?
C14 C2 H2B 109.3 . . ?
P3 C2 H2B 109.3 . . ?
C14 C2 H2C 109.3 . . ?
P3 C2 H2C 109.3 . . ?
H2B C2 H2C 107.9 . . ?
C3W N2 C3W 179.996(11) . 7_656 ?
C3W N2 C2W 75.9(12) . 7_656 ?
C3W N2 C2W 104.1(12) 7_656 7_656 ?
C3W N2 C2W 104.1(12) . . ?
C3W N2 C2W 75.9(12) 7_656 . ?
C2W N2 C2W 180(2) 7_656 . ?
C8 N1 C11 115.1(11) . . ?
C8 N1 C7 109.7(11) . . ?
C11 N1 C7 106.2(10) . . ?
C8 N1 C10 107.3(10) . . ?
C11 N1 C10 110.9(11) . . ?
C7 N1 C10 107.4(11) . . ?
C3 C1 P1 115.1(6) . . ?
C3 C1 H1A 108.5 . . ?
P1 C1 H1A 108.5 . . ?
C3 C1 H1B 108.5 . . ?
P1 C1 H1B 108.5 . . ?
H1A C1 H1B 107.5 . . ?
C8 C12 H12A 109.5 . . ?
C8 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C8 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N1 C11 C9 113.7(13) . . ?
N1 C11 H11A 108.8 . . ?
C9 C11 H11A 108.8 . . ?
N1 C11 H11B 108.8 . . ?
C9 C11 H11B 108.8 . . ?
H11A C11 H11B 107.7 . . ?
C11 C9 H9A 109.5 . . ?
C11 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C11 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N1 C8 C12 114.9(13) . . ?
N1 C8 H8B 108.5 . . ?
C12 C8 H8B 108.5 . . ?
N1 C8 H8C 108.5 . . ?
C12 C8 H8C 108.5 . . ?
H8B C8 H8C 107.5 . . ?
N1 C7 C6 110.1(14) . . ?
N1 C7 H7B 109.6 . . ?
C6 C7 H7B 109.6 . . ?
N1 C7 H7C 109.6 . . ?
C6 C7 H7C 109.6 . . ?
H7B C7 H7C 108.2 . . ?
C7 C6 H6B 109.5 . . ?
C7 C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C7 C6 H6D 109.5 . . ?
H6B C6 H6D 109.5 . . ?
H6C C6 H6D 109.5 . . ?
C10 C5 H5B 109.5 . . ?
C10 C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C10 C5 H5D 109.5 . . ?
H5B C5 H5D 109.5 . . ?
H5C C5 H5D 109.5 . . ?
N1 C10 C5 112.2(13) . . ?
N1 C10 H10B 109.2 . . ?
C5 C10 H10B 109.2 . . ?
N1 C10 H10C 109.2 . . ?
C5 C10 H10C 109.2 . . ?
H10B C10 H10C 107.9 . . ?
C2W C1W H1W1 109.5 . . ?
C2W C1W H1W2 109.5 . . ?
H1W1 C1W H1W2 109.5 . . ?
C2W C1W H1W3 109.5 . . ?
H1W1 C1W H1W3 109.5 . . ?
H1W2 C1W H1W3 109.5 . . ?
C1W C2W N2 109(2) . . ?
C4W C3W N2 104.5(19) . . ?
C3W C4W H4W1 109.5 . . ?
C3W C4W H4W2 109.5 . . ?
H4W1 C4W H4W2 109.5 . . ?
C3W C4W H4W3 109.5 . . ?
H4W1 C4W H4W3 109.5 . . ?
H4W2 C4W H4W3 109.5 . . ?
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
U1 O10 1.776(6) . ?
U1 O14 1.781(6) . ?
U1 O22 2.308(5) . ?
U1 O23 2.320(5) 5_666 ?
U1 O3 2.347(5) . ?
U1 O16 2.484(6) . ?
U1 O9 2.488(5) 5_666 ?
U2 O6 1.772(6) . ?
U2 O8 1.774(6) . ?
U2 O15 2.290(5) . ?
U2 O13 2.300(6) 3_445 ?
U2 O17 2.344(5) 4_545 ?
U2 O12 2.482(6) 7_556 ?
U2 O9 2.554(5) 7_556 ?
U2 C14 2.918(8) 7_556 ?
U3 O2 1.769(7) . ?
U3 O7 1.770(6) . ?
U3 O21 2.267(6) . ?
U3 O1 2.333(7) . ?
U3 O4 2.346(5) 2_655 ?
U3 O20 2.482(6) 2 ?
U3 O19 2.647(6) 2 ?
U3 C13 2.942(8) 2 ?
Eu1 O11 2.267(6) . ?
Eu1 O11 2.267(6) 2 ?
Eu1 O18 2.459(6) 3_455 ?
Eu1 O18 2.459(6) 4 ?
Eu1 O5 2.464(7) . ?
Eu1 O5 2.464(7) 2 ?
Eu1 O19 2.548(6) 2 ?
Eu1 O19 2.548(6) . ?
Eu1 P2 3.490(2) . ?
Eu1 P2 3.490(2) 2 ?
P3 O23 1.520(6) . ?
P3 O15 1.521(6) . ?
P3 O22 1.530(6) . ?
P3 C2 1.825(8) . ?
P2 O11 1.508(6) . ?
P2 O21 1.514(6) . ?
P2 O17 1.538(6) . ?
P2 C4 1.816(9) . ?
P1 O13 1.513(6) . ?
P1 O3 1.527(6) . ?
P1 O4 1.543(6) . ?
P1 C1 1.831(8) . ?
O23 U1 2.320(5) 5_666 ?
O20 C13 1.258(10) . ?
O20 U3 2.482(6) 2 ?
O19 C13 1.280(10) . ?
O19 U3 2.647(6) 2 ?
O18 C3 1.237(9) . ?
O18 Eu1 2.459(6) 3_545 ?
O17 U2 2.344(5) 4 ?
O13 U2 2.300(6) 3 ?
O12 C14 1.235(9) . ?
O12 U2 2.482(6) 7_556 ?
O9 C14 1.302(9) . ?
O9 U1 2.488(5) 5_666 ?
O9 U2 2.554(5) 7_556 ?
O4 U3 2.346(5) 2_655 ?
C14 C2 1.500(11) . ?
C14 U2 2.918(8) 7_556 ?
C13 C4 1.517(12) . ?
C13 U3 2.943(8) 2 ?
O1 C3 1.238(10) . ?
C4 H4B 0.9900 . ?
C4 H4C 0.9900 . ?
C3 C1 1.506(11) . ?
C2 H2B 0.9900 . ?
C2 H2C 0.9900 . ?
N2 C3W 1.554(17) . ?
N2 C3W 1.554(17) 7_656 ?
N2 C2W 1.556(17) 7_656 ?
N2 C2W 1.556(17) . ?
N1 C8 1.468(18) . ?
N1 C11 1.485(18) . ?
N1 C7 1.53(2) . ?
N1 C10 1.528(18) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C12 C8 1.551(15) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C11 C9 1.549(15) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C8 H8B 0.9900 . ?
C8 H8C 0.9900 . ?
C7 C6 1.547(15) . ?
C7 H7B 0.9900 . ?
C7 H7C 0.9900 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C6 H6D 0.9800 . ?
C5 C10 1.54(2) . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C5 H5D 0.9800 . ?
C10 H10B 0.9900 . ?
C10 H10C 0.9900 . ?
C1W C2W 1.56(4) . ?
C1W H1W1 0.9800 . ?
C1W H1W2 0.9800 . ?
C1W H1W3 0.9800 . ?
C3W C4W 1.546(18) . ?
C4W H4W1 0.9800 . ?
C4W H4W2 0.9800 . ?
C4W H4W3 0.9800 . ?
