#------------------------------------------------------------------------------
#$Date: 2020-10-06 13:05:03 +0300 (Tue, 06 Oct 2020) $
#$Revision: 257736 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/94/7059459.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_7059459
loop_
_publ_author_name
'Gao, Wei'
'Zhou, Ai-Mei'
'Wei, Han'
'Wang, Cui-Li'
'Liu, Jie-Ping'
'Zhang, Xiu-Mei'
_publ_section_title
;
 Water-stable LnIII-based coordination polymers displaying slow magnetic
 relaxation and luminescence sensing properties
;
_journal_issue                   17
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              6747
_journal_page_last               6759
_journal_paper_doi               10.1039/D0NJ00828A
_journal_volume                  44
_journal_year                    2020
_chemical_formula_sum            'C42 H34 Eu2 N4 O19'
_chemical_formula_weight         1202.65
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-03-24 deposited with the CCDC.	2020-03-31 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 123.116(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.050(3)
_cell_length_b                   13.653(3)
_cell_length_c                   23.678(3)
_cell_measurement_reflns_used    9954
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.46
_cell_measurement_theta_min      2.31
_cell_volume                     4345.8(14)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0311
_diffrn_reflns_av_unetI/netI     0.0371
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            26886
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.481
_diffrn_reflns_theta_min         2.126
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    2.945
_exptl_absorpt_correction_T_max  0.790
_exptl_absorpt_correction_T_min  0.752
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.838
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2368
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.080
_refine_diff_density_max         0.820
_refine_diff_density_min         -0.557
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     613
_refine_ls_number_reflns         9932
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0312
_refine_ls_R_factor_gt           0.0248
_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)+(0.0225P)²+2.0370P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0556
_refine_ls_wR_factor_ref         0.0584
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8594
_reflns_number_total             9932
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0nj00828a2.cif
_cod_data_source_block           2
_cod_depositor_comments
;Adding full bibliography for 7059455--7059460.cif.

 Adding full bibliography for 7059455--7059460.cif.
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7059459
_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.
;
_shelx_estimated_absorpt_t_min   0.757
_shelx_estimated_absorpt_t_max   0.798
loop_
_space_group_symop_operation_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_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 -0.00109(2) 0.10434(2) 0.15674(2) 0.01729(4) Uani 1 1 d . . . . .
Eu2 Eu 0.18194(2) 0.32494(2) 0.25457(2) 0.01883(4) Uani 1 1 d . . . . .
O1 O 0.27180(15) 0.20035(15) 0.34578(11) 0.0304(5) Uani 1 1 d . . . . .
O2 O 0.11891(15) 0.15652(14) 0.26901(10) 0.0261(4) Uani 1 1 d . . . . .
O3 O -0.00738(17) -0.15954(19) 0.31513(11) 0.0429(6) Uani 1 1 d . . . . .
O4 O 0.10372(16) -0.25283(15) 0.39913(12) 0.0362(5) Uani 1 1 d . . . . .
O5 O 0.40867(15) -0.04069(17) 0.53344(10) 0.0372(5) Uani 1 1 d . . . . .
O6 O 0.16270(19) 0.49463(15) 0.26253(14) 0.0441(6) Uani 1 1 d . . . . .
O7 O 0.08133(16) 0.59854(14) 0.28709(11) 0.0299(5) Uani 1 1 d . . . . .
O8 O 0.02884(16) 0.93399(14) 0.19095(12) 0.0310(5) Uani 1 1 d . . . . .
O9 O 0.14931(17) 1.00211(15) 0.18734(13) 0.0375(6) Uani 1 1 d . . . . .
O10 O 0.37648(18) 0.71356(18) 0.22236(14) 0.0481(7) Uani 1 1 d . . . . .
O11 O 0.11575(14) 0.20151(14) 0.14878(10) 0.0226(4) Uani 1 1 d . . . . .
O12 O 0.27656(15) 0.22001(16) 0.22434(10) 0.0305(5) Uani 1 1 d . . . . .
O13 O 0.16186(15) -0.02050(15) -0.07779(10) 0.0288(5) Uani 1 1 d . . . . .
O14 O 0.05894(16) -0.03886(16) -0.04446(11) 0.0355(5) Uani 1 1 d . . . . .
O15 O 0.40536(16) 0.24225(16) 0.07394(12) 0.0376(6) Uani 1 1 d . . . . .
O16 O 0.13961(18) 0.34448(16) 0.33972(12) 0.0329(5) Uani 1 1 d . . . . .
H16A H 0.0860 0.3726 0.3227 0.049 Uiso 1 1 calc R U . . .
H16C H 0.171(3) 0.383(3) 0.364(2) 0.049 Uiso 1 1 d . U . . .
O17 O 0.2037(2) 0.40194(17) 0.16924(13) 0.0474(7) Uani 1 1 d . . . . .
H17A H 0.1593 0.4421 0.1476 0.071 Uiso 1 1 calc R U . . .
H17B H 0.253(3) 0.421(3) 0.167(2) 0.071 Uiso 1 1 d . U . . .
O18 O 0.34018(18) 0.38810(17) 0.33149(15) 0.0464(7) Uani 1 1 d . . . . .
H18A H 0.3367 0.4478 0.3336 0.070 Uiso 1 1 calc R U . . .
H18C H 0.390(3) 0.358(3) 0.342(2) 0.070 Uiso 1 1 d . U . . .
O19 O 0.8950(4) 0.0363(4) 0.4218(2) 0.1311(18) Uani 1 1 d . . . . .
N1 N 0.3730(3) 0.0346(3) 0.66759(18) 0.0596(9) Uani 1 1 d . . . . .
N2 N 0.5936(2) 0.0635(2) 0.10068(15) 0.0425(7) Uani 1 1 d . . . . .
N3 N 0.4844(2) 0.8155(2) 0.13664(16) 0.0460(8) Uani 1 1 d . . . . .
N4 N 1.0079(3) 0.1550(3) 0.45174(19) 0.0698(11) Uani 1 1 d . . . . .
C1 C 0.2012(2) 0.1425(2) 0.32555(14) 0.0215(6) Uani 1 1 d . . . . .
C2 C 0.2123(2) 0.0572(2) 0.36962(14) 0.0227(6) Uani 1 1 d . . . . .
C3 C 0.1374(2) -0.0123(2) 0.34991(14) 0.0225(6) Uani 1 1 d . . . . .
H3B H 0.0772 -0.0058 0.3086 0.027 Uiso 1 1 calc R U . . .
C4 C 0.1523(2) -0.0911(2) 0.39161(14) 0.0217(6) Uani 1 1 d . . . . .
C5 C 0.2411(2) -0.0983(2) 0.45465(15) 0.0267(7) Uani 1 1 d . . . . .
H5A H 0.2509 -0.1498 0.4834 0.032 Uiso 1 1 calc R U . . .
C6 C 0.3146(2) -0.0281(2) 0.47424(14) 0.0267(6) Uani 1 1 d . . . . .
C7 C 0.3011(2) 0.0488(2) 0.43220(15) 0.0271(6) Uani 1 1 d . . . . .
H7A H 0.3513 0.0949 0.4457 0.033 Uiso 1 1 calc R U . . .
C8 C 0.0768(2) -0.1732(2) 0.36739(15) 0.0246(6) Uani 1 1 d . . . . .
C9 C 0.4237(2) -0.0227(2) 0.59538(15) 0.0319(7) Uani 1 1 d . . . . .
C10 C 0.5171(3) -0.0464(3) 0.65054(18) 0.0467(9) Uani 1 1 d . . . . .
H10A H 0.5653 -0.0733 0.6449 0.056 Uiso 1 1 calc R U . . .
C11 C 0.5368(4) -0.0290(3) 0.7141(2) 0.0633(13) Uani 1 1 d . . . . .
H11A H 0.5986 -0.0442 0.7523 0.076 Uiso 1 1 calc R U . . .
C12 C 0.4632(4) 0.0112(3) 0.7199(2) 0.0661(13) Uani 1 1 d . . . . .
H12A H 0.4774 0.0227 0.7630 0.079 Uiso 1 1 calc R U . . .
C13 C 0.3544(3) 0.0180(3) 0.60544(18) 0.0454(9) Uani 1 1 d . . . . .
H13A H 0.2923 0.0346 0.5680 0.055 Uiso 1 1 calc R U . . .
C14 C 0.2064(2) 0.1937(2) 0.16719(15) 0.0226(6) Uani 1 1 d . . . . .
C15 C 0.2303(2) 0.1606(2) 0.11706(14) 0.0231(6) Uani 1 1 d . . . . .
C16 C 0.1726(2) 0.0924(2) 0.06569(15) 0.0238(6) Uani 1 1 d . . . . .
H16B H 0.1179 0.0630 0.0624 0.029 Uiso 1 1 calc R U . . .
C17 C 0.1980(2) 0.0692(2) 0.01962(14) 0.0240(6) Uani 1 1 d . . . . .
C18 C 0.2780(2) 0.1162(2) 0.02289(16) 0.0277(7) Uani 1 1 d . . . . .
H18B H 0.2942 0.1015 -0.0084 0.033 Uiso 1 1 calc R U . . .
C19 C 0.3326(2) 0.1845(2) 0.07282(16) 0.0268(7) Uani 1 1 d . . . . .
C20 C 0.3107(2) 0.2058(2) 0.12031(15) 0.0269(6) Uani 1 1 d . . . . .
H20A H 0.3496 0.2505 0.1545 0.032 Uiso 1 1 calc R U . . .
C21 C 0.1363(2) -0.0015(2) -0.03700(15) 0.0238(6) Uani 1 1 d . . . . .
C22 C 0.4873(2) 0.1992(2) 0.08010(15) 0.0283(7) Uani 1 1 d . . . . .
C23 C 0.5499(3) 0.2605(3) 0.07317(19) 0.0415(8) Uani 1 1 d . . . . .
H23A H 0.5360 0.3269 0.0646 0.050 Uiso 1 1 calc R U . . .
C24 C 0.6329(3) 0.2205(3) 0.0793(2) 0.0492(10) Uani 1 1 d . . . . .
H24A H 0.6761 0.2598 0.0747 0.059 Uiso 1 1 calc R U . . .
C25 C 0.6519(3) 0.1222(3) 0.09242(18) 0.0450(9) Uani 1 1 d . . . . .
H25A H 0.7078 0.0959 0.0956 0.054 Uiso 1 1 calc R U . . .
C26 C 0.5126(2) 0.1020(2) 0.09515(18) 0.0361(8) Uani 1 1 d . . . . .
H26A H 0.4720 0.0616 0.1017 0.043 Uiso 1 1 calc R U . . .
C27 C 0.1369(2) 0.5785(2) 0.26713(14) 0.0218(6) Uani 1 1 d . . . . .
C28 C 0.1751(2) 0.6627(2) 0.24665(15) 0.0242(6) Uani 1 1 d . . . . .
C29 C 0.1299(2) 0.7537(2) 0.23420(15) 0.0241(6) Uani 1 1 d . . . . .
H29A H 0.0756 0.7620 0.2379 0.029 Uiso 1 1 calc R U . . .
C30 C 0.1656(2) 0.8328(2) 0.21612(16) 0.0271(7) Uani 1 1 d . . . . .
C31 C 0.2487(3) 0.8214(2) 0.21279(19) 0.0362(8) Uani 1 1 d . . . . .
H31A H 0.2752 0.8745 0.2032 0.043 Uiso 1 1 calc R U . . .
C32 C 0.2915(2) 0.7292(2) 0.22408(19) 0.0355(8) Uani 1 1 d . . . . .
C33 C 0.2556(2) 0.6499(2) 0.24004(16) 0.0289(7) Uani 1 1 d . . . . .
H33A H 0.2845 0.5885 0.2464 0.035 Uiso 1 1 calc R U . . .
C34 C 0.1129(2) 0.9287(2) 0.19762(16) 0.0266(6) Uani 1 1 d . . . . .
C35 C 0.3783(2) 0.7553(2) 0.16986(17) 0.0305(7) Uani 1 1 d . . . . .
C36 C 0.2967(3) 0.7742(3) 0.1070(2) 0.0459(9) Uani 1 1 d . . . . .
H36A H 0.2332 0.7591 0.0966 0.055 Uiso 1 1 calc R U . . .
C37 C 0.3096(3) 0.8161(3) 0.0593(2) 0.0504(10) Uani 1 1 d . . . . .
H37A H 0.2553 0.8298 0.0162 0.061 Uiso 1 1 calc R U . . .
C38 C 0.4047(3) 0.8370(3) 0.0768(2) 0.0520(10) Uani 1 1 d . . . . .
H38A H 0.4134 0.8676 0.0453 0.062 Uiso 1 1 calc R U . . .
C39 C 0.4712(2) 0.7755(3) 0.18251(18) 0.0365(8) Uani 1 1 d . . . . .
H39A H 0.5269 0.7606 0.2248 0.044 Uiso 1 1 calc R U . . .
C40 C 1.0866(5) 0.1950(5) 0.4447(4) 0.133(3) Uani 1 1 d . . . . .
H40A H 1.1118 0.2544 0.4704 0.199 Uiso 1 1 calc R U . . .
H40B H 1.1395 0.1482 0.4610 0.199 Uiso 1 1 calc R U . . .
H40C H 1.0600 0.2087 0.3981 0.199 Uiso 1 1 calc R U . . .
C41 C 0.9851(5) 0.2099(6) 0.4935(3) 0.129(3) Uani 1 1 d . . . . .
H41A H 1.0271 0.2666 0.5110 0.193 Uiso 1 1 calc R U . . .
H41B H 0.9167 0.2301 0.4672 0.193 Uiso 1 1 calc R U . . .
H41C H 0.9961 0.1696 0.5303 0.193 Uiso 1 1 calc R U . . .
C42 C 0.9632(4) 0.0729(4) 0.4200(3) 0.0859(17) Uani 1 1 d . . . . .
H42A H 0.9846 0.0415 0.3953 0.103 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'
Eu Eu -0.1578 3.6682 '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'
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
O7 Eu1 O2 74.48(8) 2_545 . ?
O7 Eu1 O11 140.88(7) 2_545 . ?
O2 Eu1 O11 74.41(7) . . ?
O7 Eu1 O8 81.10(7) 2_545 1_545 ?
O2 Eu1 O8 91.27(7) . 1_545 ?
O11 Eu1 O8 122.62(7) . 1_545 ?
O7 Eu1 O4 85.14(8) 2_545 2 ?
O2 Eu1 O4 105.19(7) . 2 ?
O11 Eu1 O4 80.73(7) . 2 ?
O8 Eu1 O4 154.88(7) 1_545 2 ?
O7 Eu1 O14 127.78(7) 2_545 3 ?
O2 Eu1 O14 155.88(7) . 3 ?
O11 Eu1 O14 88.02(7) . 3 ?
O8 Eu1 O14 84.33(8) 1_545 3 ?
O4 Eu1 O14 87.69(8) 2 3 ?
O7 Eu1 O13 74.96(7) 2_545 3 ?
O2 Eu1 O13 148.12(7) . 3 ?
O11 Eu1 O13 137.16(7) . 3 ?
O8 Eu1 O13 75.19(7) 1_545 3 ?
O4 Eu1 O13 81.00(7) 2 3 ?
O14 Eu1 O13 52.83(7) 3 3 ?
O7 Eu1 O9 124.28(7) 2_545 1_545 ?
O2 Eu1 O9 77.42(8) . 1_545 ?
O11 Eu1 O9 70.19(7) . 1_545 ?
O8 Eu1 O9 52.43(7) 1_545 1_545 ?
O4 Eu1 O9 149.07(7) 2 1_545 ?
O14 Eu1 O9 81.16(8) 3 1_545 ?
O13 Eu1 O9 113.41(7) 3 1_545 ?
O18 Eu2 O6 73.09(9) . . ?
O18 Eu2 O3 151.89(8) . 2 ?
O6 Eu2 O3 79.07(9) . 2 ?
O18 Eu2 O12 82.00(8) . . ?
O6 Eu2 O12 136.34(8) . . ?
O3 Eu2 O12 122.30(8) 2 . ?
O18 Eu2 O17 84.32(10) . . ?
O6 Eu2 O17 74.34(8) . . ?
O3 Eu2 O17 91.97(9) 2 . ?
O12 Eu2 O17 67.89(8) . . ?
O18 Eu2 O16 89.45(9) . . ?
O6 Eu2 O16 73.87(8) . . ?
O3 Eu2 O16 79.05(8) 2 . ?
O12 Eu2 O16 142.11(7) . . ?
O17 Eu2 O16 148.05(8) . . ?
O18 Eu2 O1 73.07(8) . . ?
O6 Eu2 O1 129.73(8) . . ?
O3 Eu2 O1 124.77(8) 2 . ?
O12 Eu2 O1 72.45(7) . . ?
O17 Eu2 O1 136.52(8) . . ?
O16 Eu2 O1 69.75(7) . . ?
O18 Eu2 O2 123.88(8) . . ?
O6 Eu2 O2 141.11(7) . . ?
O3 Eu2 O2 76.91(8) 2 . ?
O12 Eu2 O2 82.54(7) . . ?
O17 Eu2 O2 136.20(7) . . ?
O16 Eu2 O2 71.87(7) . . ?
O1 Eu2 O2 50.82(6) . . ?
O18 Eu2 H16C 76.4(8) . . ?
O6 Eu2 H16C 64.5(8) . . ?
O3 Eu2 H16C 88.3(8) 2 . ?
O12 Eu2 H16C 142.5(8) . . ?
O17 Eu2 H16C 138.1(8) . . ?
O16 Eu2 H16C 14.4(8) . . ?
O1 Eu2 H16C 72.1(8) . . ?
O2 Eu2 H16C 84.5(8) . . ?
C1 O1 Eu2 97.18(17) . . ?
C1 O2 Eu1 149.76(18) . . ?
C1 O2 Eu2 90.92(16) . . ?
Eu1 O2 Eu2 104.60(7) . . ?
C8 O3 Eu2 155.0(2) . 2_545 ?
C8 O4 Eu1 117.39(19) . 2_545 ?
C9 O5 C6 120.8(2) . . ?
C27 O6 Eu2 167.6(2) . . ?
C27 O7 Eu1 165.4(2) . 2 ?
C34 O8 Eu1 95.68(17) . 1_565 ?
C34 O9 Eu1 91.36(18) . 1_565 ?
C35 O10 C32 117.5(3) . . ?
C14 O11 Eu1 136.54(17) . . ?
C14 O11 Eu2 86.44(16) . . ?
Eu1 O11 Eu2 101.59(7) . . ?
C14 O12 Eu2 98.52(17) . . ?
C21 O13 Eu1 91.83(17) . 3 ?
C21 O14 Eu1 93.44(17) . 3 ?
C22 O15 C19 120.1(2) . . ?
Eu2 O16 H16A 109.5 . . ?
Eu2 O16 H16C 109(3) . . ?
H16A O16 H16C 97.8 . . ?
Eu2 O17 H17A 109.5 . . ?
Eu2 O17 H17B 137(3) . . ?
H17A O17 H17B 105.8 . . ?
Eu2 O18 H18A 109.5 . . ?
Eu2 O18 H18C 121(3) . . ?
H18A O18 H18C 125.0 . . ?
C12 N1 C13 117.0(4) . . ?
C25 N2 C26 118.3(3) . . ?
C38 N3 C39 118.2(3) . . ?
C42 N4 C41 124.7(5) . . ?
C42 N4 C40 119.0(5) . . ?
C41 N4 C40 116.3(5) . . ?
O1 C1 O2 120.7(3) . . ?
O1 C1 C2 119.1(3) . . ?
O2 C1 C2 120.2(2) . . ?
O1 C1 Eu2 57.89(15) . . ?
O2 C1 Eu2 63.11(14) . . ?
C2 C1 Eu2 172.21(19) . . ?
C7 C2 C3 119.6(3) . . ?
C7 C2 C1 117.8(3) . . ?
C3 C2 C1 122.6(3) . . ?
C4 C3 C2 120.4(3) . . ?
C4 C3 H3B 119.8 . . ?
C2 C3 H3B 119.8 . . ?
C3 C4 C5 119.6(3) . . ?
C3 C4 C8 120.8(3) . . ?
C5 C4 C8 119.4(3) . . ?
C6 C5 C4 119.6(3) . . ?
C6 C5 H5A 120.2 . . ?
C4 C5 H5A 120.2 . . ?
C7 C6 C5 120.9(3) . . ?
C7 C6 O5 118.3(3) . . ?
C5 C6 O5 120.3(3) . . ?
C6 C7 C2 119.8(3) . . ?
C6 C7 H7A 120.1 . . ?
C2 C7 H7A 120.1 . . ?
O3 C8 O4 123.6(3) . . ?
O3 C8 C4 118.2(3) . . ?
O4 C8 C4 118.1(3) . . ?
O5 C9 C13 124.8(3) . . ?
O5 C9 C10 115.7(3) . . ?
C13 C9 C10 119.5(3) . . ?
C11 C10 C9 118.2(4) . . ?
C11 C10 H10A 120.9 . . ?
C9 C10 H10A 120.9 . . ?
C12 C11 C10 118.7(4) . . ?
C12 C11 H11A 120.6 . . ?
C10 C11 H11A 120.6 . . ?
N1 C12 C11 124.0(4) . . ?
N1 C12 H12A 118.0 . . ?
C11 C12 H12A 118.0 . . ?
N1 C13 C9 122.5(4) . . ?
N1 C13 H13A 118.7 . . ?
C9 C13 H13A 118.7 . . ?
O12 C14 O11 122.1(3) . . ?
O12 C14 C15 118.3(3) . . ?
O11 C14 C15 119.4(3) . . ?
O12 C14 Eu2 56.45(14) . . ?
O11 C14 Eu2 67.73(15) . . ?
C15 C14 Eu2 159.27(19) . . ?
C20 C15 C16 119.6(3) . . ?
C20 C15 C14 116.8(3) . . ?
C16 C15 C14 123.5(3) . . ?
C17 C16 C15 119.4(3) . . ?
C17 C16 H16B 120.3 . . ?
C15 C16 H16B 120.3 . . ?
C16 C17 C18 120.3(3) . . ?
C16 C17 C21 120.8(3) . . ?
C18 C17 C21 118.8(3) . . ?
C19 C18 C17 119.5(3) . . ?
C19 C18 H18B 120.3 . . ?
C17 C18 H18B 120.3 . . ?
C18 C19 C20 121.0(3) . . ?
C18 C19 O15 122.1(3) . . ?
C20 C19 O15 116.6(3) . . ?
C19 C20 C15 120.1(3) . . ?
C19 C20 H20A 119.9 . . ?
C15 C20 H20A 119.9 . . ?
O14 C21 O13 121.0(3) . . ?
O14 C21 C17 120.2(3) . . ?
O13 C21 C17 118.8(3) . . ?
O14 C21 Eu1 60.11(15) . 3 ?
O13 C21 Eu1 61.59(15) . 3 ?
C17 C21 Eu1 169.7(2) . 3 ?
O15 C22 C26 124.8(3) . . ?
O15 C22 C23 116.3(3) . . ?
C26 C22 C23 118.9(3) . . ?
C24 C23 C22 118.2(3) . . ?
C24 C23 H23A 120.9 . . ?
C22 C23 H23A 120.9 . . ?
C23 C24 C25 119.7(3) . . ?
C23 C24 H24A 120.1 . . ?
C25 C24 H24A 120.1 . . ?
N2 C25 C24 122.4(3) . . ?
N2 C25 H25A 118.8 . . ?
C24 C25 H25A 118.8 . . ?
N2 C26 C22 122.5(3) . . ?
N2 C26 H26A 118.8 . . ?
C22 C26 H26A 118.8 . . ?
O6 C27 O7 125.3(3) . . ?
O6 C27 C28 117.5(3) . . ?
O7 C27 C28 117.2(2) . . ?
C29 C28 C33 119.8(3) . . ?
C29 C28 C27 119.7(3) . . ?
C33 C28 C27 120.5(2) . . ?
C28 C29 C30 120.3(3) . . ?
C28 C29 H29A 119.9 . . ?
C30 C29 H29A 119.9 . . ?
C31 C30 C29 120.0(3) . . ?
C31 C30 C34 119.4(3) . . ?
C29 C30 C34 120.6(3) . . ?
C30 C31 C32 118.8(3) . . ?
C30 C31 H31A 120.6 . . ?
C32 C31 H31A 120.6 . . ?
C33 C32 C31 122.0(3) . . ?
C33 C32 O10 116.7(3) . . ?
C31 C32 O10 121.3(3) . . ?
C32 C33 C28 119.1(3) . . ?
C32 C33 H33A 120.5 . . ?
C28 C33 H33A 120.5 . . ?
O9 C34 O8 120.5(3) . . ?
O9 C34 C30 120.8(3) . . ?
O8 C34 C30 118.7(3) . . ?
O9 C34 Eu1 62.61(15) . 1_565 ?
O8 C34 Eu1 57.91(14) . 1_565 ?
C30 C34 Eu1 175.8(2) . 1_565 ?
C36 C35 C39 118.6(3) . . ?
C36 C35 O10 125.3(3) . . ?
C39 C35 O10 116.0(3) . . ?
C35 C36 C37 119.1(3) . . ?
C35 C36 H36A 120.5 . . ?
C37 C36 H36A 120.5 . . ?
C38 C37 C36 118.5(4) . . ?
C38 C37 H37A 120.7 . . ?
C36 C37 H37A 120.7 . . ?
N3 C38 C37 122.9(4) . . ?
N3 C38 H38A 118.6 . . ?
C37 C38 H38A 118.6 . . ?
N3 C39 C35 122.6(3) . . ?
N3 C39 H39A 118.7 . . ?
C35 C39 H39A 118.7 . . ?
N4 C40 H40A 109.5 . . ?
N4 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
N4 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
N4 C41 H41A 109.5 . . ?
N4 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
N4 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
O19 C42 N4 123.0(6) . . ?
O19 C42 H42A 118.5 . . ?
N4 C42 H42A 118.5 . . ?
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 O7 2.303(2) 2_545 ?
Eu1 O2 2.385(2) . ?
Eu1 O11 2.3872(18) . ?
Eu1 O8 2.423(2) 1_545 ?
Eu1 O4 2.426(2) 2 ?
Eu1 O14 2.456(2) 3 ?
Eu1 O13 2.488(2) 3 ?
Eu1 O9 2.528(2) 1_545 ?
Eu2 O18 2.336(2) . ?
Eu2 O6 2.358(2) . ?
Eu2 O3 2.359(2) 2 ?
Eu2 O12 2.462(2) . ?
Eu2 O17 2.466(2) . ?
Eu2 O16 2.469(2) . ?
Eu2 O1 2.497(2) . ?
Eu2 O2 2.609(2) . ?
Eu2 H16C 2.80(4) . ?
O1 C1 1.242(3) . ?
O2 C1 1.281(3) . ?
O3 C8 1.251(4) . ?
O3 Eu2 2.359(2) 2_545 ?
O4 C8 1.256(4) . ?
O4 Eu1 2.426(2) 2_545 ?
O5 C9 1.372(4) . ?
O5 C6 1.400(3) . ?
O6 C27 1.242(3) . ?
O7 C27 1.246(3) . ?
O7 Eu1 2.303(2) 2 ?
O8 C34 1.272(3) . ?
O8 Eu1 2.423(2) 1_565 ?
O9 C34 1.249(3) . ?
O9 Eu1 2.528(2) 1_565 ?
O10 C35 1.382(4) . ?
O10 C32 1.403(3) . ?
O11 C14 1.275(3) . ?
O12 C14 1.250(3) . ?
O13 C21 1.266(3) . ?
O13 Eu1 2.488(2) 3 ?
O14 C21 1.262(3) . ?
O14 Eu1 2.456(2) 3 ?
O15 C22 1.373(4) . ?
O15 C19 1.397(3) . ?
O16 H16A 0.8200 . ?
O16 H16C 0.73(4) . ?
O17 H17A 0.8200 . ?
O17 H17B 0.86(4) . ?
O18 H18A 0.8200 . ?
O18 H18C 0.81(4) . ?
O19 C42 1.225(6) . ?
N1 C12 1.332(6) . ?
N1 C13 1.351(5) . ?
N2 C25 1.326(5) . ?
N2 C26 1.341(4) . ?
N3 C38 1.322(5) . ?
N3 C39 1.332(4) . ?
N4 C42 1.321(6) . ?
N4 C41 1.439(6) . ?
N4 C40 1.468(7) . ?
C1 C2 1.509(4) . ?
C2 C7 1.390(4) . ?
C2 C3 1.396(4) . ?
C3 C4 1.390(4) . ?
C3 H3B 0.9300 . ?
C4 C5 1.394(4) . ?
C4 C8 1.516(4) . ?
C5 C6 1.389(4) . ?
C5 H5A 0.9300 . ?
C6 C7 1.380(4) . ?
C7 H7A 0.9300 . ?
C9 C13 1.375(5) . ?
C9 C10 1.386(5) . ?
C10 C11 1.378(6) . ?
C10 H10A 0.9300 . ?
C11 C12 1.375(6) . ?
C11 H11A 0.9300 . ?
C12 H12A 0.9300 . ?
C13 H13A 0.9300 . ?
C14 C15 1.503(4) . ?
C15 C20 1.394(4) . ?
C15 C16 1.405(4) . ?
C16 C17 1.394(4) . ?
C16 H16B 0.9300 . ?
C17 C18 1.398(4) . ?
C17 C21 1.503(4) . ?
C18 C19 1.379(4) . ?
C18 H18B 0.9300 . ?
C19 C20 1.381(4) . ?
C20 H20A 0.9300 . ?
C21 Eu1 2.828(3) 3 ?
C22 C26 1.376(4) . ?
C22 C23 1.385(4) . ?
C23 C24 1.371(5) . ?
C23 H23A 0.9300 . ?
C24 C25 1.374(5) . ?
C24 H24A 0.9300 . ?
C25 H25A 0.9300 . ?
C26 H26A 0.9300 . ?
C27 C28 1.503(4) . ?
C28 C29 1.387(4) . ?
C28 C33 1.393(4) . ?
C29 C30 1.394(4) . ?
C29 H29A 0.9300 . ?
C30 C31 1.387(4) . ?
C30 C34 1.490(4) . ?
C31 C32 1.388(4) . ?
C31 H31A 0.9300 . ?
C32 C33 1.374(4) . ?
C33 H33A 0.9300 . ?
C34 Eu1 2.846(3) 1_565 ?
C35 C36 1.367(5) . ?
C35 C39 1.379(4) . ?
C36 C37 1.381(6) . ?
C36 H36A 0.9300 . ?
C37 C38 1.374(6) . ?
C37 H37A 0.9300 . ?
C38 H38A 0.9300 . ?
C39 H39A 0.9300 . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C42 H42A 0.9300 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Eu2 O1 C1 O2 6.3(3) . . . . ?
Eu2 O1 C1 C2 -171.7(2) . . . . ?
Eu1 O2 C1 O1 115.9(4) . . . . ?
Eu2 O2 C1 O1 -6.0(3) . . . . ?
Eu1 O2 C1 C2 -66.2(4) . . . . ?
Eu2 O2 C1 C2 172.0(2) . . . . ?
Eu1 O2 C1 Eu2 121.9(3) . . . . ?
O1 C1 C2 C7 1.7(4) . . . . ?
O2 C1 C2 C7 -176.3(3) . . . . ?
O1 C1 C2 C3 -178.5(3) . . . . ?
O2 C1 C2 C3 3.6(4) . . . . ?
C7 C2 C3 C4 -1.9(4) . . . . ?
C1 C2 C3 C4 178.3(3) . . . . ?
C2 C3 C4 C5 2.7(4) . . . . ?
C2 C3 C4 C8 -172.6(3) . . . . ?
C3 C4 C5 C6 -1.8(4) . . . . ?
C8 C4 C5 C6 173.6(3) . . . . ?
C4 C5 C6 C7 0.1(5) . . . . ?
C4 C5 C6 O5 -171.9(3) . . . . ?
C9 O5 C6 C7 110.0(3) . . . . ?
C9 O5 C6 C5 -77.8(4) . . . . ?
C5 C6 C7 C2 0.7(5) . . . . ?
O5 C6 C7 C2 172.9(3) . . . . ?
C3 C2 C7 C6 0.2(4) . . . . ?
C1 C2 C7 C6 180.0(3) . . . . ?
Eu2 O3 C8 O4 39.3(7) 2_545 . . . ?
Eu2 O3 C8 C4 -144.2(4) 2_545 . . . ?
Eu1 O4 C8 O3 13.5(4) 2_545 . . . ?
Eu1 O4 C8 C4 -162.98(18) 2_545 . . . ?
C3 C4 C8 O3 -14.1(4) . . . . ?
C5 C4 C8 O3 170.5(3) . . . . ?
C3 C4 C8 O4 162.6(3) . . . . ?
C5 C4 C8 O4 -12.8(4) . . . . ?
C6 O5 C9 C13 -7.2(5) . . . . ?
C6 O5 C9 C10 174.1(3) . . . . ?
O5 C9 C10 C11 179.4(3) . . . . ?
C13 C9 C10 C11 0.6(5) . . . . ?
C9 C10 C11 C12 -0.2(6) . . . . ?
C13 N1 C12 C11 -0.5(7) . . . . ?
C10 C11 C12 N1 0.1(7) . . . . ?
C12 N1 C13 C9 0.9(6) . . . . ?
O5 C9 C13 N1 -179.7(3) . . . . ?
C10 C9 C13 N1 -1.0(6) . . . . ?
Eu2 O12 C14 O11 -17.9(3) . . . . ?
Eu2 O12 C14 C15 156.6(2) . . . . ?
Eu1 O11 C14 O12 -87.1(3) . . . . ?
Eu2 O11 C14 O12 16.0(3) . . . . ?
Eu1 O11 C14 C15 98.6(3) . . . . ?
Eu2 O11 C14 C15 -158.3(2) . . . . ?
Eu1 O11 C14 Eu2 -103.1(2) . . . . ?
O12 C14 C15 C20 -32.9(4) . . . . ?
O11 C14 C15 C20 141.6(3) . . . . ?
Eu2 C14 C15 C20 36.5(7) . . . . ?
O12 C14 C15 C16 151.2(3) . . . . ?
O11 C14 C15 C16 -34.2(4) . . . . ?
Eu2 C14 C15 C16 -139.3(5) . . . . ?
C20 C15 C16 C17 1.5(4) . . . . ?
C14 C15 C16 C17 177.2(3) . . . . ?
C15 C16 C17 C18 -2.5(4) . . . . ?
C15 C16 C17 C21 -178.4(3) . . . . ?
C16 C17 C18 C19 1.2(5) . . . . ?
C21 C17 C18 C19 177.2(3) . . . . ?
C17 C18 C19 C20 1.1(5) . . . . ?
C17 C18 C19 O15 -172.1(3) . . . . ?
C22 O15 C19 C18 -62.3(4) . . . . ?
C22 O15 C19 C20 124.2(3) . . . . ?
C18 C19 C20 C15 -2.1(5) . . . . ?
O15 C19 C20 C15 171.5(3) . . . . ?
C16 C15 C20 C19 0.8(4) . . . . ?
C14 C15 C20 C19 -175.2(3) . . . . ?
Eu1 O14 C21 O13 -9.9(3) 3 . . . ?
Eu1 O14 C21 C17 168.1(2) 3 . . . ?
Eu1 O13 C21 O14 9.8(3) 3 . . . ?
Eu1 O13 C21 C17 -168.3(2) 3 . . . ?
C16 C17 C21 O14 1.8(4) . . . . ?
C18 C17 C21 O14 -174.2(3) . . . . ?
C16 C17 C21 O13 179.9(3) . . . . ?
C18 C17 C21 O13 3.9(4) . . . . ?
C16 C17 C21 Eu1 90.6(11) . . . 3 ?
C18 C17 C21 Eu1 -85.3(12) . . . 3 ?
C19 O15 C22 C26 -9.8(5) . . . . ?
C19 O15 C22 C23 173.0(3) . . . . ?
O15 C22 C23 C24 179.6(3) . . . . ?
C26 C22 C23 C24 2.3(5) . . . . ?
C22 C23 C24 C25 -0.4(6) . . . . ?
C26 N2 C25 C24 0.8(6) . . . . ?
C23 C24 C25 N2 -1.2(6) . . . . ?
C25 N2 C26 C22 1.2(5) . . . . ?
O15 C22 C26 N2 -179.9(3) . . . . ?
C23 C22 C26 N2 -2.8(5) . . . . ?
Eu2 O6 C27 O7 18.5(13) . . . . ?
Eu2 O6 C27 C28 -161.2(10) . . . . ?
Eu1 O7 C27 O6 39.4(10) 2 . . . ?
Eu1 O7 C27 C28 -140.9(7) 2 . . . ?
O6 C27 C28 C29 163.6(3) . . . . ?
O7 C27 C28 C29 -16.1(4) . . . . ?
O6 C27 C28 C33 -16.4(4) . . . . ?
O7 C27 C28 C33 163.9(3) . . . . ?
C33 C28 C29 C30 -1.0(5) . . . . ?
C27 C28 C29 C30 179.1(3) . . . . ?
C28 C29 C30 C31 -2.2(5) . . . . ?
C28 C29 C30 C34 175.3(3) . . . . ?
C29 C30 C31 C32 3.5(5) . . . . ?
C34 C30 C31 C32 -174.1(3) . . . . ?
C30 C31 C32 C33 -1.6(6) . . . . ?
C30 C31 C32 O10 -179.0(3) . . . . ?
C35 O10 C32 C33 137.4(3) . . . . ?
C35 O10 C32 C31 -45.0(5) . . . . ?
C31 C32 C33 C28 -1.5(5) . . . . ?
O10 C32 C33 C28 176.0(3) . . . . ?
C29 C28 C33 C32 2.8(5) . . . . ?
C27 C28 C33 C32 -177.2(3) . . . . ?
Eu1 O9 C34 O8 -1.2(3) 1_565 . . . ?
Eu1 O9 C34 C30 177.2(3) 1_565 . . . ?
Eu1 O8 C34 O9 1.2(3) 1_565 . . . ?
Eu1 O8 C34 C30 -177.2(2) 1_565 . . . ?
C31 C30 C34 O9 -9.0(5) . . . . ?
C29 C30 C34 O9 173.5(3) . . . . ?
C31 C30 C34 O8 169.4(3) . . . . ?
C29 C30 C34 O8 -8.1(5) . . . . ?
C32 O10 C35 C36 -29.0(5) . . . . ?
C32 O10 C35 C39 153.6(3) . . . . ?
C39 C35 C36 C37 -2.4(5) . . . . ?
O10 C35 C36 C37 -179.8(3) . . . . ?
C35 C36 C37 C38 0.2(5) . . . . ?
C39 N3 C38 C37 -2.8(6) . . . . ?
C36 C37 C38 N3 2.5(6) . . . . ?
C38 N3 C39 C35 0.4(6) . . . . ?
C36 C35 C39 N3 2.2(5) . . . . ?
O10 C35 C39 N3 179.9(3) . . . . ?
C41 N4 C42 O19 2.0(10) . . . . ?
C40 N4 C42 O19 -177.9(6) . . . . ?
