#------------------------------------------------------------------------------
#$Date: 2016-03-26 14:31:31 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180266 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/52/7115264.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_7115264
loop_
_publ_author_name
'Zheng Niu'
'Sheng Fang'
'Jian-Gong Ma'
'Xiao-Ping Zhang'
'Peng Cheng'
_publ_section_title
;
 Enhancement of adsorption selectivity for MOFs under mild activation and
 regeneration conditions
;
_journal_name_full               Chem.Commun.
_journal_page_first              7797
_journal_paper_doi               10.1039/C4CC00426D
_journal_volume                  50
_journal_year                    2014
_chemical_formula_moiety
'2(C47 H53 Eu2 Mn4 N6 O44), 8.33(H2 O), C O H4'
_chemical_formula_sum            'C95 H126.65 Eu4 Mn8 N12 O97.33'
_chemical_formula_weight         4041.34
_chemical_name_systematic
;
 ? 
;
_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'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2014-01-16
_audit_creation_method
;
Olex2 1.2
(compiled 2013.12.10 svn.r2850 for OlexSys, GUI svn.r4736)
;
_cell_angle_alpha                90.00
_cell_angle_beta                 98.343(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   8.9103(3)
_cell_length_b                   24.1109(8)
_cell_length_c                   17.3062(6)
_cell_measurement_reflns_used    4840
_cell_measurement_temperature    120.0
_cell_measurement_theta_max      28.9029
_cell_measurement_theta_min      2.3741
_cell_volume                     3678.6(2)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      120.0
_diffrn_detector_area_resol_mean 16.2116
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0243691000
_diffrn_orient_matrix_UB_12      -0.0139931000
_diffrn_orient_matrix_UB_13      -0.0356801000
_diffrn_orient_matrix_UB_21      -0.0202641000
_diffrn_orient_matrix_UB_22      -0.0234501000
_diffrn_orient_matrix_UB_23      0.0210503000
_diffrn_orient_matrix_UB_31      -0.0738726000
_diffrn_orient_matrix_UB_32      0.0109931000
_diffrn_orient_matrix_UB_33      -0.0005194000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0552
_diffrn_reflns_av_unetI/netI     0.0915
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            13280
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.38
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    2.455
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.84427
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.36.21
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.815
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rhomboidal
_exptl_crystal_F_000             1991
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.212
_refine_diff_density_min         -1.995
_refine_diff_density_rms         0.178
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     511
_refine_ls_number_reflns         6491
_refine_ls_number_restraints     51
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0817
_refine_ls_R_factor_gt           0.0556
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0432P)²+17.7693P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1182
_refine_ls_wR_factor_ref         0.1291
_reflns_number_gt                4908
_reflns_number_total             6491
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4cc00426d2.cif
_cod_data_source_block           3
_cod_database_code               7115264
#BEGIN Tags that were not found in dictionaries:
_reflns_odcompleteness_completeness 99.90
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
#END Tags that were not found in dictionaries
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x+1/2, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 '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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Eu1 Eu 0.96137(4) 0.187869(17) 0.93588(2) 0.00750(12) Uani 1 1 d . .
Mn2 Mn 0.48047(13) 0.33750(6) 1.00348(7) 0.0152(3) Uani 1 1 d D .
Mn3 Mn 1.49782(13) 0.08537(5) 1.08701(7) 0.0117(3) Uani 1 1 d D .
O O 1.1704(6) 0.1306(2) 0.9906(3) 0.0130(12) Uani 1 1 d . .
O0AA O 0.7411(6) 0.1604(2) 0.8437(3) 0.0137(12) Uani 1 1 d . .
O1AA O 1.2946(6) 0.3101(2) 1.0648(3) 0.0175(13) Uani 1 1 d . .
O2AA O 1.1121(6) 0.1827(2) 0.8299(3) 0.0158(13) Uani 1 1 d . .
O3AA O 1.1644(6) 0.2526(2) 0.9776(3) 0.0133(12) Uani 1 1 d . .
O4AA O 0.5968(6) 0.2640(2) 1.0632(3) 0.0152(13) Uani 1 1 d . .
H4AA H 0.6225 0.2702 1.1133 0.023 Uiso 1 1 d GR .
H4AB H 0.6795 0.2561 1.0435 0.023 Uiso 1 1 d GR .
O5AA O 0.7871(6) 0.2617(2) 0.9613(3) 0.0143(13) Uani 1 1 d . .
O6AA O 0.7202(5) 0.1243(2) 1.1319(3) 0.0107(7) Uani 1 1 d . .
O7AA O 0.6702(6) 0.3429(2) 0.9353(3) 0.0152(13) Uani 1 1 d . .
O8AA O 1.4562(6) 0.1631(2) 1.0219(3) 0.0173(13) Uani 1 1 d . .
H8AA H 1.4947 0.1914 1.0499 0.026 Uiso 1 1 d GR .
H8AB H 1.3586 0.1689 1.0094 0.026 Uiso 1 1 d GR .
O9AA O 0.8084(5) 0.1386(2) 1.0187(3) 0.0107(7) Uani 1 1 d . .
O0BA O 0.3717(7) 0.2923(3) 0.9015(3) 0.0240(15) Uani 1 1 d . .
H0BA H 0.4382 0.2727 0.8820 0.036 Uiso 1 1 d GR .
H0BB H 0.3303 0.3152 0.8662 0.036 Uiso 1 1 d GR .
O1BA O 1.2904(6) 0.0499(2) 1.0159(3) 0.0117(12) Uani 1 1 d . .
O2BA O 1.5657(8) 0.0073(3) 1.1448(4) 0.0381(15) Uani 1 1 d D .
H2BA H 1.569(11) -0.0258(9) 1.128(2) 0.057 Uiso 1 1 d DR .
O3BA O 1.6031(6) 0.0575(2) 0.9849(3) 0.0130(12) Uani 1 1 d . .
H3BA H 1.6395 0.0237 0.9918 0.019 Uiso 1 1 d GR .
H3BB H 1.6784 0.0795 0.9776 0.019 Uiso 1 1 d GR .
O4BA O 0.8745(6) 0.3947(2) 0.6805(3) 0.0134(12) Uani 1 1 d . .
C5BA C 0.8366(8) 0.3097(3) 0.8485(4) 0.0112(17) Uani 1 1 d . .
O5BA O 0.9129(6) -0.0788(2) 0.8482(3) 0.0176(13) Uani 1 1 d . .
H5BA H 0.8241 -0.0883 0.8465 0.026 Uiso 1 1 calc GR .
N N 1.0064(7) 0.2114(3) 1.0787(4) 0.0111(15) Uani 1 1 d . .
C8BA C 0.8349(8) 0.0685(3) 0.8450(4) 0.0109(17) Uani 1 1 d . .
N0AA N 0.9276(7) 0.2660(3) 0.8405(4) 0.0126(15) Uani 1 1 d . .
N1AA N 0.9520(7) 0.0883(3) 0.8937(4) 0.0112(15) Uani 1 1 d . .
C1CA C 0.9220(8) 0.1891(3) 1.1286(4) 0.0109(17) Uani 1 1 d . .
C2CA C 0.7571(8) 0.3047(3) 0.9203(4) 0.0101(17) Uani 1 1 d . .
C3CA C 0.8156(9) 0.0137(3) 0.8263(5) 0.0125(10) Uani 1 1 d . U
H3CA H 0.7319 0.0017 0.7920 0.015 Uiso 1 1 calc R .
C4CA C 1.0025(9) 0.2666(3) 0.7787(4) 0.0121(18) Uani 1 1 d . .
C5CA C 0.9245(9) -0.0238(3) 0.8601(5) 0.0125(10) Uani 1 1 d . .
O6BA O 1.1692(6) 0.2114(2) 0.7154(3) 0.0200(14) Uani 1 1 d . .
O7BA O 0.6216(7) 0.1002(3) 0.7578(4) 0.0365(18) Uani 1 1 d . .
O8BA O 0.5755(8) 0.3903(3) 1.0991(4) 0.0409(19) Uani 1 1 d D .
H8BA H 0.6711(14) 0.392(3) 1.116(3) 0.061 Uiso 1 1 d DR .
C8CA C 0.9904(8) 0.3086(3) 0.7253(5) 0.0126(17) Uani 1 1 d . .
H8CA H 1.0462 0.3071 0.6840 0.015 Uiso 1 1 calc R .
C9CA C 0.8155(8) 0.3534(3) 0.7984(5) 0.0122(17) Uani 1 1 d . .
H9CA H 0.7508 0.3823 0.8072 0.015 Uiso 1 1 calc R .
C0DA C 1.1837(9) 0.0796(3) 0.9804(5) 0.0120(18) Uani 1 1 d . .
C1DA C 1.1240(9) 0.2699(3) 1.1815(4) 0.0122(18) Uani 1 1 d . .
H1DA H 1.1952 0.2971 1.1982 0.015 Uiso 1 1 calc R .
C9DA C 0.8083(8) 0.1469(3) 1.0916(4) 0.0107(7) Uani 1 1 d . .
C2DA C 1.1058(8) 0.2508(3) 1.1064(5) 0.0109(17) Uani 1 1 d . .
C3DA C 0.9311(8) 0.2057(3) 1.2058(4) 0.0105(17) Uani 1 1 d . .
H3DA H 0.8703 0.1893 1.2388 0.013 Uiso 1 1 calc R .
C0EA C 1.1956(8) 0.2733(3) 1.0450(4) 0.0099(17) Uani 1 1 d . .
C4DA C 1.0325(9) 0.2472(4) 1.2325(4) 0.0138(18) Uani 1 1 d . .
C5DA C 1.1033(9) 0.2165(4) 0.7734(5) 0.0140(18) Uani 1 1 d . .
C6DA C 1.0588(8) 0.0522(3) 0.9248(5) 0.0119(18) Uani 1 1 d . U
C1EA C 0.8937(8) 0.3544(3) 0.7323(4) 0.0095(17) Uani 1 1 d . .
C7DA C 0.7215(9) 0.1124(4) 0.8121(5) 0.0159(19) Uani 1 1 d . .
O9BA O 0.3753(12) 0.4128(3) 0.9552(5) 0.070(3) Uani 1 1 d D .
H9BA H 0.368(15) 0.4435(17) 0.979(2) 0.104 Uiso 1 1 d DR .
O0CA O 1.0385(6) 0.2648(2) 1.3065(3) 0.0146(13) Uani 1 1 d . .
H0CA H 1.0924 0.2924 1.3132 0.022 Uiso 1 1 calc GR .
C3EA C 1.0520(9) -0.0034(3) 0.9072(4) 0.0125(10) Uani 1 1 d . .
H3EA H 1.1313 -0.0270 0.9265 0.015 Uiso 1 1 calc R .
C5EA C 1.6439(12) 0.0091(4) 1.2293(6) 0.0381(15) Uani 1 1 d D .
H5EA H 1.7474 -0.0027 1.2316 0.057 Uiso 1 1 calc GR .
H5EB H 1.5923 -0.0152 1.2606 0.057 Uiso 1 1 calc GR .
H5EC H 1.6413 0.0463 1.2488 0.057 Uiso 1 1 calc GR .
C6EA C 0.4900(16) 0.4114(6) 1.1574(8) 0.077(5) Uani 1 1 d D .
H6EA H 0.4172 0.4380 1.1339 0.116 Uiso 1 1 calc GR .
H6EB H 0.5577 0.4289 1.1984 0.116 Uiso 1 1 calc GR .
H6EC H 0.4382 0.3814 1.1786 0.116 Uiso 1 1 calc GR .
O1CA O 0.8488(10) 0.3687(4) 1.1714(5) 0.041(3) Uani 0.75 1 d . .
O2CA O 1.6346(11) -0.1081(4) 1.1444(6) 0.045(3) Uani 0.75 1 d . .
O3CA O 0.338(3) 0.5115(9) 1.0263(13) 0.046(6) Uani 0.33 1 d . U
C C 0.327(3) 0.4216(12) 0.8720(14) 0.072(8) Uani 0.50 1 d D U
HA H 0.4022 0.4072 0.8430 0.108 Uiso 0.50 1 calc GR .
HB H 0.3133 0.4605 0.8618 0.108 Uiso 0.50 1 calc GR .
HC H 0.2323 0.4026 0.8563 0.108 Uiso 0.50 1 calc GR .
O4CA O 0.913(5) 0.4316(19) 1.066(3) 0.091(13) Uani 0.25 1 d . U
C2 C 1.004(5) 0.415(2) 1.019(3) 0.058(14) Uani 0.25 1 d . U
O1 O 1.701(3) -0.0952(13) 1.1936(18) 0.036(7) Uani 0.25 1 d . 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'
H H 0.0000 0.0000 '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'
Mn Mn 0.3368 0.7283 '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'
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
O Eu1 O0AA 127.45(18) . .
O Eu1 O2AA 77.66(18) . .
O Eu1 O3AA 75.47(18) . .
O Eu1 O5AA 145.56(18) . .
O Eu1 O9AA 87.44(18) . .
O Eu1 N 74.77(19) . .
O Eu1 N0AA 135.06(19) . .
O Eu1 N1AA 63.61(19) . .
O0AA Eu1 O5AA 80.99(18) . .
O0AA Eu1 N 134.82(19) . .
O0AA Eu1 N0AA 76.3(2) . .
O0AA Eu1 N1AA 63.84(19) . .
O2AA Eu1 O0AA 88.47(18) . .
O2AA Eu1 O5AA 127.49(18) . .
O2AA Eu1 N 136.71(19) . .
O2AA Eu1 N0AA 64.25(19) . .
O2AA Eu1 N1AA 74.34(19) . .
O3AA Eu1 O0AA 150.25(18) . .
O3AA Eu1 O2AA 77.68(18) . .
O3AA Eu1 O5AA 86.75(18) . .
O3AA Eu1 O9AA 126.81(17) . .
O3AA Eu1 N 63.53(19) . .
O3AA Eu1 N0AA 73.9(2) . .
O3AA Eu1 N1AA 134.16(19) . .
O5AA Eu1 N 70.90(19) . .
O5AA Eu1 N0AA 63.27(19) . .
O5AA Eu1 N1AA 139.02(19) . .
O9AA Eu1 O0AA 77.60(17) . .
O9AA Eu1 O2AA 147.20(18) . .
O9AA Eu1 O5AA 79.89(18) . .
O9AA Eu1 N 63.42(19) . .
O9AA Eu1 N0AA 137.45(19) . .
O9AA Eu1 N1AA 72.86(19) . .
N0AA Eu1 N 117.9(2) . .
N0AA Eu1 N1AA 122.3(2) . .
N1AA Eu1 N 119.8(2) . .
O1AA Mn2 O4AA 82.5(2) 1_455 .
O1AA Mn2 O7AA 165.7(2) 1_455 .
O7AA Mn2 O4AA 87.4(2) . .
O0BA Mn2 O1AA 87.9(2) . 1_455
O0BA Mn2 O4AA 95.7(2) . .
O0BA Mn2 O7AA 83.2(2) . .
O8BA Mn2 O1AA 92.6(2) . 1_455
O8BA Mn2 O4AA 90.5(3) . .
O8BA Mn2 O7AA 97.5(2) . .
O8BA Mn2 O0BA 173.7(3) . .
O9BA Mn2 O1AA 97.2(3) . 1_455
O9BA Mn2 O4AA 174.8(3) . .
O9BA Mn2 O7AA 93.9(3) . .
O9BA Mn2 O0BA 89.4(3) . .
O9BA Mn2 O8BA 84.3(3) . .
O6AA Mn3 O1BA 167.19(19) 1_655 .
O8AA Mn3 O6AA 84.0(2) . 1_655
O8AA Mn3 O1BA 88.8(2) . .
O8AA Mn3 O3BA 84.8(2) . .
O2BA Mn3 O6AA 91.7(2) . 1_655
O2BA Mn3 O8AA 172.6(2) . .
O2BA Mn3 O1BA 94.3(2) . .
O2BA Mn3 O3BA 89.0(2) . .
O3BA Mn3 O6AA 87.01(19) . 1_655
O3BA Mn3 O1BA 81.80(19) . .
O4BA Mn3 O6AA 99.79(19) 4_666 1_655
O4BA Mn3 O8AA 97.5(2) 4_666 .
O4BA Mn3 O1BA 91.61(19) 4_666 .
O4BA Mn3 O2BA 89.2(2) 4_666 .
O4BA Mn3 O3BA 173.0(2) 4_666 .
C0DA O Eu1 126.4(5) . .
C7DA O0AA Eu1 124.9(5) . .
C0EA O1AA Mn2 128.8(5) . 1_655
C5DA O2AA Eu1 124.8(5) . .
C0EA O3AA Eu1 125.9(5) . .
C2CA O5AA Eu1 125.8(5) . .
C9DA O6AA Mn3 126.0(5) . 1_455
C2CA O7AA Mn2 127.8(5) . .
C9DA O9AA Eu1 126.0(5) . .
C0DA O1BA Mn3 123.4(5) . .
C5EA O2BA Mn3 118.2(6) . .
C1EA O4BA Mn3 130.6(5) . 4_565
N0AA C5BA C2CA 112.3(7) . .
N0AA C5BA C9CA 124.7(7) . .
C9CA C5BA C2CA 123.1(7) . .
C1CA N Eu1 121.3(5) . .
C1CA N C2DA 117.3(7) . .
C2DA N Eu1 121.0(5) . .
N1AA C8BA C3CA 123.9(8) . .
N1AA C8BA C7DA 113.9(7) . .
C3CA C8BA C7DA 122.2(7) . .
C5BA N0AA Eu1 122.6(5) . .
C4CA N0AA Eu1 120.7(5) . .
C4CA N0AA C5BA 116.7(7) . .
C8BA N1AA Eu1 121.2(5) . .
C8BA N1AA C6DA 117.7(7) . .
C6DA N1AA Eu1 120.8(5) . .
N C1CA C9DA 113.7(7) . .
N C1CA C3DA 123.1(7) . .
C3DA C1CA C9DA 123.0(7) . .
O5AA C2CA C5BA 116.1(7) . .
O7AA C2CA O5AA 125.0(7) . .
O7AA C2CA C5BA 119.0(7) . .
C8BA C3CA C5CA 118.2(7) . .
N0AA C4CA C8CA 123.3(7) . .
N0AA C4CA C5DA 114.0(7) . .
C8CA C4CA C5DA 122.7(7) . .
O5BA C5CA C3CA 122.9(7) . .
O5BA C5CA C3EA 118.5(7) . .
C3EA C5CA C3CA 118.7(8) . .
C6EA O8BA Mn2 123.7(7) . .
C4CA C8CA C1EA 120.7(7) . .
C5BA C9CA C1EA 119.2(7) . .
O C0DA O1BA 124.3(8) . .
O C0DA C6DA 116.3(7) . .
O1BA C0DA C6DA 119.4(7) . .
C2DA C1DA C4DA 118.0(7) . .
O6AA C9DA O9AA 125.1(7) . .
O6AA C9DA C1CA 119.6(7) . .
O9AA C9DA C1CA 115.3(7) . .
N C2DA C1DA 124.1(7) . .
N C2DA C0EA 113.0(7) . .
C1DA C2DA C0EA 122.9(7) . .
C4DA C3DA C1CA 118.4(7) . .
O1AA C0EA C2DA 118.6(7) . .
O3AA C0EA O1AA 125.5(7) . .
O3AA C0EA C2DA 115.9(7) . .
C3DA C4DA C1DA 119.0(7) . .
O0CA C4DA C1DA 122.2(7) . .
O0CA C4DA C3DA 118.8(7) . .
O2AA C5DA C4CA 115.9(7) . .
O6BA C5DA O2AA 125.2(8) . .
O6BA C5DA C4CA 118.8(7) . .
N1AA C6DA C0DA 112.6(7) . .
N1AA C6DA C3EA 122.5(7) . .
C3EA C6DA C0DA 124.8(7) . .
O4BA C1EA C8CA 122.6(7) . .
O4BA C1EA C9CA 122.0(7) . .
C8CA C1EA C9CA 115.4(7) . .
O0AA C7DA C8BA 115.4(7) . .
O7BA C7DA O0AA 125.4(8) . .
O7BA C7DA C8BA 119.2(8) . .
C O9BA Mn2 123.7(12) . .
C6DA C3EA C5CA 118.7(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 O 2.400(5) .
Eu1 O0AA 2.434(5) .
Eu1 O2AA 2.429(5) .
Eu1 O3AA 2.418(6) .
Eu1 O5AA 2.444(5) .
Eu1 O9AA 2.427(5) .
Eu1 N 2.511(6) .
Eu1 N0AA 2.494(7) .
Eu1 N1AA 2.507(7) .
Mn2 O1AA 2.195(5) 1_455
Mn2 O4AA 2.230(6) .
Mn2 O7AA 2.201(5) .
Mn2 O0BA 2.178(6) .
Mn2 O8BA 2.161(7) .
Mn2 O9BA 2.155(8) .
Mn3 O6AA 2.228(5) 1_655
Mn3 O8AA 2.190(6) .
Mn3 O1BA 2.236(5) .
Mn3 O2BA 2.176(7) .
Mn3 O3BA 2.221(5) .
Mn3 O4BA 2.139(5) 4_666
O C0DA 1.252(9) .
O0AA C7DA 1.281(10) .
O1AA Mn2 2.195(5) 1_655
O1AA C0EA 1.263(9) .
O2AA C5DA 1.266(9) .
O3AA C0EA 1.262(9) .
O5AA C2CA 1.262(9) .
O6AA Mn3 2.228(5) 1_455
O6AA C9DA 1.249(9) .
O7AA C2CA 1.255(9) .
O9AA C9DA 1.277(9) .
O1BA C0DA 1.273(9) .
O2BA C5EA 1.527(12) .
O4BA Mn3 2.139(5) 4_565
O4BA C1EA 1.315(9) .
C5BA N0AA 1.350(10) .
C5BA C2CA 1.522(10) .
C5BA C9CA 1.360(11) .
O5BA C5CA 1.344(10) .
N C1CA 1.338(10) .
N C2DA 1.339(10) .
C8BA N1AA 1.332(10) .
C8BA C3CA 1.366(11) .
C8BA C7DA 1.516(11) .
N0AA C4CA 1.340(10) .
N1AA C6DA 1.343(10) .
C1CA C9DA 1.512(11) .
C1CA C3DA 1.385(10) .
C3CA C5CA 1.390(11) .
C4CA C8CA 1.364(11) .
C4CA C5DA 1.516(11) .
C5CA C3EA 1.388(11) .
O6BA C5DA 1.241(9) .
O7BA C7DA 1.234(10) .
O8BA C6EA 1.442(14) .
C8CA C1EA 1.418(11) .
C9CA C1EA 1.423(10) .
C0DA C6DA 1.513(11) .
C1DA C2DA 1.366(11) .
C1DA C4DA 1.397(11) .
C2DA C0EA 1.519(10) .
C3DA C4DA 1.382(11) .
C4DA O0CA 1.343(9) .
C6DA C3EA 1.375(11) .
O9BA C 1.46(2) .
O2CA O1 1.01(3) .
O4CA C2 1.30(6) .
