#------------------------------------------------------------------------------
#$Date: 2016-02-14 05:40:26 +0100 (dom 14 de feb de 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/57/7205781.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_7205781
loop_
_publ_author_name
'Zhang, Hai-Juan'
'Wang, Xiao-Zhu'
'Zhu, Dun-Ru'
'Song, You'
'Xu, Yan'
'Xu, Heng'
'Shen, Xuan'
'Gao, Ting'
'Huang, Min-Xue'
_publ_section_title
;
 Novel 3D lanthanide-organic frameworks with an unusual infinite
 nanosized ribbon [Ln3(μ3--OH)2(--CO2)6]+n (Ln = Eu, Gd, Dy):
 syntheses, structures, luminescence, and magnetic properties
;
_journal_issue                   7
_journal_name_full               CrystEngComm
_journal_page_first              2586
_journal_paper_doi               10.1039/c0ce00766h
_journal_volume                  13
_journal_year                    2011
_chemical_formula_moiety         'C35 H35 Eu3 O22, O '
_chemical_formula_sum            'C35 H35 Eu3 O23'
_chemical_formula_weight         1279.51
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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                 95.854(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.099(2)
_cell_length_b                   31.640(7)
_cell_length_c                   12.450(3)
_cell_measurement_reflns_used    36
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.68
_cell_measurement_theta_min      1.68
_cell_volume                     3957.4(15)
_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  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0463
_diffrn_reflns_av_sigmaI/netI    0.0432
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            29323
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.29
_exptl_absorpt_coefficient_mu    4.788
_exptl_absorpt_correction_T_max  0.6460
_exptl_absorpt_correction_T_min  0.4189
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    2.147
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             2472
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.836
_refine_diff_density_min         -1.120
_refine_diff_density_rms         0.326
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     562
_refine_ls_number_reflns         7690
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0376
_refine_ls_R_factor_gt           0.0289
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0396P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0674
_refine_ls_wR_factor_ref         0.0779
_reflns_number_gt                6581
_reflns_number_total             7690
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0ce00766h.txt
_cod_data_source_block           wxz9
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_cell_volume        3957.6(15)
_cod_original_sg_symbol_Hall     '-P 2ybc '
_cod_original_sg_symbol_H-M      'P2(1)/c '
_cod_database_code               7205781
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 0.98835(2) 0.233348(7) 0.16330(2) 0.01312(7) Uani 1 1 d . . .
Eu2 Eu 1.38191(2) 0.226295(7) 0.14803(2) 0.01378(7) Uani 1 1 d . . .
Eu3 Eu 1.19017(2) 0.206310(7) 0.42791(2) 0.01268(7) Uani 1 1 d . . .
O1W O 0.7849(4) 0.27741(12) 0.1619(4) 0.0413(12) Uani 1 1 d D . .
H1WB H 0.765(6) 0.3032(8) 0.177(6) 0.062 Uiso 1 1 d D . .
H1WA H 0.718(4) 0.2613(15) 0.151(6) 0.062 Uiso 1 1 d D . .
O1 O 0.9756(3) 0.25800(11) -0.1438(3) 0.0192(8) Uani 1 1 d . . .
O2 O 0.8701(4) 0.23182(14) -0.0113(3) 0.0385(11) Uani 1 1 d . . .
O2W O 1.3751(4) 0.16599(12) 0.0122(3) 0.0326(10) Uani 1 1 d D . .
H2WB H 1.379(6) 0.1459(14) 0.059(4) 0.049 Uiso 1 1 d D . .
H2WA H 1.310(4) 0.1638(18) -0.037(3) 0.049 Uiso 1 1 d D . .
O3W O 1.1303(4) 0.16027(13) -0.1059(3) 0.0384(10) Uani 1 1 d . . .
O3 O 1.2158(3) 0.24387(10) 0.2663(3) 0.0150(7) Uani 1 1 d . . .
O4 O 1.4038(3) 0.24312(10) 0.4686(3) 0.0192(8) Uani 1 1 d . . .
O5 O 1.5111(4) 0.22617(12) 0.3259(3) 0.0278(9) Uani 1 1 d . . .
O6 O 1.1656(3) 0.26469(9) 0.5449(3) 0.0155(7) Uani 1 1 d . . .
O7 O 0.9680(3) -0.16991(11) 0.4811(3) 0.0249(9) Uani 1 1 d . . .
O8 O 0.9685(3) -0.19137(10) 0.3095(3) 0.0205(8) Uani 1 1 d . . .
O9 O 1.1537(4) -0.13746(11) 0.2306(3) 0.0330(10) Uani 1 1 d . . .
O10 O 1.1364(5) 0.08213(12) 0.0496(3) 0.0476(13) Uani 1 1 d . . .
O11 O 1.0323(4) 0.15947(10) 0.0966(3) 0.0254(9) Uani 1 1 d . . .
O12 O 1.0725(3) 0.17037(10) 0.2714(3) 0.0204(8) Uani 1 1 d . . .
O13 O 1.4989(4) -0.20626(11) 0.3202(4) 0.0380(11) Uani 1 1 d . . .
O14 O 1.6995(4) -0.18851(12) 0.3910(3) 0.0261(9) Uani 1 1 d . . .
O15 O 1.3739(4) -0.14443(12) 0.4567(4) 0.0445(12) Uani 1 1 d . . .
O16 O 1.4848(5) 0.09017(12) 0.1364(4) 0.0485(13) Uani 1 1 d . . .
O17 O 1.3236(4) 0.14823(11) 0.3931(3) 0.0250(8) Uani 1 1 d . . .
O18 O 1.3633(4) 0.15576(11) 0.2215(3) 0.0260(9) Uani 1 1 d . . .
O19 O 1.6060(3) 0.20955(12) 0.1263(3) 0.0250(9) Uani 1 1 d . . .
O20 O 1.8048(3) 0.18684(11) 0.1947(3) 0.0279(9) Uani 1 1 d . . .
C1 C 0.8750(6) 0.2456(2) -0.1024(5) 0.0321(14) Uani 1 1 d . . .
H1A H 0.7946 0.2469 -0.1459 0.038 Uiso 1 1 calc R . .
C2 C 1.5071(5) 0.24000(18) 0.4181(4) 0.0254(13) Uani 1 1 d . . .
H2A H 1.5871 0.2491 0.4543 0.030 Uiso 1 1 calc R . .
C3 C 1.6835(5) 0.18332(17) 0.1730(5) 0.0270(13) Uani 1 1 d . . .
H3A H 1.6457 0.1582 0.1939 0.032 Uiso 1 1 calc R . .
C4 C 1.0557(5) 0.14538(15) 0.1904(4) 0.0192(11) Uani 1 1 d . . .
C5 C 1.0503(5) 0.09947(15) 0.2136(4) 0.0208(12) Uani 1 1 d . . .
C6 C 1.0882(6) 0.06799(16) 0.1417(4) 0.0247(12) Uani 1 1 d . . .
C7 C 1.0783(6) 0.02610(16) 0.1680(5) 0.0292(13) Uani 1 1 d . . .
H7A H 1.1037 0.0058 0.1202 0.035 Uiso 1 1 calc R . .
C8 C 1.0313(6) 0.01291(16) 0.2644(4) 0.0257(13) Uani 1 1 d . . .
C9 C 0.9962(6) 0.04416(16) 0.3351(4) 0.0328(15) Uani 1 1 d . . .
H9A H 0.9654 0.0365 0.4003 0.039 Uiso 1 1 calc R . .
C10 C 1.0067(6) 0.08634(16) 0.3093(5) 0.0288(13) Uani 1 1 d . . .
H10A H 0.9836 0.1066 0.3583 0.035 Uiso 1 1 calc R . .
C11 C 1.0189(5) -0.03256(15) 0.2925(4) 0.0225(12) Uani 1 1 d . . .
C12 C 1.0942(6) -0.06370(15) 0.2461(4) 0.0248(12) Uani 1 1 d . . .
H12A H 1.1531 -0.0558 0.1970 0.030 Uiso 1 1 calc R . .
C13 C 1.0821(5) -0.10599(16) 0.2722(4) 0.0228(12) Uani 1 1 d . . .
C14 C 0.9972(5) -0.11805(15) 0.3496(4) 0.0210(12) Uani 1 1 d . . .
C15 C 0.9251(6) -0.08711(16) 0.3952(5) 0.0268(13) Uani 1 1 d . . .
H15A H 0.8691 -0.0947 0.4468 0.032 Uiso 1 1 calc R . .
C16 C 0.9335(6) -0.04520(17) 0.3668(5) 0.0311(14) Uani 1 1 d . . .
H16A H 0.8814 -0.0252 0.3976 0.037 Uiso 1 1 calc R . .
C17 C 0.9764(5) -0.16316(15) 0.3824(4) 0.0184(11) Uani 1 1 d . . .
C18 C 1.2311(7) -0.1272(2) 0.1430(5) 0.0456(18) Uani 1 1 d . . .
H18A H 1.2754 -0.1521 0.1212 0.068 Uiso 1 1 calc R . .
H18B H 1.2961 -0.1061 0.1665 0.068 Uiso 1 1 calc R . .
H18C H 1.1734 -0.1165 0.0832 0.068 Uiso 1 1 calc R . .
C19 C 1.1893(7) 0.05273(19) -0.0201(5) 0.0486(19) Uani 1 1 d . . .
H19A H 1.2192 0.0674 -0.0807 0.073 Uiso 1 1 calc R . .
H19B H 1.1218 0.0327 -0.0452 0.073 Uiso 1 1 calc R . .
H19C H 1.2630 0.0381 0.0183 0.073 Uiso 1 1 calc R . .
C20 C 1.3586(5) 0.13366(16) 0.3063(4) 0.0197(11) Uani 1 1 d . . .
C21 C 1.3910(5) 0.08768(16) 0.3037(4) 0.0214(12) Uani 1 1 d . . .
C22 C 1.4531(6) 0.06655(16) 0.2232(5) 0.0292(13) Uani 1 1 d . . .
C23 C 1.4787(6) 0.02362(16) 0.2302(5) 0.0324(14) Uani 1 1 d . . .
H23A H 1.5202 0.0106 0.1756 0.039 Uiso 1 1 calc R . .
C24 C 1.4443(5) -0.00083(16) 0.3165(5) 0.0257(13) Uani 1 1 d . . .
C25 C 1.3835(6) 0.02008(17) 0.3969(5) 0.0294(13) Uani 1 1 d . . .
H25A H 1.3597 0.0050 0.4560 0.035 Uiso 1 1 calc R . .
C26 C 1.3582(6) 0.06306(16) 0.3898(5) 0.0288(13) Uani 1 1 d . . .
H26A H 1.3176 0.0760 0.4450 0.035 Uiso 1 1 calc R . .
C27 C 1.4773(5) -0.04668(16) 0.3255(5) 0.0273(13) Uani 1 1 d . . .
C28 C 1.4070(5) -0.07422(16) 0.3868(5) 0.0270(13) Uani 1 1 d . . .
H28A H 1.3364 -0.0637 0.4212 0.032 Uiso 1 1 calc R . .
C29 C 1.4393(5) -0.11651(16) 0.3976(5) 0.0256(13) Uani 1 1 d . . .
C30 C 1.5444(5) -0.13297(16) 0.3447(4) 0.0242(12) Uani 1 1 d . . .
C31 C 1.6138(6) -0.10591(17) 0.2841(5) 0.0312(14) Uani 1 1 d . . .
H31A H 1.6839 -0.1165 0.2491 0.037 Uiso 1 1 calc R . .
C32 C 1.5820(6) -0.06335(17) 0.2740(5) 0.0330(14) Uani 1 1 d . . .
H32A H 1.6306 -0.0459 0.2326 0.040 Uiso 1 1 calc R . .
C33 C 1.5828(5) -0.17895(16) 0.3532(4) 0.0216(12) Uani 1 1 d . . .
C34 C 1.2962(6) -0.1291(2) 0.5361(5) 0.0446(17) Uani 1 1 d . . .
H34A H 1.2570 -0.1524 0.5706 0.067 Uiso 1 1 calc R . .
H34B H 1.2272 -0.1111 0.5028 0.067 Uiso 1 1 calc R . .
H34C H 1.3516 -0.1132 0.5889 0.067 Uiso 1 1 calc R . .
C35 C 1.5728(9) 0.0731(3) 0.0654(7) 0.075(3) Uani 1 1 d U . .
H35A H 1.5855 0.0933 0.0098 0.113 Uiso 1 1 calc R . .
H35B H 1.5353 0.0477 0.0332 0.113 Uiso 1 1 calc R . .
H35C H 1.6569 0.0669 0.1053 0.113 Uiso 1 1 calc 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'
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
_geom_angle_publ_flag
O2 Eu1 O20 79.28(13) . 1_455 ?
O2 Eu1 O6 77.17(12) . 4_565 ?
O20 Eu1 O6 137.18(12) 1_455 4_565 ?
O2 Eu1 O1 146.56(13) . 4_566 ?
O20 Eu1 O1 77.95(12) 1_455 4_566 ?
O6 Eu1 O1 135.35(11) 4_565 4_566 ?
O2 Eu1 O8 102.30(13) . 2_755 ?
O20 Eu1 O8 134.24(12) 1_455 2_755 ?
O6 Eu1 O8 85.82(11) 4_565 2_755 ?
O1 Eu1 O8 77.29(11) 4_566 2_755 ?
O2 Eu1 O1W 70.48(16) . . ?
O20 Eu1 O1W 72.34(13) 1_455 . ?
O6 Eu1 O1W 129.89(14) 4_565 . ?
O1 Eu1 O1W 79.43(15) 4_566 . ?
O8 Eu1 O1W 65.69(12) 2_755 . ?
O2 Eu1 O12 126.02(13) . . ?
O20 Eu1 O12 69.77(11) 1_455 . ?
O6 Eu1 O12 96.64(11) 4_565 . ?
O1 Eu1 O12 66.94(11) 4_566 . ?
O8 Eu1 O12 131.04(11) 2_755 . ?
O1W Eu1 O12 133.32(14) . . ?
O2 Eu1 O11 76.69(14) . . ?
O20 Eu1 O11 69.89(12) 1_455 . ?
O6 Eu1 O11 70.17(11) 4_565 . ?
O1 Eu1 O11 117.10(11) 4_566 . ?
O8 Eu1 O11 155.69(11) 2_755 . ?
O1W Eu1 O11 133.50(13) . . ?
O12 Eu1 O11 51.76(11) . . ?
O2 Eu1 O3 144.26(12) . . ?
O20 Eu1 O3 131.66(11) 1_455 . ?
O6 Eu1 O3 67.59(11) 4_565 . ?
O1 Eu1 O3 67.82(11) 4_566 . ?
O8 Eu1 O3 70.24(11) 2_755 . ?
O1W Eu1 O3 129.53(13) . . ?
O12 Eu1 O3 65.94(10) . . ?
O11 Eu1 O3 96.13(11) . . ?
O2 Eu1 C4 100.30(15) . . ?
O20 Eu1 C4 64.56(13) 1_455 . ?
O6 Eu1 C4 85.17(12) 4_565 . ?
O1 Eu1 C4 91.65(13) 4_566 . ?
O8 Eu1 C4 153.11(14) 2_755 . ?
O1W Eu1 C4 136.89(14) . . ?
O12 Eu1 C4 26.36(13) . . ?
O11 Eu1 C4 25.71(13) . . ?
O3 Eu1 C4 82.90(12) . . ?
O2 Eu1 Eu3 165.43(11) . . ?
O20 Eu1 Eu3 94.30(9) 1_455 . ?
O6 Eu1 Eu3 99.71(8) 4_565 . ?
O1 Eu1 Eu3 41.03(8) 4_566 . ?
O8 Eu1 Eu3 91.56(9) 2_755 . ?
O1W Eu1 Eu3 120.29(12) . . ?
O12 Eu1 Eu3 39.68(8) . . ?
O11 Eu1 Eu3 88.84(8) . . ?
O3 Eu1 Eu3 37.91(7) . . ?
C4 Eu1 Eu3 65.17(11) . . ?
O2 Eu1 Eu2 111.39(10) . . ?
O20 Eu1 Eu2 138.69(8) 1_455 . ?
O6 Eu1 Eu2 34.67(8) 4_565 . ?
O1 Eu1 Eu2 101.88(8) 4_566 . ?
O8 Eu1 Eu2 84.09(8) 2_755 . ?
O1W Eu1 Eu2 148.88(9) . . ?
O12 Eu1 Eu2 72.37(8) . . ?
O11 Eu1 Eu2 74.05(9) . . ?
O3 Eu1 Eu2 34.84(7) . . ?
C4 Eu1 Eu2 74.20(10) . . ?
Eu3 Eu1 Eu2 65.191(11) . . ?
O19 Eu2 O3 148.85(12) . . ?
O19 Eu2 O18 87.06(13) . . ?
O3 Eu2 O18 84.05(11) . . ?
O19 Eu2 O6 141.51(12) . 4_565 ?
O3 Eu2 O6 69.64(11) . 4_565 ?
O18 Eu2 O6 101.94(11) . 4_565 ?
O19 Eu2 O5 71.10(12) . . ?
O3 Eu2 O5 77.75(12) . . ?
O18 Eu2 O5 73.30(13) . . ?
O6 Eu2 O5 147.38(12) 4_565 . ?
O19 Eu2 O13 75.80(13) . 2_855 ?
O3 Eu2 O13 93.53(13) . 2_855 ?
O18 Eu2 O13 142.36(13) . 2_855 ?
O6 Eu2 O13 112.39(12) 4_565 2_855 ?
O5 Eu2 O13 69.51(13) . 2_855 ?
O19 Eu2 O4 78.99(12) . 4_565 ?
O3 Eu2 O4 126.60(11) . 4_565 ?
O18 Eu2 O4 136.07(12) . 4_565 ?
O6 Eu2 O4 68.57(11) 4_565 4_565 ?
O5 Eu2 O4 136.90(12) . 4_565 ?
O13 Eu2 O4 73.61(13) 2_855 4_565 ?
O19 Eu2 O2W 73.59(13) . . ?
O3 Eu2 O2W 127.32(12) . . ?
O18 Eu2 O2W 64.10(12) . . ?
O6 Eu2 O2W 77.03(12) 4_565 . ?
O5 Eu2 O2W 125.04(12) . . ?
O13 Eu2 O2W 137.37(14) 2_855 . ?
O4 Eu2 O2W 72.00(12) 4_565 . ?
O19 Eu2 O14 117.10(11) . 2_855 ?
O3 Eu2 O14 71.25(10) . 2_855 ?
O18 Eu2 O14 154.64(11) . 2_855 ?
O6 Eu2 O14 64.60(10) 4_565 2_855 ?
O5 Eu2 O14 105.88(11) . 2_855 ?
O13 Eu2 O14 48.28(12) 2_855 2_855 ?
O4 Eu2 O14 61.60(11) 4_565 2_855 ?
O2W Eu2 O14 127.51(12) . 2_855 ?
O19 Eu2 C33 96.14(14) . 2_855 ?
O3 Eu2 C33 82.17(13) . 2_855 ?
O18 Eu2 C33 158.25(13) . 2_855 ?
O6 Eu2 C33 88.92(13) 4_565 2_855 ?
O5 Eu2 C33 87.35(13) . 2_855 ?
O13 Eu2 C33 23.69(13) 2_855 2_855 ?
O4 Eu2 C33 65.44(13) 4_565 2_855 ?
O2W Eu2 C33 137.40(13) . 2_855 ?
O14 Eu2 C33 24.60(12) 2_855 2_855 ?
O19 Eu2 Eu3 117.49(9) . 4_565 ?
O3 Eu2 Eu3 88.64(8) . 4_565 ?
O18 Eu2 Eu3 136.69(9) . 4_565 ?
O6 Eu2 Eu3 36.69(7) 4_565 4_565 ?
O5 Eu2 Eu3 145.98(9) . 4_565 ?
O13 Eu2 Eu3 80.56(9) 2_855 4_565 ?
O4 Eu2 Eu3 38.74(8) 4_565 4_565 ?
O2W Eu2 Eu3 87.98(9) . 4_565 ?
O14 Eu2 Eu3 40.15(7) 2_855 4_565 ?
C33 Eu2 Eu3 59.73(10) 2_855 4_565 ?
O19 Eu2 Eu1 169.49(9) . . ?
O3 Eu2 Eu1 36.99(8) . . ?
O18 Eu2 Eu1 85.30(9) . . ?
O6 Eu2 Eu1 34.64(8) 4_565 . ?
O5 Eu2 Eu1 113.35(9) . . ?
O13 Eu2 Eu1 114.56(10) 2_855 . ?
O4 Eu2 Eu1 101.67(8) 4_565 . ?
O2W Eu2 Eu1 96.53(9) . . ?
O14 Eu2 Eu1 71.61(7) 2_855 . ?
C33 Eu2 Eu1 93.62(10) 2_855 . ?
Eu3 Eu2 Eu1 64.654(10) 4_565 . ?
O19 Eu2 H2WB 73.7(12) . . ?
O3 Eu2 H2WB 118.5(11) . . ?
O18 Eu2 H2WB 46.3(7) . . ?
O6 Eu2 H2WB 85.7(10) 4_565 . ?
O5 Eu2 H2WB 110.0(7) . . ?
O13 Eu2 H2WB 147.5(12) 2_855 . ?
O4 Eu2 H2WB 89.7(7) 4_565 . ?
O2W Eu2 H2WB 17.9(6) . . ?
O14 Eu2 H2WB 144.0(7) 2_855 . ?
C33 Eu2 H2WB 154.8(8) 2_855 . ?
Eu3 Eu2 H2WB 103.9(7) 4_565 . ?
Eu1 Eu2 H2WB 95.8(12) . . ?
O17 Eu3 O7 97.85(13) . 3_756 ?
O17 Eu3 O3 96.96(12) . . ?
O7 Eu3 O3 142.34(12) 3_756 . ?
O17 Eu3 O6 144.96(12) . . ?
O7 Eu3 O6 88.13(12) 3_756 . ?
O3 Eu3 O6 99.04(11) . . ?
O17 Eu3 O12 74.40(12) . . ?
O7 Eu3 O12 81.82(12) 3_756 . ?
O3 Eu3 O12 69.21(11) . . ?
O6 Eu3 O12 140.58(11) . . ?
O17 Eu3 O4 84.30(12) . . ?
O7 Eu3 O4 139.28(12) 3_756 . ?
O3 Eu3 O4 76.58(11) . . ?
O6 Eu3 O4 69.53(11) . . ?
O12 Eu3 O4 136.58(11) . . ?
O17 Eu3 O14 77.09(12) . 3_856 ?
O7 Eu3 O14 73.43(12) 3_756 3_856 ?
O3 Eu3 O14 143.89(12) . 3_856 ?
O6 Eu3 O14 71.63(12) . 3_856 ?
O12 Eu3 O14 138.91(12) . 3_856 ?
O4 Eu3 O14 67.43(12) . 3_856 ?
O17 Eu3 O1 140.69(12) . 4_566 ?
O7 Eu3 O1 77.78(12) 3_756 4_566 ?
O3 Eu3 O1 68.93(11) . 4_566 ?
O6 Eu3 O1 74.34(11) . 4_566 ?
O12 Eu3 O1 66.30(11) . 4_566 ?
O4 Eu3 O1 124.37(11) . 4_566 ?
O14 Eu3 O1 135.56(11) 3_856 4_566 ?
O17 Eu3 Eu1 106.51(9) . . ?
O7 Eu3 Eu1 101.39(9) 3_756 . ?
O3 Eu3 Eu1 41.04(8) . . ?
O6 Eu3 Eu1 106.03(8) . . ?
O12 Eu3 Eu1 40.63(8) . . ?
O4 Eu3 Eu1 117.05(8) . . ?
O14 Eu3 Eu1 174.23(8) 3_856 . ?
O1 Eu3 Eu1 39.27(8) 4_566 . ?
O17 Eu3 Eu2 108.06(9) . 4_566 ?
O7 Eu3 Eu2 104.27(9) 3_756 4_566 ?
O3 Eu3 Eu2 103.67(8) . 4_566 ?
O6 Eu3 Eu2 37.67(8) . 4_566 ?
O12 Eu3 Eu2 172.83(8) . 4_566 ?
O4 Eu3 Eu2 38.87(8) . 4_566 ?
O14 Eu3 Eu2 47.82(9) 3_856 4_566 ?
O1 Eu3 Eu2 110.88(8) 4_566 4_566 ?
Eu1 Eu3 Eu2 133.055(13) . 4_566 ?
O17 Eu3 Eu1 144.58(9) . 4_566 ?
O7 Eu3 Eu1 58.96(9) 3_756 4_566 ?
O3 Eu3 Eu1 117.84(8) . 4_566 ?
O6 Eu3 Eu1 29.71(8) . 4_566 ?
O12 Eu3 Eu1 122.32(8) . 4_566 ?
O4 Eu3 Eu1 96.85(8) . 4_566 ?
O14 Eu3 Eu1 70.92(8) 3_856 4_566 ?
O1 Eu3 Eu1 65.33(8) 4_566 4_566 ?
Eu1 Eu3 Eu1 104.352(16) . 4_566 ?
Eu2 Eu3 Eu1 59.606(15) 4_566 4_566 ?
O17 Eu3 Eu2 69.06(9) . . ?
O7 Eu3 Eu2 149.98(9) 3_756 . ?
O3 Eu3 Eu2 28.68(8) . . ?
O6 Eu3 Eu2 118.41(8) . . ?
O12 Eu3 Eu2 68.81(8) . . ?
O4 Eu3 Eu2 68.32(8) . . ?
O14 Eu3 Eu2 125.91(8) 3_856 . ?
O1 Eu3 Eu2 95.23(8) 4_566 . ?
Eu1 Eu3 Eu2 59.863(16) . . ?
Eu2 Eu3 Eu2 105.477(15) 4_566 . ?
Eu1 Eu3 Eu2 143.922(11) 4_566 . ?
Eu1 O1W H1WB 137(4) . . ?
Eu1 O1W H1WA 108(4) . . ?
H1WB O1W H1WA 114(3) . . ?
C1 O1 Eu1 124.7(3) . 4_565 ?
C1 O1 Eu3 134.5(4) . 4_565 ?
Eu1 O1 Eu3 99.70(12) 4_565 4_565 ?
C1 O2 Eu1 141.3(4) . . ?
Eu2 O2W H2WB 96(4) . . ?
Eu2 O2W H2WA 120(4) . . ?
H2WB O2W H2WA 114(3) . . ?
Eu3 O3 Eu2 123.09(13) . . ?
Eu3 O3 Eu1 101.05(11) . . ?
Eu2 O3 Eu1 108.17(12) . . ?
C2 O4 Eu3 127.3(3) . . ?
C2 O4 Eu2 129.1(3) . 4_566 ?
Eu3 O4 Eu2 102.39(12) . 4_566 ?
C2 O5 Eu2 140.8(4) . . ?
Eu3 O6 Eu1 121.28(13) . 4_566 ?
Eu3 O6 Eu2 105.65(12) . 4_566 ?
Eu1 O6 Eu2 110.69(13) 4_566 4_566 ?
C17 O7 Eu3 132.0(3) . 3_756 ?
C17 O8 Eu1 126.2(3) . 2_745 ?
C13 O9 C18 118.2(4) . . ?
C6 O10 C19 119.3(4) . . ?
C4 O11 Eu1 92.6(3) . . ?
C4 O12 Eu3 157.9(3) . . ?
C4 O12 Eu1 93.3(3) . . ?
Eu3 O12 Eu1 99.69(11) . . ?
C33 O13 Eu2 104.0(3) . 2_845 ?
C33 O14 Eu3 135.4(3) . 3_856 ?
C33 O14 Eu2 85.4(3) . 2_845 ?
Eu3 O14 Eu2 92.03(11) 3_856 2_845 ?
C29 O15 C34 119.3(5) . . ?
C22 O16 C35 119.4(5) . . ?
C20 O17 Eu3 131.5(3) . . ?
C20 O18 Eu2 146.1(3) . . ?
C3 O19 Eu2 131.3(3) . . ?
C3 O20 Eu1 141.0(4) . 1_655 ?
O2 C1 O1 127.4(6) . . ?
O2 C1 H1A 116.3 . . ?
O1 C1 H1A 116.3 . . ?
O5 C2 O4 126.4(5) . . ?
O5 C2 H2A 116.8 . . ?
O4 C2 H2A 116.8 . . ?
O20 C3 O19 127.3(5) . . ?
O20 C3 H3A 116.3 . . ?
O19 C3 H3A 116.3 . . ?
O11 C4 O12 120.9(4) . . ?
O11 C4 C5 121.6(5) . . ?
O12 C4 C5 117.1(5) . . ?
O11 C4 Eu1 61.7(3) . . ?
O12 C4 Eu1 60.3(2) . . ?
C5 C4 Eu1 163.2(4) . . ?
C10 C5 C6 117.7(5) . . ?
C10 C5 C4 119.1(5) . . ?
C6 C5 C4 123.2(5) . . ?
O10 C6 C7 123.9(5) . . ?
O10 C6 C5 116.2(4) . . ?
C7 C6 C5 119.9(5) . . ?
C6 C7 C8 122.2(5) . . ?
C6 C7 H7A 118.9 . . ?
C8 C7 H7A 118.9 . . ?
C9 C8 C7 117.4(5) . . ?
C9 C8 C11 120.3(5) . . ?
C7 C8 C11 122.3(5) . . ?
C10 C9 C8 120.6(5) . . ?
C10 C9 H9A 119.7 . . ?
C8 C9 H9A 119.7 . . ?
C5 C10 C9 122.2(5) . . ?
C5 C10 H10A 118.9 . . ?
C9 C10 H10A 118.9 . . ?
C16 C11 C12 118.1(5) . . ?
C16 C11 C8 120.6(5) . . ?
C12 C11 C8 121.3(5) . . ?
C13 C12 C11 121.1(5) . . ?
C13 C12 H12A 119.4 . . ?
C11 C12 H12A 119.4 . . ?
O9 C13 C12 123.6(5) . . ?
O9 C13 C14 116.5(4) . . ?
C12 C13 C14 119.8(5) . . ?
C15 C14 C13 118.3(5) . . ?
C15 C14 C17 117.9(5) . . ?
C13 C14 C17 123.7(5) . . ?
C14 C15 C16 122.0(5) . . ?
C14 C15 H15A 119.0 . . ?
C16 C15 H15A 119.0 . . ?
C15 C16 C11 120.5(5) . . ?
C15 C16 H16A 119.7 . . ?
C11 C16 H16A 119.7 . . ?
O7 C17 O8 125.0(5) . . ?
O7 C17 C14 116.8(5) . . ?
O8 C17 C14 118.3(5) . . ?
O9 C18 H18A 109.5 . . ?
O9 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
O9 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
O10 C19 H19A 109.5 . . ?
O10 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
O10 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
O17 C20 O18 123.3(5) . . ?
O17 C20 C21 117.2(5) . . ?
O18 C20 C21 119.5(5) . . ?
C26 C21 C22 116.2(5) . . ?
C26 C21 C20 117.3(5) . . ?
C22 C21 C20 126.4(5) . . ?
O16 C22 C23 121.7(5) . . ?
O16 C22 C21 117.2(5) . . ?
C23 C22 C21 121.1(5) . . ?
C22 C23 C24 122.2(5) . . ?
C22 C23 H23A 118.9 . . ?
C24 C23 H23A 118.9 . . ?
C25 C24 C23 116.9(5) . . ?
C25 C24 C27 121.3(5) . . ?
C23 C24 C27 121.7(5) . . ?
C26 C25 C24 120.8(5) . . ?
C26 C25 H25A 119.6 . . ?
C24 C25 H25A 119.6 . . ?
C25 C26 C21 122.8(5) . . ?
C25 C26 H26A 118.6 . . ?
C21 C26 H26A 118.6 . . ?
C32 C27 C28 117.8(5) . . ?
C32 C27 C24 120.5(5) . . ?
C28 C27 C24 121.7(5) . . ?
C29 C28 C27 121.9(5) . . ?
C29 C28 H28A 119.0 . . ?
C27 C28 H28A 119.0 . . ?
O15 C29 C28 123.9(5) . . ?
O15 C29 C30 116.4(5) . . ?
C28 C29 C30 119.7(5) . . ?
C31 C30 C29 118.5(5) . . ?
C31 C30 C33 119.8(5) . . ?
C29 C30 C33 121.8(5) . . ?
C30 C31 C32 121.8(5) . . ?
C30 C31 H31A 119.1 . . ?
C32 C31 H31A 119.1 . . ?
C31 C32 C27 120.3(5) . . ?
C31 C32 H32A 119.8 . . ?
C27 C32 H32A 119.8 . . ?
O13 C33 O14 122.3(5) . . ?
O13 C33 C30 118.9(5) . . ?
O14 C33 C30 118.8(5) . . ?
O13 C33 Eu2 52.3(3) . 2_845 ?
O14 C33 Eu2 70.0(3) . 2_845 ?
C30 C33 Eu2 171.2(4) . 2_845 ?
O15 C34 H34A 109.5 . . ?
O15 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
O15 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
O16 C35 H35A 109.5 . . ?
O16 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
O16 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 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
Eu1 O2 2.372(4) . ?
Eu1 O20 2.430(3) 1_455 ?
Eu1 O6 2.434(3) 4_565 ?
Eu1 O1 2.434(3) 4_566 ?
Eu1 O8 2.439(3) 2_755 ?
Eu1 O1W 2.482(4) . ?
Eu1 O12 2.504(3) . ?
Eu1 O11 2.535(3) . ?
Eu1 O3 2.536(3) . ?
Eu1 C4 2.877(5) . ?
Eu1 Eu3 3.7908(7) . ?
Eu1 Eu2 4.0048(9) . ?
Eu2 O19 2.366(3) . ?
Eu2 O3 2.408(3) . ?
Eu2 O18 2.426(3) . ?
Eu2 O6 2.435(3) 4_565 ?
Eu2 O5 2.454(4) . ?
Eu2 O13 2.462(4) 2_855 ?
Eu2 O4 2.465(3) 4_565 ?
Eu2 O2W 2.546(4) . ?
Eu2 O14 2.845(4) 2_855 ?
Eu2 C33 3.019(5) 2_855 ?
Eu2 Eu3 3.8373(6) 4_565 ?
Eu2 H2WB 2.77(6) . ?
Eu3 O17 2.345(3) . ?
Eu3 O7 2.352(3) 3_756 ?
Eu3 O3 2.373(3) . ?
Eu3 O6 2.381(3) . ?
Eu3 O12 2.455(3) . ?
Eu3 O4 2.459(3) . ?
Eu3 O14 2.476(4) 3_856 ?
Eu3 O1 2.525(3) 4_566 ?
Eu3 Eu2 3.8373(6) 4_566 ?
Eu3 Eu1 4.1959(7) 4_566 ?
O1W H1WB 0.865(19) . ?
O1W H1WA 0.848(19) . ?
O1 C1 1.249(6) . ?
O1 Eu1 2.434(3) 4_565 ?
O1 Eu3 2.525(3) 4_565 ?
O2 C1 1.220(7) . ?
O2W H2WB 0.858(19) . ?
O2W H2WA 0.852(19) . ?
O4 C2 1.275(6) . ?
O4 Eu2 2.465(3) 4_566 ?
O5 C2 1.232(6) . ?
O6 Eu1 2.434(3) 4_566 ?
O6 Eu2 2.435(3) 4_566 ?
O7 C17 1.259(6) . ?
O7 Eu3 2.352(3) 3_756 ?
O8 C17 1.269(6) . ?
O8 Eu1 2.439(3) 2_745 ?
O9 C13 1.364(6) . ?
O9 C18 1.442(6) . ?
O10 C6 1.367(6) . ?
O10 C19 1.414(7) . ?
O11 C4 1.249(6) . ?
O12 C4 1.279(6) . ?
O13 C33 1.250(6) . ?
O13 Eu2 2.462(4) 2_845 ?
O14 C33 1.261(6) . ?
O14 Eu3 2.476(4) 3_856 ?
O14 Eu2 2.845(4) 2_845 ?
O15 C29 1.363(6) . ?
O15 C34 1.409(7) . ?
O16 C22 1.378(7) . ?
O16 C35 1.422(8) . ?
O17 C20 1.258(6) . ?
O18 C20 1.271(6) . ?
O19 C3 1.244(6) . ?
O20 C3 1.232(6) . ?
O20 Eu1 2.430(3) 1_655 ?
C1 H1A 0.9300 . ?
C2 H2A 0.9300 . ?
C3 H3A 0.9300 . ?
C4 C5 1.483(7) . ?
C5 C10 1.376(7) . ?
C5 C6 1.417(7) . ?
C6 C7 1.371(7) . ?
C7 C8 1.399(7) . ?
C7 H7A 0.9300 . ?
C8 C9 1.393(7) . ?
C8 C11 1.489(7) . ?
C9 C10 1.379(7) . ?
C9 H9A 0.9300 . ?
C10 H10A 0.9300 . ?
C11 C16 1.386(7) . ?
C11 C12 1.404(7) . ?
C12 C13 1.385(7) . ?
C12 H12A 0.9300 . ?
C13 C14 1.406(7) . ?
C14 C15 1.377(7) . ?
C14 C17 1.505(7) . ?
C15 C16 1.377(7) . ?
C15 H15A 0.9300 . ?
C16 H16A 0.9300 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 C21 1.492(7) . ?
C21 C26 1.392(7) . ?
C21 C22 1.405(7) . ?
C22 C23 1.384(7) . ?
C23 C24 1.396(8) . ?
C23 H23A 0.9300 . ?
C24 C25 1.393(7) . ?
C24 C27 1.490(7) . ?
C25 C26 1.385(7) . ?
C25 H25A 0.9300 . ?
C26 H26A 0.9300 . ?
C27 C32 1.395(7) . ?
C27 C28 1.399(7) . ?
C28 C29 1.381(7) . ?
C28 H28A 0.9300 . ?
C29 C30 1.405(7) . ?
C30 C31 1.379(7) . ?
C30 C33 1.507(7) . ?
C31 C32 1.387(7) . ?
C31 H31A 0.9300 . ?
C32 H32A 0.9300 . ?
C33 Eu2 3.019(5) 2_845 ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
