#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:29:18 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180396 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/65/7206594.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_7206594
loop_
_publ_author_name
'Tanase, Stefania'
'Mittelmeijer-Hazeleger, Marjo C.'
'Rothenberg, Gadi'
'Mathonière, Corine'
'Jubera, Véronique'
'Smits, Jan M. M.'
'de Gelder, René'
_publ_section_title
;
 A facile building-block synthesis of multifunctional lanthanide MOFs
;
_journal_issue                   39
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              15544
_journal_paper_doi               10.1039/c1jm12789f
_journal_volume                  21
_journal_year                    2011
_chemical_formula_sum            'C25 H44 Eu2 Mo N12 O17'
_chemical_formula_weight         1184.58
_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_date             2006-07-27
_audit_creation_method           'SHELXL, adapted and expanded'
_cell_angle_alpha                90.00
_cell_angle_beta                 98.338(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.8137(13)
_cell_length_b                   19.040(2)
_cell_length_c                   19.246(4)
_cell_measurement_reflns_used    453
_cell_measurement_temperature    208(2)
_cell_measurement_theta_max      27.490
_cell_measurement_theta_min      2.140
_cell_volume                     3920.7(10)
_computing_data_collection
;
Nonius "Collect" program suite (Nonius, 1999)
;
_computing_data_reduction
;
Nonius "EvalCCD" program suite (Duisenberg, 1998)
;
_computing_molecular_graphics
;
PLATON (Spek, 2003)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution
;
DIRDIF (Beurskens et al., 1996),
PATTY (Beurskens et al., 1987)
;
_diffrn_ambient_temperature      208(2)
_diffrn_detector_area_resol_mean 18.4
_diffrn_measured_fraction_theta_full 0.951
_diffrn_measured_fraction_theta_max 0.933
_diffrn_measurement_device       'Nonius KappaCCD'
_diffrn_measurement_method       'area detector φ and ω scan'
_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  0.0276
_diffrn_reflns_av_sigmaI/netI    0.0232
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            57131
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.14
_diffrn_standards_decay_%        0.000
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.561
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  1.000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS multiscan (Sheldrick, 1996)'
_exptl_crystal_colour            'translucent orange-red'
_exptl_crystal_density_diffrn    2.007
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'regular fragment'
_exptl_crystal_F_000             2328
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.250
_refine_diff_density_min         -1.535
_refine_diff_density_rms         0.170
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.219
_refine_ls_goodness_of_fit_ref   1.219
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     579
_refine_ls_number_reflns         8650
_refine_ls_number_restraints     41
_refine_ls_restrained_S_all      1.218
_refine_ls_R_factor_all          0.0511
_refine_ls_R_factor_gt           0.0378
_refine_ls_R_factor_obs          0.0378
_refine_ls_shift/esd_max         0.002
_refine_ls_shift/esd_mean        0.000
_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)+(0.0106P)²+40.9727P] where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0873
_refine_ls_wR_factor_gt          0.0813
_refine_ls_wR_factor_obs         0.0813
_refine_ls_wR_factor_ref         0.0873
_reflns_number_gt                7236
_reflns_number_observed          7236
_reflns_number_total             8650
_reflns_observed_criterion       >2sigma(I)
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1jm12789f.txt
_cod_data_source_block           LEID53
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (81
time).

'_geom_angle_publ_flag' value 'Y' changed to 'y' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (164 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        3920.8(10)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7206594
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.58507(3) 0.374693(14) 0.857025(13) 0.01094(7) Uani 1 d . . .
N10 N 0.7551(5) 0.4623(3) 0.9173(3) 0.0175(10) Uani 1 d . . .
C11 C 0.7422(6) 0.5075(3) 0.9684(3) 0.0219(13) Uani 1 d . . .
H11 H 0.6726 0.5031 0.9922 0.026 Uiso 1 calc R . .
C12 C 0.8273(6) 0.5607(3) 0.9879(3) 0.0226(13) Uani 1 d . . .
N13 N 0.9282(5) 0.5676(3) 0.9563(3) 0.0229(11) Uani 1 d . . .
C14 C 0.9435(6) 0.5218(3) 0.9063(3) 0.0214(13) Uani 1 d . . .
H14 H 1.0150 0.5251 0.8839 0.026 Uiso 1 calc R . .
C15 C 0.8578(5) 0.4696(3) 0.8862(3) 0.0172(12) Uani 1 d . . .
C16 C 0.8063(7) 0.6126(4) 1.0432(4) 0.0362(18) Uani 1 d . . .
H16A H 0.8820 0.6173 1.0766 0.054 Uiso 1 calc R . .
H16B H 0.7388 0.5964 1.0673 0.054 Uiso 1 calc R . .
H16C H 0.7844 0.6578 1.0215 0.054 Uiso 1 calc R . .
C17 C 0.8711(6) 0.4195(3) 0.8279(3) 0.0183(12) Uani 1 d . . .
O18 O 0.9723(4) 0.4173(3) 0.8043(2) 0.0258(10) Uani 1 d . . .
O19 O 0.7775(4) 0.3829(2) 0.8067(2) 0.0220(9) Uani 1 d . . .
N20 N 0.4688(5) 0.2601(2) 0.8878(2) 0.0150(10) Uani 1 d . . .
C21 C 0.5157(6) 0.2077(3) 0.9284(3) 0.0193(12) Uani 1 d . . .
H21 H 0.5987 0.2109 0.9508 0.023 Uiso 1 calc R . .
C22 C 0.4471(6) 0.1484(3) 0.9390(3) 0.0196(12) Uani 1 d . . .
N23 N 0.3314(5) 0.1404(3) 0.9061(3) 0.0251(12) Uani 1 d . . .
C24 C 0.2834(6) 0.1928(3) 0.8649(3) 0.0252(14) Uani 1 d . . .
H24 H 0.2015 0.1887 0.8410 0.030 Uiso 1 calc R . .
C25 C 0.3508(5) 0.2530(3) 0.8564(3) 0.0167(12) Uani 1 d . . .
C26 C 0.5010(7) 0.0921(4) 0.9876(4) 0.0327(16) Uani 1 d . . .
H26A H 0.4400 0.0778 1.0172 0.049 Uiso 1 calc R . .
H26B H 0.5754 0.1095 1.0167 0.049 Uiso 1 calc R . .
H26C H 0.5228 0.0521 0.9606 0.049 Uiso 1 calc R . .
C27 C 0.2979(6) 0.3136(3) 0.8135(3) 0.0183(12) Uani 1 d . . .
O28 O 0.1882(4) 0.3088(2) 0.7825(2) 0.0249(10) Uani 1 d . . .
O29 O 0.3658(4) 0.3667(2) 0.8131(2) 0.0197(9) Uani 1 d . . .
N31 N 0.4904(5) 0.4914(3) 0.8734(3) 0.0187(10) Uani 1 d . . .
N32 N 0.5456(5) 0.3770(3) 0.9802(2) 0.0191(10) Uani 1 d . . .
N33 N 0.5765(5) 0.2867(3) 0.7637(3) 0.0203(11) Uani 1 d . . .
O41 O 0.7443(4) 0.2973(2) 0.9208(2) 0.0267(10) Uani 1 d . . .
C41 C 0.811(3) 0.250(2) 0.888(2) 0.46(3) Uiso 1 d D . .
H41A H 0.8478 0.2260 0.9318 0.553 Uiso 1 calc R A 1
H41B H 0.8765 0.2827 0.8797 0.553 Uiso 1 calc R A 1
C42A C 0.849(2) 0.1915(10) 0.8385(9) 0.055(5) Uani 0.50 d PD B 1
H42A H 0.7781 0.1611 0.8238 0.083 Uiso 0.50 calc PR B 1
H42B H 0.9173 0.1639 0.8630 0.083 Uiso 0.50 calc PR B 1
H42C H 0.8757 0.2132 0.7975 0.083 Uiso 0.50 calc PR B 1
C42B C 0.9500(16) 0.2486(11) 0.8757(10) 0.054(5) Uani 0.50 d PD B 2
H42D H 0.9835 0.2959 0.8798 0.081 Uiso 0.50 calc PR B 2
H42E H 0.9549 0.2306 0.8290 0.081 Uiso 0.50 calc PR B 2
H42F H 0.9983 0.2186 0.9103 0.081 Uiso 0.50 calc PR B 2
O43 O 0.5537(5) 0.4477(2) 0.7476(2) 0.0287(11) Uani 1 d . . .
C43 C 0.5846(10) 0.4362(5) 0.6796(4) 0.051(2) Uani 1 d . . .
H43A H 0.6275 0.4771 0.6649 0.077 Uiso 1 calc R . .
H43B H 0.5089 0.4281 0.6469 0.077 Uiso 1 calc R . .
H43C H 0.6387 0.3955 0.6803 0.077 Uiso 1 calc R . .
Eu2 Eu 0.04951(3) 0.128981(16) 0.201090(15) 0.01653(7) Uani 1 d D . .
O51 O -0.0706(4) 0.1402(3) 0.0850(2) 0.0284(10) Uani 1 d D . .
H51A H -0.034(3) 0.163(3) 0.0527(14) 0.034 Uiso 1 d D . .
H51B H -0.142(3) 0.166(3) 0.0817(15) 0.034 Uiso 1 d D . .
O52 O 0.1974(4) 0.0379(2) 0.2517(2) 0.0245(10) Uani 1 d D . .
H52A H 0.261(3) 0.0570(15) 0.283(3) 0.029 Uiso 1 d D . .
H52B H 0.167(3) 0.009(2) 0.282(2) 0.029 Uiso 1 d D . .
O53 O -0.1206(4) 0.2018(3) 0.2238(2) 0.0306(11) Uani 1 d D . .
H53A H -0.187(3) 0.1807(18) 0.239(3) 0.037 Uiso 1 d D . .
H53B H -0.164(4) 0.226(3) 0.1880(18) 0.037 Uiso 1 d D . .
O54 O 0.2048(5) 0.1135(3) 0.1281(3) 0.0414(14) Uani 1 d D . .
H54A H 0.214(5) 0.142(2) 0.092(3) 0.050 Uiso 1 d D . .
H54B H 0.215(6) 0.0717(15) 0.107(3) 0.050 Uiso 1 d D . .
O55 O 0.0838(4) 0.2457(3) 0.1528(3) 0.0291(11) Uani 1 d D . .
H55A H 0.163(3) 0.260(2) 0.159(3) 0.035 Uiso 1 d D . .
H55B H 0.068(6) 0.2477(18) 0.1059(11) 0.035 Uiso 1 d D . .
O56 O -0.0547(6) 0.0238(3) 0.1682(3) 0.0450(15) Uani 1 d D . .
H56A H -0.047(6) -0.0156(15) 0.196(2) 0.054 Uiso 1 d D . .
H56B H -0.046(6) 0.001(2) 0.127(2) 0.054 Uiso 1 d D . .
Mo1 Mo 0.53872(4) 0.16168(2) 0.64600(2) 0.01002(10) Uani 1 d . . .
C31 C 0.4812(6) 0.5508(3) 0.8686(3) 0.0159(12) Uani 1 d . . .
C32 C 0.5375(5) 0.3642(3) 1.0377(3) 0.0129(11) Uani 1 d . . .
C33 C 0.5596(5) 0.2434(3) 0.7224(3) 0.0139(11) Uani 1 d . . .
C34 C 0.3541(6) 0.1427(3) 0.6715(3) 0.0219(13) Uani 1 d . . .
N34 N 0.2577(5) 0.1342(3) 0.6878(3) 0.0325(14) Uani 1 d . . .
C35 C 0.7295(6) 0.1276(3) 0.6632(3) 0.0206(12) Uani 1 d . . .
N35 N 0.8302(6) 0.1073(4) 0.6727(3) 0.0369(15) Uani 1 d . . .
C36 C 0.5689(6) 0.1139(3) 0.7492(3) 0.0191(12) Uani 1 d . . .
N36 N 0.5850(6) 0.0861(3) 0.8025(3) 0.0328(14) Uani 1 d . . .
C37 C 0.6489(5) 0.2417(3) 0.6051(3) 0.0157(11) Uani 1 d . . .
N37 N 0.7112(5) 0.2830(3) 0.5843(3) 0.0249(12) Uani 1 d . . .
C38 C 0.4068(6) 0.2374(3) 0.5937(3) 0.0222(13) Uani 1 d . . .
N38 N 0.3368(6) 0.2780(4) 0.5682(3) 0.0388(16) Uani 1 d . . .
O61 O 0.2581(5) 0.9815(3) 0.0893(3) 0.0385(13) Uani 1 d . . .
H61 H 0.3193 0.9669 0.1164 0.058 Uiso 1 calc R . .
C61 C 0.168(2) 0.9375(14) 0.0871(11) 0.191(11) Uani 1 d . . .
H61A H 0.1387 0.9510 0.1310 0.229 Uiso 1 calc R . .
H61B H 0.2181 0.8952 0.0997 0.229 Uiso 1 calc R . .
C62 C 0.0419(15) 0.8997(9) 0.0493(7) 0.110(5) Uani 1 d . . .
H62C H -0.0276 0.9322 0.0472 0.165 Uiso 1 calc R . .
H62D H 0.0249 0.8585 0.0761 0.165 Uiso 1 calc R . .
H62E H 0.0527 0.8858 0.0021 0.165 Uiso 1 calc R . .
O62 O 0.1836(5) 0.4659(3) 0.4489(3) 0.0420(14) Uani 1 d D . .
H62A H 0.254(4) 0.444(4) 0.438(4) 0.050 Uiso 1 d D . .
H62B H 0.221(6) 0.484(4) 0.491(2) 0.050 Uiso 1 d D . .
O63 O 0.0625(5) 0.0965(3) 0.7645(3) 0.0380(13) Uani 1 d D . .
H63A H 0.116(5) 0.117(4) 0.737(3) 0.046 Uiso 1 d D . .
H63B H -0.009(4) 0.108(4) 0.734(3) 0.046 Uiso 1 d D . .
O64 O 0.9130(5) 0.1833(3) 0.5427(3) 0.0369(12) Uani 1 d D . .
H64A H 0.969(6) 0.148(3) 0.538(4) 0.044 Uiso 1 d D . .
H64B H 0.887(7) 0.164(4) 0.582(3) 0.044 Uiso 1 d D . .
O65 O 0.0903(9) 0.3260(6) 0.4855(5) 0.116(4) Uani 1 d . . .
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'
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'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 '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
O29 Eu1 O19 136.34(14) . . y
O29 Eu1 N33 76.61(16) . . y
O19 Eu1 N33 72.17(16) . . y
O29 Eu1 O41 136.26(15) . . y
O19 Eu1 O41 70.01(16) . . y
N33 Eu1 O41 84.59(17) . . y
O29 Eu1 N32 92.26(16) . . y
O19 Eu1 N32 131.35(16) . . y
N33 Eu1 N32 136.31(16) . . y
O41 Eu1 N32 74.74(16) . . y
O29 Eu1 N31 72.38(16) . . y
O19 Eu1 N31 112.73(16) . . y
N33 Eu1 N31 137.05(17) . . y
O41 Eu1 N31 138.15(16) . . y
N32 Eu1 N31 74.41(16) . . y
O29 Eu1 O43 74.50(15) . . y
O19 Eu1 O43 69.38(15) . . y
N33 Eu1 O43 77.07(16) . . y
O41 Eu1 O43 138.85(16) . . y
N32 Eu1 O43 140.92(15) . . y
N31 Eu1 O43 66.57(15) . . y
O29 Eu1 N10 141.95(15) . . y
O19 Eu1 N10 63.20(14) . . y
N33 Eu1 N10 135.13(16) . . y
O41 Eu1 N10 76.39(15) . . y
N32 Eu1 N10 76.84(16) . . y
N31 Eu1 N10 69.58(16) . . y
O43 Eu1 N10 91.15(16) . . y
O29 Eu1 N20 63.07(15) . . y
O19 Eu1 N20 127.57(15) . . y
N33 Eu1 N20 68.22(15) . . y
O41 Eu1 N20 73.33(15) . . y
N32 Eu1 N20 69.10(15) . . y
N31 Eu1 N20 119.62(16) . . y
O43 Eu1 N20 129.71(16) . . y
N10 Eu1 N20 139.05(15) . . y
C11 N10 C15 116.5(5) . . y
C11 N10 Eu1 126.6(4) . . y
C15 N10 Eu1 116.1(4) . . y
N10 C11 C12 122.6(6) . . y
N10 C11 H11 118.7 . . ?
C12 C11 H11 118.7 . . ?
N13 C12 C11 120.3(6) . . y
N13 C12 C16 118.7(6) . . y
C11 C12 C16 121.0(6) . . y
C14 N13 C12 117.7(5) . . y
N13 C14 C15 121.9(6) . . y
N13 C14 H14 119.0 . . ?
C15 C14 H14 119.0 . . ?
N10 C15 C14 121.1(6) . . y
N10 C15 C17 116.4(5) . . y
C14 C15 C17 122.5(5) . . y
C12 C16 H16A 109.5 . . ?
C12 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C12 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
O18 C17 O19 125.2(6) . . y
O18 C17 C15 118.7(5) . . y
O19 C17 C15 116.1(5) . . y
C17 O18 Eu2 137.3(4) . 4_666 y
C17 O19 Eu1 127.4(4) . . y
C21 N20 C25 116.8(5) . . y
C21 N20 Eu1 127.2(4) . . y
C25 N20 Eu1 116.0(4) . . y
N20 C21 C22 122.4(6) . . y
N20 C21 H21 118.8 . . ?
C22 C21 H21 118.8 . . ?
N23 C22 C21 120.8(5) . . y
N23 C22 C26 118.3(6) . . y
C21 C22 C26 120.9(6) . . y
C22 N23 C24 117.2(5) . . y
N23 C24 C25 121.7(6) . . y
N23 C24 H24 119.2 . . ?
C25 C24 H24 119.2 . . ?
N20 C25 C24 121.1(6) . . y
N20 C25 C27 116.0(5) . . y
C24 C25 C27 122.9(6) . . y
C22 C26 H26A 109.5 . . ?
C22 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C22 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
O28 C27 O29 125.0(6) . . y
O28 C27 C25 118.1(5) . . y
O29 C27 C25 116.9(5) . . y
C27 O28 Eu2 139.2(4) . 4_566 y
C27 O29 Eu1 126.8(4) . . y
C31 N31 Eu1 155.7(5) . . y
C32 N32 Eu1 165.7(4) . . y
C33 N33 Eu1 172.1(5) . . y
C41 O41 Eu1 123(2) . . y
O41 C41 C42B 132(2) . . y
O41 C41 C42A 163(3) . . y
C42B C41 C42A 63.1(14) . . y
O41 C41 H41A 95.2 . . ?
C42B C41 H41A 81.3 . . ?
C42A C41 H41A 95.2 . . ?
O41 C41 H41B 95.2 . . ?
C42B C41 H41B 41.0 . . ?
C42A C41 H41B 95.2 . . ?
H41A C41 H41B 103.2 . . ?
C41 C42A H42A 109.5 . . ?
C41 C42A H42B 109.5 . . ?
C41 C42A H42C 109.5 . . ?
C41 C42B H42D 109.5 . . ?
C41 C42B H42E 109.5 . . ?
H42D C42B H42E 109.5 . . ?
C41 C42B H42F 109.5 . . ?
H42D C42B H42F 109.5 . . ?
H42E C42B H42F 109.5 . . ?
C43 O43 Eu1 132.2(4) . . y
O43 C43 H43A 109.5 . . ?
O43 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
O43 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
O28 Eu2 O56 148.78(17) 4_565 . y
O28 Eu2 O54 91.15(19) 4_565 . y
O56 Eu2 O54 95.0(2) . . y
O28 Eu2 O53 91.10(17) 4_565 . y
O56 Eu2 O53 101.1(2) . . y
O54 Eu2 O53 144.43(17) . . y
O28 Eu2 O51 141.39(16) 4_565 . y
O56 Eu2 O51 69.72(17) . . y
O54 Eu2 O51 78.15(19) . . y
O53 Eu2 O51 78.12(16) . . y
O28 Eu2 O18 84.18(16) 4_565 4_465 y
O56 Eu2 O18 72.64(18) . 4_465 y
O54 Eu2 O18 143.17(17) . 4_465 y
O53 Eu2 O18 72.33(15) . 4_465 y
O51 Eu2 O18 125.69(16) . 4_465 y
O28 Eu2 O55 71.14(16) 4_565 . y
O56 Eu2 O55 139.88(17) . . y
O54 Eu2 O55 74.23(17) . . y
O53 Eu2 O55 72.99(16) . . y
O51 Eu2 O55 70.25(16) . . y
O18 Eu2 O55 136.56(16) 4_465 . y
O28 Eu2 O52 76.93(15) 4_565 . y
O56 Eu2 O52 76.35(18) . . y
O54 Eu2 O52 70.75(17) . . y
O53 Eu2 O52 143.87(15) . . y
O51 Eu2 O52 131.08(15) . . y
O18 Eu2 O52 72.61(15) 4_465 . y
O55 Eu2 O52 131.41(16) . . y
Eu2 O51 H51A 116.6(19) . . y
Eu2 O51 H51B 116.6(19) . . y
H51A O51 H51B 98(2) . . y
Eu2 O52 H52A 111.3(18) . . y
Eu2 O52 H52B 114.2(19) . . y
H52A O52 H52B 97(2) . . y
Eu2 O53 H53A 118(2) . . y
Eu2 O53 H53B 119(2) . . y
H53A O53 H53B 97(2) . . y
Eu2 O54 H54A 123(2) . . y
Eu2 O54 H54B 121(2) . . y
H54A O54 H54B 99(2) . . y
Eu2 O55 H55A 114.5(19) . . y
Eu2 O55 H55B 113.7(19) . . y
H55A O55 H55B 100(3) . . y
Eu2 O56 H56A 123(2) . . y
Eu2 O56 H56B 122(2) . . y
H56A O56 H56B 95(2) . . y
C33 Mo1 C31 144.2(2) . 2_646 y
C33 Mo1 C32 145.7(2) . 4_565 y
C31 Mo1 C32 70.0(2) 2_646 4_565 y
C33 Mo1 C35 96.4(2) . . y
C31 Mo1 C35 78.3(2) 2_646 . y
C32 Mo1 C35 87.2(2) 4_565 . y
C33 Mo1 C37 74.1(2) . . y
C31 Mo1 C37 134.6(2) 2_646 . y
C32 Mo1 C37 74.5(2) 4_565 . y
C35 Mo1 C37 72.5(2) . . y
C33 Mo1 C34 88.5(2) . . y
C31 Mo1 C34 77.6(2) 2_646 . y
C32 Mo1 C34 108.0(2) 4_565 . y
C35 Mo1 C34 144.8(2) . . y
C37 Mo1 C34 141.5(2) . . y
C33 Mo1 C36 71.8(2) . . y
C31 Mo1 C36 72.8(2) 2_646 . y
C32 Mo1 C36 140.8(2) 4_565 . y
C35 Mo1 C36 73.6(2) . . y
C37 Mo1 C36 128.0(2) . . y
C34 Mo1 C36 75.0(2) . . y
C33 Mo1 C38 80.3(2) . . y
C31 Mo1 C38 123.3(2) 2_646 . y
C32 Mo1 C38 77.9(2) 4_565 . y
C35 Mo1 C38 145.7(2) . . y
C37 Mo1 C38 73.8(2) . . y
C34 Mo1 C38 69.5(2) . . y
C36 Mo1 C38 134.9(2) . . y
N31 C31 Mo1 177.1(5) . 2_656 y
N32 C32 Mo1 175.2(5) . 4_566 y
N33 C33 Mo1 176.9(5) . . y
N34 C34 Mo1 176.9(6) . . y
N35 C35 Mo1 177.9(6) . . y
N36 C36 Mo1 177.3(5) . . y
N37 C37 Mo1 177.6(5) . . y
N38 C38 Mo1 177.9(6) . . y
C61 O61 H61 109.5 . . ?
O61 C61 C62 153.2(19) . . y
O61 C61 H61A 98.2 . . ?
C62 C61 H61A 98.2 . . ?
O61 C61 H61B 98.2 . . ?
C62 C61 H61B 98.2 . . ?
H61A C61 H61B 103.8 . . ?
C61 C62 H62C 109.5 . . ?
C61 C62 H62D 109.5 . . ?
H62C C62 H62D 109.5 . . ?
C61 C62 H62E 109.5 . . ?
H62C C62 H62E 109.5 . . ?
H62D C62 H62E 109.5 . . ?
H62A O62 H62B 95(3) . . y
H63A O63 H63B 95(3) . . y
H64A O64 H64B 94(3) . . y
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 O29 2.403(4) . y
Eu1 O19 2.425(4) . y
Eu1 N33 2.448(5) . y
Eu1 O41 2.456(4) . y
Eu1 N32 2.469(5) . y
Eu1 N31 2.486(5) . y
Eu1 O43 2.505(4) . y
Eu1 N10 2.625(5) . y
Eu1 N20 2.629(5) . y
N10 C11 1.328(8) . y
N10 C15 1.343(7) . y
C11 C12 1.385(9) . y
C11 H11 0.9400 . ?
C12 N13 1.331(8) . y
C12 C16 1.492(8) . y
N13 C14 1.327(8) . y
C14 C15 1.376(8) . y
C14 H14 0.9400 . ?
C15 C17 1.496(8) . y
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 H16C 0.9700 . ?
C17 O18 1.245(7) . y
C17 O19 1.248(7) . y
O18 Eu2 2.428(4) 4_666 y
N20 C21 1.322(7) . y
N20 C25 1.337(8) . y
C21 C22 1.382(8) . y
C21 H21 0.9400 . ?
C22 N23 1.328(8) . y
C22 C26 1.485(8) . y
N23 C24 1.331(8) . y
C24 C25 1.381(9) . y
C24 H24 0.9400 . ?
C25 C27 1.485(8) . y
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C26 H26C 0.9700 . ?
C27 O28 1.251(7) . y
C27 O29 1.252(7) . y
O28 Eu2 2.330(4) 4_566 y
N31 C31 1.139(8) . y
N32 C32 1.150(7) . y
N33 C33 1.141(7) . y
O41 C41 1.37(2) . y
C41 C42B 1.556(19) . y
C41 C42A 1.559(19) . y
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C42A H42A 0.9700 . ?
C42A H42B 0.9700 . ?
C42A H42C 0.9700 . ?
C42B H42D 0.9700 . ?
C42B H42E 0.9700 . ?
C42B H42F 0.9700 . ?
O43 C43 1.414(8) . y
C43 H43A 0.9700 . ?
C43 H43B 0.9700 . ?
C43 H43C 0.9700 . ?
Eu2 O28 2.330(4) 4_565 y
Eu2 O56 2.340(5) . y
Eu2 O54 2.360(5) . y
Eu2 O53 2.394(5) . y
Eu2 O51 2.425(5) . y
Eu2 O18 2.428(4) 4_465 y
Eu2 O55 2.458(5) . y
Eu2 O52 2.462(4) . y
O51 H51A 0.899(19) . y
O51 H51B 0.905(19) . y
O52 H52A 0.920(19) . y
O52 H52B 0.900(19) . y
O53 H53A 0.907(19) . y
O53 H53B 0.902(19) . y
O54 H54A 0.894(18) . y
O54 H54B 0.908(19) . y
O55 H55A 0.891(19) . y
O55 H55B 0.896(19) . y
O56 H56A 0.917(19) . y
O56 H56B 0.915(19) . y
Mo1 C33 2.131(5) . y
Mo1 C31 2.136(6) 2_646 y
Mo1 C32 2.139(5) 4_565 y
Mo1 C35 2.142(6) . y
Mo1 C37 2.153(6) . y
Mo1 C34 2.155(7) . y
Mo1 C36 2.166(6) . y
Mo1 C38 2.170(6) . y
C31 Mo1 2.136(6) 2_656 y
C32 Mo1 2.139(5) 4_566 y
C34 N34 1.142(8) . y
C35 N35 1.145(8) . y
C36 N36 1.146(8) . y
C37 N37 1.144(8) . y
C38 N38 1.142(8) . y
O61 C61 1.28(2) . y
O61 H61 0.8300 . ?
C61 C62 1.62(2) . y
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C62 H62C 0.9700 . ?
C62 H62D 0.9700 . ?
C62 H62E 0.9700 . ?
O62 H62A 0.92(2) . y
O62 H62B 0.92(2) . y
O63 H63A 0.92(2) . y
O63 H63B 0.92(2) . y
O64 H64A 0.92(2) . y
O64 H64B 0.93(2) . y
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O51 H51B N37 0.905(19) 1.87(2) 2.775(7) 174(3) 4_465
O51 H51A O65 0.899(19) 2.00(3) 2.842(11) 154(5) 4_565
O52 H52A O29 0.920(19) 1.88(3) 2.717(6) 150(3) 4_565
O52 H52B N35 0.900(19) 2.38(2) 3.159(8) 145(4) 3_656
O53 H53A O19 0.907(19) 1.86(3) 2.620(6) 140(4) 4_465
O53 H53B N37 0.902(19) 2.25(4) 3.031(7) 145(5) 4_465
O54 H54A N38 0.894(18) 2.12(5) 2.848(8) 138(6) 4_565
O54 H54A O65 0.894(18) 2.36(6) 3.067(12) 136(6) 4_565
O54 H54B O61 0.908(19) 1.82(3) 2.707(8) 164(7) 1_545
O55 H55A N34 0.891(19) 2.29(3) 2.975(8) 133(4) 4_565
O55 H55B O64 0.896(19) 2.32(5) 2.932(8) 125(5) 4_465
O56 H56A O63 0.917(19) 1.737(17) 2.638(7) 167(4) 3_556
O56 H56B O62 0.915(19) 2.05(5) 2.707(7) 128(6) 2_545
O61 H61 N36 0.83 2.01 2.801(8) 158.3 3_666
O62 H62A N23 0.92(2) 1.95(4) 2.777(7) 149(7) 4_565
O62 H62B O61 0.92(2) 1.99(3) 2.883(7) 165(7) 4_576
O63 H63A N34 0.92(2) 1.95(3) 2.838(8) 163(7) .
O63 H63B N35 0.92(2) 1.96(3) 2.860(8) 166(7) 1_455
O64 H64A N13 0.92(2) 1.88(3) 2.792(7) 169(6) 2_746
O64 H64B N35 0.93(2) 2.21(2) 3.132(8) 174(6) .
