# Electronic Supplementary Material (ESI) for Dalton Transactions
# This journal is © The Royal Society of Chemistry 2013


#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication 
#  deposited with the CCDC, and may include chemical, crystal,   
#  experimental, refinement, atomic coordinates, 
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted. 
# 
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#  fide research purposes only. It may contain copyright material 
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data_mo_20120413a_0m
_database_code_depnum_ccdc_archive 'CCDC 888697'
#TrackingRef 'CCDC 888697.cif'
_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C77 H69 Eu3 N4 O22'
_chemical_formula_weight         1858.24
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c
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'
_cell_length_a                   13.0943(8)
_cell_length_b                   26.7035(16)
_cell_length_c                   13.1320(9)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.8720(10)
_cell_angle_gamma                90.00
_cell_volume                     4131.6(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    291(2)
_cell_measurement_reflns_used    2013
_cell_measurement_theta_min      2.4
_cell_measurement_theta_max      23.5
_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.13
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.494
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1848
_exptl_absorpt_coefficient_mu    2.320
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7223
_exptl_absorpt_correction_T_max  0.7525
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_special_details           
;
?
;
_diffrn_ambient_temperature      291(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker Smart Apex CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            33385
_diffrn_reflns_av_R_equivalents  0.0571
_diffrn_reflns_av_unetI/netI     0.0510
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         1.88
_diffrn_reflns_theta_max         26.00
_reflns_number_total             8070
_reflns_number_gt                5776
_reflns_threshold_expression     >2sigma(I)
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_cell_refinement       SMART
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_computing_structure_refinement  SHELXTL
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2008)'
_computing_publication_material  SHELXTL
_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0740P)^2^+23.4389P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8070
_refine_ls_number_parameters     523
_refine_ls_number_restraints     53
_refine_ls_R_factor_all          0.0805
_refine_ls_R_factor_gt           0.0527
_refine_ls_wR_factor_ref         0.1621
_refine_ls_wR_factor_gt          0.1386
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_restrained_S_all      1.057
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
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 0.17896(3) 0.504556(11) 0.58141(3) 0.02853(13) Uani 1 1 d . . .
Eu2 Eu 0.54888(8) 0.50655(3) 0.99621(7) 0.0401(2) Uani 0.50 1 d P . .
C1 C 0.0226(8) 0.5776(3) 0.3881(7) 0.0424(19) Uani 1 1 d . . .
C2 C -0.0120(7) 0.6276(3) 0.3349(7) 0.0389(18) Uani 1 1 d . . .
C3 C -0.1156(7) 0.6483(3) 0.3202(8) 0.045(2) Uani 1 1 d . . .
H3 H -0.1652 0.6294 0.3381 0.054 Uiso 1 1 calc R . .
C4 C -0.1453(7) 0.6963(3) 0.2795(8) 0.045(2) Uani 1 1 d . . .
H4 H -0.2147 0.7096 0.2695 0.054 Uiso 1 1 calc R . .
C5 C 0.0608(6) 0.6560(3) 0.3062(7) 0.0393(18) Uani 1 1 d . . .
H5 H 0.1303 0.6427 0.3166 0.047 Uiso 1 1 calc R . .
C6 C 0.0305(6) 0.7037(3) 0.2623(7) 0.0361(17) Uani 1 1 d . . .
C7 C -0.0717(6) 0.7245(2) 0.2537(7) 0.0353(17) Uani 1 1 d . . .
C8 C -0.0767(6) 0.7765(2) 0.2153(6) 0.0337(16) Uani 1 1 d . . .
C9 C 0.0943(6) 0.7401(2) 0.2226(7) 0.0377(18) Uani 1 1 d . . .
C10 C 0.0979(9) 0.7219(3) 0.1144(9) 0.060(3) Uani 1 1 d . . .
H10A H 0.1285 0.7470 0.0838 0.072 Uiso 1 1 d R . .
H10B H 0.0190 0.7149 0.0618 0.072 Uiso 1 1 d R . .
H10C H 0.1432 0.6920 0.1279 0.072 Uiso 1 1 d R . .
C11 C 0.2134(7) 0.7505(3) 0.3143(9) 0.056(3) Uani 1 1 d . . .
H11A H 0.2475 0.7765 0.2895 0.067 Uiso 1 1 d R . .
H11B H 0.2576 0.7204 0.3256 0.067 Uiso 1 1 d R . .
H11C H 0.2133 0.7601 0.3838 0.067 Uiso 1 1 d R . .
C12 C 0.0187(6) 0.7864(2) 0.1985(6) 0.0339(16) Uani 1 1 d . . .
C13 C 0.0363(6) 0.8339(2) 0.1667(6) 0.0351(17) Uani 1 1 d . . .
H13 H 0.1011 0.8407 0.1568 0.042 Uiso 1 1 calc R . .
C14 C -0.1568(7) 0.8135(3) 0.1986(7) 0.0387(18) Uani 1 1 d . . .
H14 H -0.2205 0.8072 0.2106 0.046 Uiso 1 1 calc R . .
C15 C -0.1392(7) 0.8603(3) 0.1634(7) 0.0402(18) Uani 1 1 d . . .
H15 H -0.1939 0.8850 0.1486 0.048 Uiso 1 1 calc R . .
C16 C -0.0430(6) 0.8713(2) 0.1495(6) 0.0350(17) Uani 1 1 d . . .
C17 C -0.0243(7) 0.9231(3) 0.1165(6) 0.0369(17) Uani 1 1 d . . .
C18 C 0.3780(6) 0.5814(2) 0.7944(7) 0.0353(17) Uani 1 1 d . . .
C19 C 0.3977(6) 0.6334(2) 0.7623(6) 0.0301(15) Uani 1 1 d . . .
C20 C 0.4795(6) 0.6636(2) 0.8419(6) 0.0343(16) Uani 1 1 d . . .
H20 H 0.5227 0.6517 0.9147 0.041 Uiso 1 1 calc R . .
C21 C 0.3336(6) 0.6505(2) 0.6530(6) 0.0339(16) Uani 1 1 d . . .
H21 H 0.2796 0.6298 0.5995 0.041 Uiso 1 1 calc R . .
C22 C 0.3503(7) 0.6986(3) 0.6237(6) 0.0362(17) Uani 1 1 d . . .
H22 H 0.3077 0.7105 0.5506 0.043 Uiso 1 1 calc R . .
C23 C 0.4313(6) 0.7290(2) 0.7048(6) 0.0320(16) Uani 1 1 d . . .
C24 C 0.4968(6) 0.7112(2) 0.8133(6) 0.0310(15) Uani 1 1 d . . .
C25 C 0.5830(6) 0.7504(2) 0.8861(6) 0.0320(16) Uani 1 1 d . . .
C26 C 0.7027(7) 0.7321(3) 0.9266(7) 0.046(2) Uani 1 1 d . . .
H26A H 0.7142 0.7209 0.8638 0.056 Uiso 1 1 d R . .
H26B H 0.7174 0.7052 0.9787 0.056 Uiso 1 1 d R . .
H26C H 0.7550 0.7591 0.9637 0.056 Uiso 1 1 d R . .
C27 C 0.5598(8) 0.7662(3) 0.9862(7) 0.047(2) Uani 1 1 d . . .
H27A H 0.6068 0.7946 1.0231 0.057 Uiso 1 1 d R . .
H27B H 0.5798 0.7390 1.0383 0.057 Uiso 1 1 d R . .
H27C H 0.4795 0.7745 0.9602 0.057 Uiso 1 1 d R . .
C28 C 0.4668(6) 0.7809(2) 0.6968(6) 0.0319(16) Uani 1 1 d . . .
C29 C 0.5544(6) 0.7936(2) 0.8010(6) 0.0286(15) Uani 1 1 d . . .
C30 C 0.6044(6) 0.8408(2) 0.8168(7) 0.0343(16) Uani 1 1 d . . .
H30 H 0.6634 0.8497 0.8859 0.041 Uiso 1 1 calc R . .
C31 C 0.4250(7) 0.8142(3) 0.6098(7) 0.0410(18) Uani 1 1 d . . .
H31 H 0.3639 0.8057 0.5419 0.049 Uiso 1 1 calc R . .
C32 C 0.4754(8) 0.8615(3) 0.6244(7) 0.044(2) Uani 1 1 d . . .
H32 H 0.4492 0.8844 0.5651 0.053 Uiso 1 1 calc R . .
C33 C 0.5640(6) 0.8741(2) 0.7267(7) 0.0347(17) Uani 1 1 d . . .
C34 C 0.6181(8) 0.9254(3) 0.7395(7) 0.0403(19) Uani 1 1 d . . .
C35 C 0.4142(10) 0.5317(6) 0.5553(15) 0.125(5) Uani 1 1 d DU . .
H35 H 0.4633 0.5237 0.6296 0.150 Uiso 1 1 calc R . .
C36 C 0.3695(16) 0.5669(8) 0.3780(14) 0.169(6) Uani 1 1 d DU . .
H36A H 0.3468 0.6006 0.3532 0.202 Uiso 1 1 d R . .
H36B H 0.3046 0.5480 0.3717 0.202 Uiso 1 1 d R . .
H36C H 0.4009 0.5518 0.3315 0.202 Uiso 1 1 d R . .
C37 C 0.5617(14) 0.5904(9) 0.5555(18) 0.198(7) Uani 1 1 d DU . .
H37A H 0.6136 0.5763 0.5295 0.238 Uiso 1 1 d R . .
H37B H 0.5894 0.5844 0.6352 0.238 Uiso 1 1 d R . .
H37C H 0.5552 0.6258 0.5413 0.238 Uiso 1 1 d R . .
C38 C 0.829(2) 0.4845(10) 1.096(2) 0.085(7) Uani 0.50 1 d PU . .
H38 H 0.8453 0.5138 1.1379 0.102 Uiso 0.50 1 calc PR . .
C39 C 1.034(3) 0.4815(14) 1.149(3) 0.147(13) Uani 0.50 1 d PU . .
H39A H 1.0347 0.5065 1.2015 0.176 Uiso 0.50 1 d PR . .
H39B H 1.0527 0.4968 1.0927 0.176 Uiso 0.50 1 d PR . .
H39C H 1.0884 0.4560 1.1879 0.176 Uiso 0.50 1 d PR . .
C40 C 0.885(3) 0.4070(11) 1.035(3) 0.112(10) Uani 0.50 1 d PU . .
H40A H 0.8828 0.3829 1.0880 0.135 Uiso 0.50 1 d PR . .
H40B H 0.9415 0.3974 1.0106 0.135 Uiso 0.50 1 d PR . .
H40C H 0.8119 0.4082 0.9702 0.135 Uiso 0.50 1 d PR . .
N1 N 0.4519(12) 0.5672(6) 0.4954(13) 0.146(5) Uani 1 1 d DU . .
N2 N 0.684(2) 0.5624(9) 0.896(3) 0.093(8) Uani 0.50 1 d P . .
N3 N 0.9173(15) 0.4537(11) 1.0926(16) 0.103(8) Uani 0.50 1 d P . .
O1 O -0.0528(6) 0.54769(18) 0.3871(5) 0.0546(17) Uani 1 1 d . . .
O2 O 0.1260(6) 0.5683(2) 0.4379(5) 0.0522(15) Uani 1 1 d . . .
O3 O -0.1103(5) 0.95153(19) 0.0747(5) 0.0444(13) Uani 1 1 d . . .
O4 O 0.0740(5) 0.93482(18) 0.1311(5) 0.0479(15) Uani 1 1 d . . .
O5 O 0.3123(5) 0.55324(18) 0.7174(5) 0.0453(14) Uani 1 1 d . . .
O6 O 0.4312(6) 0.56854(19) 0.8952(5) 0.0535(16) Uani 1 1 d . . .
O7 O 0.5760(8) 0.9534(2) 0.6546(6) 0.092(3) Uani 1 1 d U . .
O8 O 0.6951(5) 0.93683(18) 0.8305(5) 0.0482(15) Uani 1 1 d . . .
O9 O 0.3225(6) 0.5121(3) 0.5134(6) 0.0662(18) Uani 1 1 d DU . .
O10 O 0.6878(15) 0.5741(6) 0.9892(18) 0.092(5) Uani 0.50 1 d P . .
O11 O 0.6142(15) 0.5306(8) 0.8509(16) 0.091(5) Uani 0.50 1 d P . .
O12 O 0.7315(18) 0.5880(9) 0.857(2) 0.143(9) Uani 0.50 1 d P . .
O13 O 0.7329(14) 0.4702(6) 1.0403(15) 0.086(5) Uani 0.50 1 d P . .
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Eu1 0.0285(2) 0.01325(17) 0.0395(2) -0.00314(13) 0.01080(16) -0.00065(13)
Eu2 0.0558(5) 0.0206(3) 0.0416(5) 0.0008(3) 0.0192(4) 0.0014(3)
C1 0.060(6) 0.025(4) 0.049(5) 0.011(3) 0.030(5) 0.010(4)
C2 0.047(5) 0.027(4) 0.048(5) 0.009(3) 0.025(4) -0.001(3)
C3 0.045(5) 0.028(4) 0.069(6) 0.008(4) 0.032(4) -0.004(3)
C4 0.044(5) 0.028(4) 0.076(6) 0.014(4) 0.038(5) 0.004(3)
C5 0.034(4) 0.026(3) 0.059(5) 0.014(3) 0.022(4) 0.006(3)
C6 0.039(4) 0.026(3) 0.043(5) 0.007(3) 0.018(4) 0.000(3)
C7 0.037(4) 0.020(3) 0.048(5) 0.005(3) 0.019(4) -0.001(3)
C8 0.037(4) 0.022(3) 0.040(4) 0.006(3) 0.014(4) -0.004(3)
C9 0.039(4) 0.021(3) 0.055(5) 0.013(3) 0.022(4) 0.001(3)
C10 0.082(7) 0.039(5) 0.083(7) 0.008(4) 0.058(6) 0.006(4)
C11 0.035(4) 0.046(5) 0.081(7) 0.030(5) 0.018(5) 0.005(4)
C12 0.033(4) 0.026(3) 0.042(4) 0.007(3) 0.015(3) -0.001(3)
C13 0.038(4) 0.028(3) 0.044(5) 0.009(3) 0.022(4) -0.003(3)
C14 0.037(4) 0.030(4) 0.051(5) 0.008(3) 0.021(4) 0.004(3)
C15 0.043(5) 0.030(4) 0.048(5) 0.013(3) 0.020(4) 0.007(3)
C16 0.040(4) 0.020(3) 0.040(4) 0.011(3) 0.013(4) -0.003(3)
C17 0.052(5) 0.023(3) 0.035(4) 0.008(3) 0.017(4) 0.003(3)
C18 0.037(4) 0.020(3) 0.046(5) 0.000(3) 0.016(4) -0.003(3)
C19 0.041(4) 0.018(3) 0.030(4) -0.001(3) 0.015(3) -0.002(3)
C20 0.041(4) 0.024(3) 0.034(4) 0.001(3) 0.013(4) -0.004(3)
C21 0.039(4) 0.025(3) 0.034(4) -0.007(3) 0.013(3) -0.007(3)
C22 0.042(4) 0.028(3) 0.030(4) 0.002(3) 0.008(4) -0.005(3)
C23 0.039(4) 0.021(3) 0.037(4) 0.001(3) 0.017(3) -0.006(3)
C24 0.034(4) 0.022(3) 0.034(4) -0.003(3) 0.011(3) -0.007(3)
C25 0.037(4) 0.021(3) 0.032(4) -0.001(3) 0.009(3) -0.009(3)
C26 0.048(5) 0.031(4) 0.050(5) 0.003(3) 0.013(4) -0.005(3)
C27 0.065(6) 0.037(4) 0.039(5) -0.006(3) 0.021(4) -0.018(4)
C28 0.041(4) 0.019(3) 0.038(4) -0.003(3) 0.019(4) -0.007(3)
C29 0.032(4) 0.019(3) 0.035(4) 0.000(3) 0.014(3) -0.006(3)
C30 0.036(4) 0.022(3) 0.047(5) -0.003(3) 0.020(4) -0.006(3)
C31 0.047(5) 0.030(4) 0.036(5) -0.003(3) 0.009(4) -0.011(3)
C32 0.069(6) 0.021(3) 0.041(5) 0.002(3) 0.022(4) -0.006(4)
C33 0.044(4) 0.017(3) 0.045(5) -0.004(3) 0.022(4) -0.006(3)
C34 0.061(5) 0.017(3) 0.047(5) -0.003(3) 0.027(5) -0.007(3)
C35 0.101(7) 0.129(9) 0.152(8) -0.013(6) 0.061(6) -0.021(6)
C36 0.165(10) 0.179(11) 0.174(8) 0.019(8) 0.086(7) 0.030(8)
C37 0.164(9) 0.207(11) 0.239(11) -0.002(9) 0.101(7) -0.066(8)
C38 0.079(10) 0.095(11) 0.087(11) 0.007(8) 0.040(8) 0.003(8)
C39 0.141(16) 0.157(16) 0.145(16) 0.015(10) 0.065(11) 0.014(10)
C40 0.116(13) 0.093(12) 0.113(13) -0.014(9) 0.036(9) 0.015(9)
N1 0.127(9) 0.161(14) 0.186(9) -0.016(10) 0.101(7) -0.037(9)
N2 0.089(16) 0.078(14) 0.14(2) 0.070(16) 0.071(18) 0.020(12)
N3 0.045(11) 0.20(3) 0.060(13) 0.053(15) 0.018(10) 0.012(13)
O1 0.086(5) 0.020(2) 0.082(5) 0.004(3) 0.058(4) -0.006(3)
O2 0.067(4) 0.034(3) 0.059(4) 0.017(3) 0.031(3) 0.011(3)
O3 0.056(4) 0.032(3) 0.048(3) 0.018(2) 0.024(3) 0.008(2)
O4 0.045(3) 0.026(3) 0.073(4) 0.015(3) 0.026(3) -0.003(2)
O5 0.042(3) 0.024(2) 0.049(4) -0.004(2) 0.000(3) -0.010(2)
O6 0.080(4) 0.024(3) 0.043(4) 0.004(2) 0.014(3) -0.014(3)
O7 0.147(6) 0.039(3) 0.058(4) 0.004(3) 0.016(4) -0.042(4)
O8 0.045(3) 0.023(2) 0.063(4) -0.004(3) 0.010(3) -0.011(2)
O9 0.057(4) 0.077(5) 0.075(5) 0.001(4) 0.037(4) 0.009(3)
O10 0.079(12) 0.076(11) 0.110(15) 0.030(11) 0.030(12) -0.009(9)
O11 0.082(12) 0.099(13) 0.110(14) -0.008(11) 0.058(11) 0.016(10)
O12 0.115(16) 0.130(18) 0.23(3) 0.042(18) 0.123(19) 0.002(14)
O13 0.076(11) 0.081(11) 0.112(14) 0.011(10) 0.053(11) 0.018(9)
_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 O5 2.282(5) . ?
Eu1 O3 2.326(5) 2_545 ?
Eu1 O1 2.333(5) 3_566 ?
Eu1 O8 2.380(5) 2_646 ?
Eu1 O4 2.391(5) 4_576 ?
Eu1 O2 2.405(5) . ?
Eu1 O9 2.417(7) . ?
Eu2 O7 2.224(7) 4_576 ?
Eu2 O6 2.256(6) . ?
Eu2 O7 2.404(8) 2_646 ?
Eu2 O6 2.408(5) 3_667 ?
Eu2 O13 2.422(16) . ?
Eu2 O11 2.493(19) . ?
Eu2 O10 2.592(17) . ?
C1 O2 1.245(10) . ?
C1 O1 1.266(10) . ?
C1 C2 1.483(10) . ?
C2 C5 1.392(10) . ?
C2 C3 1.398(11) . ?
C3 C4 1.378(10) . ?
C3 H3 0.9300 . ?
C4 C7 1.377(10) . ?
C4 H4 0.9300 . ?
C5 C6 1.383(9) . ?
C5 H5 0.9300 . ?
C6 C7 1.408(10) . ?
C6 C9 1.516(9) . ?
C7 C8 1.469(9) . ?
C8 C12 1.385(10) . ?
C8 C14 1.388(10) . ?
C9 C11 1.523(11) . ?
C9 C10 1.523(12) . ?
C9 C12 1.527(9) . ?
C10 H10A 0.9555 . ?
C10 H10B 0.9782 . ?
C10 H10C 0.9625 . ?
C11 H11A 0.9568 . ?
C11 H11B 0.9620 . ?
C11 H11C 0.9489 . ?
C12 C13 1.387(9) . ?
C13 C16 1.385(10) . ?
C13 H13 0.9300 . ?
C14 C15 1.385(10) . ?
C14 H14 0.9300 . ?
C15 C16 1.381(10) . ?
C15 H15 0.9300 . ?
C16 C17 1.502(9) . ?
C17 O4 1.255(9) . ?
C17 O3 1.267(9) . ?
C18 O6 1.245(9) . ?
C18 O5 1.252(9) . ?
C18 C19 1.506(9) . ?
C19 C20 1.383(10) . ?
C19 C21 1.387(10) . ?
C20 C24 1.373(9) . ?
C20 H20 0.9300 . ?
C21 C22 1.386(9) . ?
C21 H21 0.9300 . ?
C22 C23 1.389(10) . ?
C22 H22 0.9300 . ?
C23 C24 1.386(10) . ?
C23 C28 1.480(8) . ?
C24 C25 1.530(9) . ?
C25 C26 1.500(11) . ?
C25 C27 1.532(11) . ?
C25 C29 1.534(9) . ?
C26 H26A 0.9494 . ?
C26 H26B 0.9535 . ?
C26 H26C 0.9653 . ?
C27 H27A 0.9632 . ?
C27 H27B 0.9545 . ?
C27 H27C 0.9783 . ?
C28 C31 1.361(10) . ?
C28 C29 1.391(10) . ?
C29 C30 1.392(9) . ?
C30 C33 1.389(10) . ?
C30 H30 0.9300 . ?
C31 C32 1.399(10) . ?
C31 H31 0.9300 . ?
C32 C33 1.380(11) . ?
C32 H32 0.9300 . ?
C33 C34 1.517(9) . ?
C34 O8 1.219(9) . ?
C34 O7 1.254(10) . ?
C35 O9 1.199(5) . ?
C35 N1 1.45(2) . ?
C35 H35 0.9300 . ?
C36 N1 1.445(5) . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 N1 1.443(5) . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C38 O13 1.21(3) . ?
C38 N3 1.43(3) . ?
C38 H38 0.9300 . ?
C39 N3 1.56(4) . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C40 N3 1.43(3) . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
N2 O12 1.18(2) . ?
N2 O11 1.20(3) . ?
N2 O10 1.24(3) . ?
O1 Eu1 2.333(5) 3_566 ?
O3 Eu1 2.326(5) 2 ?
O4 Eu1 2.391(5) 4_575 ?
O6 Eu2 2.408(5) 3_667 ?
O7 Eu2 2.224(7) 4_575 ?
O7 Eu2 2.404(8) 2_656 ?
O8 Eu1 2.380(5) 2_656 ?
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
O5 Eu1 O3 155.0(2) . 2_545 ?
O5 Eu1 O1 124.1(2) . 3_566 ?
O3 Eu1 O1 76.2(2) 2_545 3_566 ?
O5 Eu1 O8 85.48(19) . 2_646 ?
O3 Eu1 O8 83.4(2) 2_545 2_646 ?
O1 Eu1 O8 81.6(2) 3_566 2_646 ?
O5 Eu1 O4 74.6(2) . 4_576 ?
O3 Eu1 O4 127.3(2) 2_545 4_576 ?
O1 Eu1 O4 79.68(19) 3_566 4_576 ?
O8 Eu1 O4 137.8(2) 2_646 4_576 ?
O5 Eu1 O2 94.1(2) . . ?
O3 Eu1 O2 82.6(2) 2_545 . ?
O1 Eu1 O2 125.3(2) 3_566 . ?
O8 Eu1 O2 145.1(2) 2_646 . ?
O4 Eu1 O2 74.4(2) 4_576 . ?
O5 Eu1 O9 77.8(2) . . ?
O3 Eu1 O9 77.8(2) 2_545 . ?
O1 Eu1 O9 147.2(2) 3_566 . ?
O8 Eu1 O9 75.9(2) 2_646 . ?
O4 Eu1 O9 132.6(2) 4_576 . ?
O2 Eu1 O9 69.9(2) . . ?
O5 Eu1 C1 106.5(2) . . ?
O3 Eu1 C1 78.5(2) 2_545 . ?
O1 Eu1 C1 104.6(2) 3_566 . ?
O8 Eu1 C1 158.8(2) 2_646 . ?
O4 Eu1 C1 63.4(2) 4_576 . ?
O2 Eu1 C1 20.9(2) . . ?
O9 Eu1 C1 89.3(2) . . ?
O5 Eu1 Eu1 136.88(15) . 3_566 ?
O3 Eu1 Eu1 66.55(14) 2_545 3_566 ?
O1 Eu1 Eu1 48.72(16) 3_566 3_566 ?
O8 Eu1 Eu1 125.63(14) 2_646 3_566 ?
O4 Eu1 Eu1 62.26(13) 4_576 3_566 ?
O2 Eu1 Eu1 76.55(16) . 3_566 ?
O9 Eu1 Eu1 133.46(18) . 3_566 ?
C1 Eu1 Eu1 55.94(16) . 3_566 ?
Eu2 Eu2 O7 80.1(3) 3_667 4_576 ?
Eu2 Eu2 O6 79.07(17) 3_667 . ?
O7 Eu2 O6 89.2(2) 4_576 . ?
Eu2 Eu2 O7 65.7(2) 3_667 2_646 ?
O7 Eu2 O7 145.79(11) 4_576 2_646 ?
O6 Eu2 O7 84.5(2) . 2_646 ?
Eu2 Eu2 O6 66.91(17) 3_667 3_667 ?
O7 Eu2 O6 85.1(2) 4_576 3_667 ?
O6 Eu2 O6 145.98(9) . 3_667 ?
O7 Eu2 O6 81.7(2) 2_646 3_667 ?
Eu2 Eu2 O13 138.0(4) 3_667 . ?
O7 Eu2 O13 103.4(5) 4_576 . ?
O6 Eu2 O13 141.9(4) . . ?
O7 Eu2 O13 102.1(5) 2_646 . ?
O6 Eu2 O13 71.7(4) 3_667 . ?
Eu2 Eu2 O11 139.8(4) 3_667 . ?
O7 Eu2 O11 128.6(5) 4_576 . ?
O6 Eu2 O11 74.6(4) . . ?
O7 Eu2 O11 81.9(5) 2_646 . ?
O6 Eu2 O11 133.1(4) 3_667 . ?
O13 Eu2 O11 69.4(6) . . ?
Eu2 Eu2 O10 150.6(4) 3_667 . ?
O7 Eu2 O10 82.6(6) 4_576 . ?
O6 Eu2 O10 77.2(4) . . ?
O7 Eu2 O10 128.1(5) 2_646 . ?
O6 Eu2 O10 134.8(4) 3_667 . ?
O13 Eu2 O10 69.3(6) . . ?
O11 Eu2 O10 46.6(6) . . ?
Eu2 Eu2 N2 154.3(4) 3_667 . ?
O7 Eu2 N2 106.5(7) 4_576 . ?
O6 Eu2 N2 76.2(4) . . ?
O7 Eu2 N2 104.5(7) 2_646 . ?
O6 Eu2 N2 137.4(4) 3_667 . ?
O13 Eu2 N2 65.8(6) . . ?
O11 Eu2 N2 22.6(7) . . ?
O10 Eu2 N2 24.0(7) . . ?
O2 C1 O1 122.9(7) . . ?
O2 C1 C2 117.8(7) . . ?
O1 C1 C2 119.1(8) . . ?
O1 C1 Eu1 81.2(5) . . ?
C2 C1 Eu1 153.6(6) . . ?
C5 C2 C3 119.1(6) . . ?
C5 C2 C1 120.8(7) . . ?
C3 C2 C1 119.9(7) . . ?
C4 C3 C2 120.9(7) . . ?
C4 C3 H3 119.6 . . ?
C2 C3 H3 119.6 . . ?
C7 C4 C3 119.7(7) . . ?
C7 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
C6 C5 C2 120.6(7) . . ?
C6 C5 H5 119.7 . . ?
C2 C5 H5 119.7 . . ?
C5 C6 C7 119.1(7) . . ?
C5 C6 C9 129.4(7) . . ?
C7 C6 C9 111.5(6) . . ?
C4 C7 C6 120.5(6) . . ?
C4 C7 C8 132.2(7) . . ?
C6 C7 C8 107.4(6) . . ?
C12 C8 C14 120.8(6) . . ?
C12 C8 C7 109.1(6) . . ?
C14 C8 C7 130.2(7) . . ?
C6 C9 C11 111.9(6) . . ?
C6 C9 C10 111.2(7) . . ?
C11 C9 C10 111.0(7) . . ?
C6 C9 C12 100.7(6) . . ?
C11 C9 C12 111.4(6) . . ?
C10 C9 C12 110.3(7) . . ?
C9 C10 H10A 110.9 . . ?
C9 C10 H10B 105.4 . . ?
H10A C10 H10B 110.1 . . ?
C9 C10 H10C 111.1 . . ?
H10A C10 H10C 108.8 . . ?
H10B C10 H10C 110.5 . . ?
C9 C11 H11A 109.4 . . ?
C9 C11 H11B 108.1 . . ?
H11A C11 H11B 108.7 . . ?
C9 C11 H11C 112.2 . . ?
H11A C11 H11C 109.0 . . ?
H11B C11 H11C 109.3 . . ?
C8 C12 C13 120.1(7) . . ?
C8 C12 C9 111.2(6) . . ?
C13 C12 C9 128.7(7) . . ?
C16 C13 C12 119.8(7) . . ?
C16 C13 H13 120.1 . . ?
C12 C13 H13 120.1 . . ?
C15 C14 C8 118.0(7) . . ?
C15 C14 H14 121.0 . . ?
C8 C14 H14 121.0 . . ?
C16 C15 C14 122.1(7) . . ?
C16 C15 H15 119.0 . . ?
C14 C15 H15 119.0 . . ?
C15 C16 C13 119.1(6) . . ?
C15 C16 C17 120.5(7) . . ?
C13 C16 C17 120.4(7) . . ?
O4 C17 O3 125.1(6) . . ?
O4 C17 C16 118.1(7) . . ?
O3 C17 C16 116.8(7) . . ?
O6 C18 O5 124.2(7) . . ?
O6 C18 C19 117.8(6) . . ?
O5 C18 C19 117.9(7) . . ?
C20 C19 C21 120.6(6) . . ?
C20 C19 C18 119.8(6) . . ?
C21 C19 C18 119.6(6) . . ?
C24 C20 C19 120.0(7) . . ?
C24 C20 H20 120.0 . . ?
C19 C20 H20 120.0 . . ?
C22 C21 C19 119.7(7) . . ?
C22 C21 H21 120.1 . . ?
C19 C21 H21 120.1 . . ?
C21 C22 C23 119.2(7) . . ?
C21 C22 H22 120.4 . . ?
C23 C22 H22 120.4 . . ?
C24 C23 C22 120.8(6) . . ?
C24 C23 C28 108.6(6) . . ?
C22 C23 C28 130.5(7) . . ?
C20 C24 C23 119.7(6) . . ?
C20 C24 C25 128.9(7) . . ?
C23 C24 C25 111.4(6) . . ?
C26 C25 C24 111.8(6) . . ?
C26 C25 C27 110.7(7) . . ?
C24 C25 C27 110.8(6) . . ?
C26 C25 C29 112.9(6) . . ?
C24 C25 C29 100.4(6) . . ?
C27 C25 C29 109.9(6) . . ?
C25 C26 H26A 109.3 . . ?
C25 C26 H26B 110.7 . . ?
H26A C26 H26B 109.1 . . ?
C25 C26 H26C 109.8 . . ?
H26A C26 H26C 109.0 . . ?
H26B C26 H26C 109.0 . . ?
C25 C27 H27A 109.0 . . ?
C25 C27 H27B 108.0 . . ?
H27A C27 H27B 108.9 . . ?
C25 C27 H27C 110.4 . . ?
H27A C27 H27C 110.6 . . ?
H27B C27 H27C 109.9 . . ?
C31 C28 C29 121.5(6) . . ?
C31 C28 C23 130.4(7) . . ?
C29 C28 C23 108.0(6) . . ?
C28 C29 C30 120.0(6) . . ?
C28 C29 C25 111.5(5) . . ?
C30 C29 C25 128.5(7) . . ?
C33 C30 C29 118.3(7) . . ?
C33 C30 H30 120.8 . . ?
C29 C30 H30 120.8 . . ?
C28 C31 C32 118.9(7) . . ?
C28 C31 H31 120.5 . . ?
C32 C31 H31 120.5 . . ?
C33 C32 C31 120.0(7) . . ?
C33 C32 H32 120.0 . . ?
C31 C32 H32 120.0 . . ?
C32 C33 C30 121.2(6) . . ?
C32 C33 C34 118.8(7) . . ?
C30 C33 C34 119.9(7) . . ?
O8 C34 O7 125.2(7) . . ?
O8 C34 C33 118.8(7) . . ?
O7 C34 C33 116.0(7) . . ?
O9 C35 N1 123.1(16) . . ?
O9 C35 H35 118.5 . . ?
N1 C35 H35 118.5 . . ?
N1 C36 H36A 109.4 . . ?
N1 C36 H36B 108.4 . . ?
H36A C36 H36B 109.5 . . ?
N1 C36 H36C 110.6 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
N1 C37 H37A 109.1 . . ?
N1 C37 H37B 109.7 . . ?
H37A C37 H37B 109.5 . . ?
N1 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
O13 C38 N3 116(3) . . ?
O13 C38 H38 121.8 . . ?
N3 C38 H38 121.8 . . ?
N3 C39 H39A 111.8 . . ?
N3 C39 H39B 111.5 . . ?
H39A C39 H39B 109.5 . . ?
N3 C39 H39C 105.0 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
N3 C40 H40A 107.1 . . ?
N3 C40 H40B 108.3 . . ?
H40A C40 H40B 109.5 . . ?
N3 C40 H40C 113.0 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C37 N1 C36 133.4(18) . . ?
C37 N1 C35 118.6(15) . . ?
C36 N1 C35 107.6(13) . . ?
O12 N2 O11 129(3) . . ?
O12 N2 O10 119(3) . . ?
O11 N2 O10 111(2) . . ?
O12 N2 Eu2 174(2) . . ?
O11 N2 Eu2 53.1(12) . . ?
O10 N2 Eu2 58.2(11) . . ?
C40 N3 C38 117(2) . . ?
C40 N3 C39 132(3) . . ?
C38 N3 C39 110(3) . . ?
C1 O1 Eu1 170.1(6) . 3_566 ?
C1 O2 Eu1 115.4(5) . . ?
C17 O3 Eu1 132.4(5) . 2 ?
C17 O4 Eu1 143.1(5) . 4_575 ?
C18 O5 Eu1 174.4(6) . . ?
C18 O6 Eu2 138.5(5) . . ?
C18 O6 Eu2 136.4(5) . 3_667 ?
C34 O7 Eu2 161.4(8) . 4_575 ?
C34 O7 Eu2 164.1(8) . 2_656 ?
C34 O8 Eu1 140.2(5) . 2_656 ?
C35 O9 Eu1 130.6(10) . . ?
N2 O10 Eu2 97.8(15) . . ?
N2 O11 Eu2 104.3(17) . . ?
C38 O13 Eu2 133.3(18) . . ?
_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         3.383
_refine_diff_density_min         -1.440
_refine_diff_density_rms         0.165