# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers
# This journal is © The Partner Organisations 2014

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#                 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_syb20121027_1_0m
_audit_creation_date             2013-10-16
_audit_creation_method           
;
  Olex2 1.2
  (compiled Apr 23 2013 17:54:37, GUI svn.r4466)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C33 H31.98 N12 O25 Sm2'
_chemical_formula_sum            'C33 H31.98 N12 O25 Sm2'
_chemical_formula_weight         1297.41
_chemical_absolute_configuration ad
_chemical_melting_point          ?
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'
Sm Sm -0.1638 3.4418 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      trigonal
_space_group_IT_number           146
_space_group_name_H-M_alt        'R 3'
_space_group_name_Hall           'R 3'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-y, x-y, z'
3 '-x+y, -x, z'
4 'x+2/3, y+1/3, z+1/3'
5 '-y+2/3, x-y+1/3, z+1/3'
6 '-x+y+2/3, -x+1/3, z+1/3'
7 'x+1/3, y+2/3, z+2/3'
8 '-y+1/3, x-y+2/3, z+2/3'
9 '-x+y+1/3, -x+2/3, z+2/3'

_cell_length_a                   14.3524(7)
_cell_length_b                   14.3524(7)
_cell_length_c                   19.1378(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     3414.1(4)
_cell_formula_units_Z            3
_cell_measurement_reflns_used    3450
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      22.67
_cell_measurement_theta_min      2.69
_exptl_absorpt_coefficient_mu    2.658
_exptl_absorpt_correction_T_max  0.767
_exptl_absorpt_correction_T_min  0.689
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0544 before and 0.0455 after correction.
The Ratio of minimum to maximum transmission is 0.9335.
The \l/2 correction factor is 0.0015.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.893
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       polyhedral
_exptl_crystal_F_000             1913.9
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0319
_diffrn_reflns_av_unetI/netI     0.0409
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            8084
_diffrn_reflns_theta_full        24.95
_diffrn_reflns_theta_max         24.95
_diffrn_reflns_theta_min         2.69
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         0
_reflns_number_gt                2527
_reflns_number_total             2668
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       ?
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'SAINT v7.60A (Bruker, 2009)'
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  
;
SHELX, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    
;
SHELX, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_refine_diff_density_max         0.266
_refine_diff_density_min         -0.361
_refine_diff_density_rms         0.055
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.014(10)
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.983
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     218
_refine_ls_number_reflns         2668
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0233
_refine_ls_R_factor_gt           0.0209
_refine_ls_restrained_S_all      0.982
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0383
_refine_ls_wR_factor_ref         0.0389
_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. 
;
_olex2_refinement_description    
;
1. Others
 Fixed Sof: H6A(0.33) H3(0.33)
 Fixed U13: Sm2(0) Sm1(0) O6(0)
 Fixed U23: Sm2(0) Sm1(0) O6(0)
 Fixed Uiso: H2(0.039) H11(0.038) H14(0.038) H23(0.042) H25A(0.043)
 H25B(0.043) H9(0.044) H15(0.048) H21(0.048) H1(0.049) H6A(0.098) H3(0.098)
 Fixed X: Sm2(0.3333) Sm1(0.3333) H2(0.3143) H11(-0.0051) H14(0.0969)
 H23(0.2043) H25A(-0.0448) H25B(0.0094) H9(0.1002) H15(0.0647) H21(0.1808)
 H1(0.143) O6(0.3333) H6A(0.3288) H3(0.3935)
 Fixed Y: Sm2(0.6667) Sm1(0.6667) H2(0.4382) H11(0.4388) H14(0.5184)
 H23(0.3576) H25A(0.338) H25B(0.2669) H9(0.2831) H15(0.5277) H21(0.3668)
 H1(0.6162) O6(0.6667) H6A(0.7223) H3(0.6712)
 Fixed Z: H2(0.1302) H11(0.1069) H14(0.2021) H23(0.0382) H25A(0.0082)
 H25B(0.0002) H9(-0.0992) H15(-0.0431) H21(-0.2016) H1(-0.144) H6A(0.4697)
 H3(0.4697)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
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
Sm2 Sm 0.3333 0.6667 0.321231(13) 0.02313(12) Uani 1 3 d S . .
Sm1 Sm 0.3333 0.6667 -0.321181(12) 0.02529(12) Uani 1 3 d S . .
O1 O 0.2781(3) 0.5320(3) 0.23361(17) 0.0399(9) Uani 1 1 d . . .
C2 C 0.2500(4) 0.4388(4) 0.1266(3) 0.0326(14) Uani 1 1 d . . .
H2 H 0.3143 0.4382 0.1302 0.039 Uiso 1 1 calc R . .
N7 N 0.0913(2) 0.3935(2) 0.06343(16) 0.0292(8) Uani 1 1 d . . .
C11 C 0.0597(3) 0.4397(3) 0.1125(2) 0.0321(9) Uani 1 1 d . . .
H11 H -0.0051 0.4388 0.1069 0.038 Uiso 1 1 calc R . .
C14 C 0.1204(3) 0.4870(3) 0.1692(2) 0.0320(9) Uani 1 1 d . . .
H14 H 0.0969 0.5184 0.2021 0.038 Uiso 1 1 calc R . .
C18 C 0.2207(3) 0.4898(3) 0.1799(2) 0.0309(9) Uani 1 1 d . . .
C23 C 0.1850(4) 0.3920(3) 0.0716(2) 0.0351(10) Uani 1 1 d . . .
H23 H 0.2043 0.3576 0.0382 0.042 Uiso 1 1 calc R . .
C25 C 0.0235(3) 0.3403(3) 0.0029(2) 0.0359(10) Uani 1 1 d . . .
H25A H -0.0448 0.3380 0.0082 0.043 Uiso 1 1 calc R . .
H25B H 0.0094 0.2669 0.0002 0.043 Uiso 1 1 calc R . .
N1 N 0.0754(2) 0.3972(2) -0.06156(16) 0.0293(7) Uani 1 1 d . . .
O5 O 0.1329(2) 0.5778(2) 0.35113(17) 0.0445(8) Uani 1 1 d . . .
N8 N 0.5216(3) 0.8169(3) -0.4064(2) 0.0411(9) Uani 1 1 d . . .
C9 C 0.1094(3) 0.3507(3) -0.1088(2) 0.0366(10) Uani 1 1 d . . .
H9 H 0.1002 0.2831 -0.0992 0.044 Uiso 1 1 calc R . .
N13 N 0.1325(3) 0.6629(3) 0.36862(19) 0.0423(9) Uani 1 1 d . . .
C15 C 0.0882(4) 0.4957(4) -0.0755(3) 0.0400(11) Uani 1 1 d . . .
H15 H 0.0647 0.5277 -0.0431 0.048 Uiso 1 1 calc R . .
O19 O 0.0494(3) 0.6627(3) 0.3815(2) 0.0872(13) Uani 1 1 d . . .
C21 C 0.1569(3) 0.4000(3) -0.1704(2) 0.0398(10) Uani 1 1 d . . .
H21 H 0.1808 0.3668 -0.2016 0.048 Uiso 1 1 calc R . .
O26 O 0.5915(3) 0.8806(3) -0.4460(2) 0.0815(13) Uani 1 1 d . . .
O2 O 0.4761(3) 0.7173(3) -0.41573(16) 0.0514(8) Uani 1 1 d . . .
O3 O 0.2219(3) 0.7474(2) 0.37135(16) 0.0453(8) Uani 1 1 d . . .
O4 O 0.4892(2) 0.8496(2) -0.35571(15) 0.0436(8) Uani 1 1 d . . .
C8 C 0.1693(3) 0.5003(4) -0.1860(2) 0.0385(11) Uani 1 1 d . . .
C1 C 0.1343(4) 0.5484(5) -0.1357(3) 0.0411(15) Uani 1 1 d . . .
H1 H 0.1430 0.6162 -0.1440 0.049 Uiso 1 1 calc R . .
O6 O 0.3333 0.6667 0.4525(3) 0.0652(17) Uani 1 3 d S . .
H6A H 0.3288 0.7223 0.4697 0.098 Uiso 0.33 1 d PR . .
H6B H 0.3935 0.6712 0.4697 0.098 Uiso 0.33 1 d PR . .
O7 O 0.2082(3) 0.5471(3) -0.24475(18) 0.0534(11) Uani 1 1 d . . .

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
Sm2 0.02591(17) 0.02591(17) 0.0176(3) 0.000 0.000 0.01295(9)
Sm1 0.02907(18) 0.02907(18) 0.0177(3) 0.000 0.000 0.01454(9)
O1 0.047(2) 0.0419(19) 0.0327(18) -0.0136(15) -0.0159(17) 0.0242(18)
C2 0.028(3) 0.040(3) 0.029(3) -0.010(2) -0.002(2) 0.017(2)
N7 0.0285(18) 0.0299(18) 0.0193(17) 0.0036(14) -0.0014(14) 0.0072(15)
C11 0.030(2) 0.034(2) 0.031(2) 0.0026(19) 0.0009(18) 0.015(2)
C14 0.042(2) 0.032(2) 0.026(2) -0.0003(18) 0.0028(19) 0.021(2)
C18 0.036(2) 0.025(2) 0.027(2) -0.0012(18) -0.007(2) 0.0117(19)
C23 0.031(3) 0.036(3) 0.030(2) -0.0068(19) 0.003(2) 0.011(2)
C25 0.032(2) 0.033(2) 0.025(2) 0.0003(18) -0.0058(18) 0.003(2)
N1 0.0316(19) 0.0267(18) 0.0213(17) 0.0024(14) -0.0037(14) 0.0085(15)
O5 0.0394(18) 0.0349(18) 0.057(2) 0.0021(15) 0.0083(16) 0.0167(15)
N8 0.029(2) 0.048(3) 0.047(2) 0.013(2) 0.0119(18) 0.020(2)
C9 0.042(3) 0.033(2) 0.036(3) -0.001(2) -0.007(2) 0.020(2)
N13 0.037(2) 0.057(3) 0.036(2) 0.0018(18) 0.0056(18) 0.026(2)
C15 0.042(3) 0.038(3) 0.034(3) -0.001(2) -0.004(2) 0.016(2)
O19 0.048(2) 0.109(4) 0.119(4) -0.028(3) 0.002(2) 0.050(2)
C21 0.046(3) 0.043(3) 0.032(2) 0.005(2) 0.004(2) 0.023(2)
O26 0.072(3) 0.074(3) 0.090(3) 0.034(2) 0.055(2) 0.030(2)
O2 0.062(2) 0.045(2) 0.050(2) 0.0026(16) 0.0207(17) 0.0292(18)
O3 0.042(2) 0.0368(18) 0.054(2) -0.0052(15) 0.0089(16) 0.0177(16)
O4 0.0418(19) 0.0404(18) 0.0404(19) -0.0058(14) 0.0064(15) 0.0143(16)
C8 0.029(2) 0.047(3) 0.029(2) 0.006(2) -0.0026(19) 0.011(2)
C1 0.045(3) 0.030(3) 0.037(3) 0.014(3) 0.007(3) 0.011(3)
O6 0.083(3) 0.083(3) 0.029(3) 0.000 0.000 0.0416(14)
O7 0.050(2) 0.065(3) 0.036(2) 0.0235(19) 0.0139(17) 0.022(2)

_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
Sm2 O1 2.376(3) 3_565 ?
Sm2 O1 2.376(3) 2_665 ?
Sm2 O1 2.376(3) . ?
Sm2 O5 2.562(3) . ?
Sm2 O5 2.562(3) 2_665 ?
Sm2 O5 2.562(3) 3_565 ?
Sm2 N13 2.996(4) 3_565 ?
Sm2 N13 2.996(4) . ?
Sm2 O3 2.584(3) . ?
Sm2 O3 2.584(3) 3_565 ?
Sm2 O3 2.584(3) 2_665 ?
Sm2 O6 2.513(5) . ?
Sm1 N8 2.964(4) 3_565 ?
Sm1 N8 2.964(4) . ?
Sm1 N8 2.964(4) 2_665 ?
Sm1 O2 2.552(3) . ?
Sm1 O2 2.552(3) 3_565 ?
Sm1 O2 2.552(3) 2_665 ?
Sm1 O4 2.542(3) 3_565 ?
Sm1 O4 2.542(3) . ?
Sm1 O4 2.542(3) 2_665 ?
Sm1 O7 2.287(3) 2_665 ?
Sm1 O7 2.287(3) . ?
Sm1 O7 2.287(3) 3_565 ?
O1 C18 1.266(5) . ?
C2 C18 1.435(6) . ?
C2 C23 1.343(6) . ?
N7 C11 1.351(5) . ?
N7 C23 1.365(5) . ?
N7 C25 1.459(5) . ?
C11 C14 1.344(5) . ?
C14 C18 1.434(5) . ?
C25 N1 1.461(5) . ?
N1 C9 1.351(5) . ?
N1 C15 1.359(5) . ?
O5 N13 1.269(4) . ?
N8 O26 1.224(4) . ?
N8 O2 1.253(4) . ?
N8 O4 1.263(4) . ?
C9 C21 1.369(5) . ?
N13 O19 1.217(4) . ?
N13 O3 1.251(5) . ?
C15 C1 1.355(6) . ?
C21 C8 1.390(6) . ?
C8 C1 1.416(7) . ?
C8 O7 1.285(5) . ?

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
O1 Sm2 O1 75.68(13) 3_565 2_665 ?
O1 Sm2 O1 75.68(13) 3_565 . ?
O1 Sm2 O1 75.68(13) 2_665 . ?
O1 Sm2 O5 146.96(11) 3_565 2_665 ?
O1 Sm2 O5 73.56(11) 3_565 . ?
O1 Sm2 O5 85.28(11) . . ?
O1 Sm2 O5 146.96(11) 2_665 . ?
O1 Sm2 O5 85.28(11) 2_665 2_665 ?
O1 Sm2 O5 73.56(11) 2_665 3_565 ?
O1 Sm2 O5 146.96(11) . 3_565 ?
O1 Sm2 O5 85.28(11) 3_565 3_565 ?
O1 Sm2 O5 73.56(11) . 2_665 ?
O1 Sm2 N13 105.79(11) . . ?
O1 Sm2 N13 140.08(11) 2_665 . ?
O1 Sm2 N13 66.54(11) 3_565 . ?
O1 Sm2 N13 105.79(11) 3_565 3_565 ?
O1 Sm2 N13 66.54(11) 2_665 3_565 ?
O1 Sm2 N13 140.08(11) . 3_565 ?
O1 Sm2 O3 125.76(11) . 3_565 ?
O1 Sm2 O3 66.69(11) 3_565 . ?
O1 Sm2 O3 126.68(10) . . ?
O1 Sm2 O3 125.76(11) 2_665 . ?
O1 Sm2 O3 126.68(10) 3_565 3_565 ?
O1 Sm2 O3 126.68(10) 2_665 2_665 ?
O1 Sm2 O3 125.76(11) 3_565 2_665 ?
O1 Sm2 O3 66.69(11) . 2_665 ?
O1 Sm2 O3 66.69(11) 2_665 3_565 ?
O1 Sm2 O6 134.90(9) . . ?
O1 Sm2 O6 134.90(9) 2_665 . ?
O1 Sm2 O6 134.90(9) 3_565 . ?
O5 Sm2 O5 115.16(5) . 3_565 ?
O5 Sm2 O5 115.16(5) 3_565 2_665 ?
O5 Sm2 O5 115.16(5) . 2_665 ?
O5 Sm2 N13 134.13(9) . 3_565 ?
O5 Sm2 N13 24.84(9) 3_565 3_565 ?
O5 Sm2 N13 134.13(9) 2_665 . ?
O5 Sm2 N13 90.48(9) 3_565 . ?
O5 Sm2 N13 24.84(9) . . ?
O5 Sm2 N13 90.48(9) 2_665 3_565 ?
O5 Sm2 O3 65.98(10) . 2_665 ?
O5 Sm2 O3 144.20(10) 3_565 2_665 ?
O5 Sm2 O3 144.20(10) 2_665 . ?
O5 Sm2 O3 49.26(10) 2_665 2_665 ?
O5 Sm2 O3 49.26(10) . . ?
O5 Sm2 O3 49.26(10) 3_565 3_565 ?
O5 Sm2 O3 144.20(10) . 3_565 ?
O5 Sm2 O3 65.98(10) 2_665 3_565 ?
O5 Sm2 O3 65.98(10) 3_565 . ?
N13 Sm2 N13 111.26(6) . 3_565 ?
O3 Sm2 N13 128.22(10) 2_665 3_565 ?
O3 Sm2 N13 24.51(10) 3_565 3_565 ?
O3 Sm2 N13 87.38(10) . 3_565 ?
O3 Sm2 N13 24.51(10) . . ?
O3 Sm2 N13 128.22(10) 3_565 . ?
O3 Sm2 N13 87.38(10) 2_665 . ?
O3 Sm2 O3 107.06(8) . 3_565 ?
O3 Sm2 O3 107.06(8) . 2_665 ?
O3 Sm2 O3 107.06(8) 3_565 2_665 ?
O6 Sm2 O5 77.09(7) . 2_665 ?
O6 Sm2 O5 77.09(7) . . ?
O6 Sm2 O5 77.09(7) . 3_565 ?
O6 Sm2 N13 72.38(7) . 3_565 ?
O6 Sm2 N13 72.38(7) . . ?
O6 Sm2 O3 68.21(7) . 3_565 ?
O6 Sm2 O3 68.21(7) . . ?
O6 Sm2 O3 68.21(7) . 2_665 ?
N8 Sm1 N8 92.62(10) . 3_565 ?
N8 Sm1 N8 92.62(10) 2_665 3_565 ?
N8 Sm1 N8 92.62(10) 2_665 . ?
O2 Sm1 N8 96.42(11) . 2_665 ?
O2 Sm1 N8 96.42(11) 2_665 3_565 ?
O2 Sm1 N8 67.97(9) . 3_565 ?
O2 Sm1 N8 24.83(9) 3_565 3_565 ?
O2 Sm1 N8 67.97(9) 3_565 2_665 ?
O2 Sm1 N8 24.83(9) . . ?
O2 Sm1 N8 96.42(11) 3_565 . ?
O2 Sm1 N8 67.97(9) 2_665 . ?
O2 Sm1 N8 24.83(9) 2_665 2_665 ?
O2 Sm1 O2 75.26(12) 2_665 3_565 ?
O2 Sm1 O2 75.27(12) 2_665 . ?
O2 Sm1 O2 75.27(12) 3_565 . ?
O4 Sm1 N8 90.72(10) 3_565 . ?
O4 Sm1 N8 90.72(10) 2_665 3_565 ?
O4 Sm1 N8 25.05(9) 3_565 3_565 ?
O4 Sm1 N8 117.66(9) . 3_565 ?
O4 Sm1 N8 25.05(9) . . ?
O4 Sm1 N8 90.72(10) . 2_665 ?
O4 Sm1 N8 117.66(9) 3_565 2_665 ?
O4 Sm1 N8 25.05(9) 2_665 2_665 ?
O4 Sm1 N8 117.66(9) 2_665 . ?
O4 Sm1 O2 67.18(10) 2_665 3_565 ?
O4 Sm1 O2 49.82(9) 3_565 3_565 ?
O4 Sm1 O2 67.18(10) . 2_665 ?
O4 Sm1 O2 49.82(9) 2_665 2_665 ?
O4 Sm1 O2 118.69(10) . 3_565 ?
O4 Sm1 O2 49.82(9) . . ?
O4 Sm1 O2 118.69(10) 2_665 . ?
O4 Sm1 O2 67.18(10) 3_565 . ?
O4 Sm1 O2 118.69(10) 3_565 2_665 ?
O4 Sm1 O4 113.49(5) 2_665 . ?
O4 Sm1 O4 113.49(5) 2_665 3_565 ?
O4 Sm1 O4 113.49(5) . 3_565 ?
O7 Sm1 N8 96.88(13) 3_565 . ?
O7 Sm1 N8 170.50(11) 2_665 2_665 ?
O7 Sm1 N8 87.15(12) 3_565 2_665 ?
O7 Sm1 N8 96.88(13) . 2_665 ?
O7 Sm1 N8 170.50(11) . . ?
O7 Sm1 N8 87.15(12) . 3_565 ?
O7 Sm1 N8 170.50(11) 3_565 3_565 ?
O7 Sm1 N8 96.88(13) 2_665 3_565 ?
O7 Sm1 N8 87.15(12) 2_665 . ?
O7 Sm1 O2 87.35(12) 3_565 2_665 ?
O7 Sm1 O2 121.50(11) . 2_665 ?
O7 Sm1 O2 152.22(11) 3_565 3_565 ?
O7 Sm1 O2 152.22(11) 2_665 2_665 ?
O7 Sm1 O2 87.35(12) . 3_565 ?
O7 Sm1 O2 121.50(11) 3_565 . ?
O7 Sm1 O2 121.50(11) 2_665 3_565 ?
O7 Sm1 O2 152.22(11) . . ?
O7 Sm1 O2 87.35(12) 2_665 . ?
O7 Sm1 O4 71.83(11) 2_665 3_565 ?
O7 Sm1 O4 85.05(12) . 3_565 ?
O7 Sm1 O4 153.76(12) 3_565 3_565 ?
O7 Sm1 O4 85.05(12) 2_665 . ?
O7 Sm1 O4 153.76(12) . . ?
O7 Sm1 O4 71.83(11) . 2_665 ?
O7 Sm1 O4 85.05(12) 3_565 2_665 ?
O7 Sm1 O4 153.76(12) 2_665 2_665 ?
O7 Sm1 O4 71.83(11) 3_565 . ?
O7 Sm1 O7 83.46(14) . 2_665 ?
O7 Sm1 O7 83.46(14) 3_565 2_665 ?
O7 Sm1 O7 83.46(14) 3_565 . ?
C18 O1 Sm2 146.6(3) . . ?
C23 C2 C18 120.3(5) . . ?
C11 N7 C23 120.2(3) . . ?
C11 N7 C25 120.6(3) . . ?
C23 N7 C25 119.1(3) . . ?
C14 C11 N7 121.2(4) . . ?
C11 C14 C18 121.2(4) . . ?
O1 C18 C2 122.3(4) . . ?
O1 C18 C14 122.2(4) . . ?
C14 C18 C2 115.5(4) . . ?
C2 C23 N7 121.7(4) . . ?
N7 C25 N1 111.0(3) . . ?
C9 N1 C25 119.9(3) . . ?
C9 N1 C15 119.2(4) . . ?
C15 N1 C25 120.8(4) . . ?
N13 O5 Sm2 97.1(2) . . ?
O26 N8 Sm1 172.9(3) . . ?
O26 N8 O2 121.9(4) . . ?
O26 N8 O4 121.0(4) . . ?
O2 N8 Sm1 58.82(19) . . ?
O2 N8 O4 117.0(3) . . ?
O4 N8 Sm1 58.42(19) . . ?
N1 C9 C21 122.0(4) . . ?
O5 N13 Sm2 58.04(19) . . ?
O19 N13 Sm2 174.1(3) . . ?
O19 N13 O5 121.8(4) . . ?
O19 N13 O3 121.5(4) . . ?
O3 N13 Sm2 58.96(19) . . ?
O3 N13 O5 116.7(3) . . ?
C1 C15 N1 121.5(5) . . ?
C9 C21 C8 119.5(4) . . ?
N8 O2 Sm1 96.3(2) . . ?
N13 O3 Sm2 96.5(2) . . ?
N8 O4 Sm1 96.5(2) . . ?
C21 C8 C1 117.8(4) . . ?
O7 C8 C21 121.7(4) . . ?
O7 C8 C1 120.4(5) . . ?
C15 C1 C8 119.9(5) . . ?
C8 O7 Sm1 157.6(3) . . ?

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
Sm2 O1 C18 C2 150.9(5) . . . . ?
Sm2 O1 C18 C14 -31.0(8) . . . . ?
Sm2 O5 N13 O19 173.0(4) . . . . ?
Sm2 O5 N13 O3 -6.4(4) . . . . ?
O1 Sm2 O1 C18 -94.4(5) 2_665 . . . ?
O1 Sm2 O1 C18 -15.9(5) 3_565 . . . ?
O1 Sm2 O5 N13 -145.9(2) . . . . ?
O1 Sm2 O5 N13 -91.5(3) 2_665 . . . ?
O1 Sm2 O5 N13 -69.5(2) 3_565 . . . ?
O1 Sm2 N13 O5 35.5(3) . . . . ?
O1 Sm2 N13 O5 101.7(3) 3_565 . . . ?
O1 Sm2 N13 O5 121.9(2) 2_665 . . . ?
O1 Sm2 N13 O19 -55(3) . . . . ?
O1 Sm2 N13 O19 11(3) 3_565 . . . ?
O1 Sm2 N13 O19 31(3) 2_665 . . . ?
O1 Sm2 N13 O3 -64.8(3) 2_665 . . . ?
O1 Sm2 N13 O3 -85.0(2) 3_565 . . . ?
O1 Sm2 N13 O3 -151.2(2) . . . . ?
O1 Sm2 O3 N13 35.3(3) . . . . ?
O1 Sm2 O3 N13 84.3(2) 3_565 . . . ?
O1 Sm2 O3 N13 134.3(2) 2_665 . . . ?
N7 C11 C14 C18 -0.2(6) . . . . ?
N7 C25 N1 C9 111.8(4) . . . . ?
N7 C25 N1 C15 -69.6(5) . . . . ?
C11 N7 C23 C2 -2.3(6) . . . . ?
C11 N7 C25 N1 114.5(4) . . . . ?
C11 C14 C18 O1 -178.5(4) . . . . ?
C11 C14 C18 C2 -0.4(6) . . . . ?
C18 C2 C23 N7 1.7(8) . . . . ?
C23 C2 C18 O1 177.8(5) . . . . ?
C23 C2 C18 C14 -0.4(7) . . . . ?
C23 N7 C11 C14 1.5(5) . . . . ?
C23 N7 C25 N1 -68.4(5) . . . . ?
C25 N7 C11 C14 178.6(3) . . . . ?
C25 N7 C23 C2 -179.4(4) . . . . ?
C25 N1 C9 C21 179.0(4) . . . . ?
C25 N1 C15 C1 -178.7(4) . . . . ?
N1 C9 C21 C8 -1.2(6) . . . . ?
N1 C15 C1 C8 0.7(8) . . . . ?
O5 Sm2 O1 C18 176.3(6) 2_665 . . . ?
O5 Sm2 O1 C18 -72.6(6) 3_565 . . . ?
O5 Sm2 O1 C18 58.3(5) . . . . ?
O5 Sm2 O5 N13 7.0(3) 3_565 . . . ?
O5 Sm2 O5 N13 144.72(17) 2_665 . . . ?
O5 Sm2 N13 O5 -173.7(3) 3_565 . . . ?
O5 Sm2 N13 O5 -46.7(2) 2_665 . . . ?
O5 Sm2 N13 O19 -91(3) . . . . ?
O5 Sm2 N13 O19 96(3) 3_565 . . . ?
O5 Sm2 N13 O19 -137(3) 2_665 . . . ?
O5 Sm2 N13 O3 -0.3(2) 3_565 . . . ?
O5 Sm2 N13 O3 126.6(2) 2_665 . . . ?
O5 Sm2 N13 O3 173.3(4) . . . . ?
O5 Sm2 O3 N13 179.7(3) 3_565 . . . ?
O5 Sm2 O3 N13 -3.7(2) . . . . ?
O5 Sm2 O3 N13 -80.1(3) 2_665 . . . ?
O5 N13 O3 Sm2 6.3(4) . . . . ?
N8 Sm1 N8 O26 -1(3) 2_665 . . . ?
N8 Sm1 N8 O26 91(3) 3_565 . . . ?
N8 Sm1 N8 O2 -6.9(3) 3_565 . . . ?
N8 Sm1 N8 O2 -99.6(2) 2_665 . . . ?
N8 Sm1 N8 O4 178.8(2) 3_565 . . . ?
N8 Sm1 N8 O4 86.1(3) 2_665 . . . ?
N8 Sm1 O2 N8 172.6(3) 3_565 . . . ?
N8 Sm1 O2 N8 82.3(2) 2_665 . . . ?
N8 Sm1 O4 N8 -94.7(3) 2_665 . . . ?
N8 Sm1 O4 N8 -1.3(3) 3_565 . . . ?
N8 Sm1 O7 C8 -142.9(9) 2_665 . . . ?
N8 Sm1 O7 C8 124.9(9) 3_565 . . . ?
N8 Sm1 O7 C8 36.1(14) . . . . ?
C9 N1 C15 C1 -0.1(6) . . . . ?
C9 C21 C8 C1 1.7(7) . . . . ?
C9 C21 C8 O7 -176.2(4) . . . . ?
N13 Sm2 O1 C18 -113.5(5) 3_565 . . . ?
N13 Sm2 O1 C18 44.2(6) . . . . ?
N13 Sm2 O5 N13 26.8(3) 3_565 . . . ?
N13 Sm2 N13 O5 -159.70(19) 3_565 . . . ?
N13 Sm2 N13 O19 110(3) 3_565 . . . ?
N13 Sm2 N13 O3 13.6(3) 3_565 . . . ?
N13 Sm2 O3 N13 -167.3(3) 3_565 . . . ?
C15 N1 C9 C21 0.3(6) . . . . ?
O19 N13 O3 Sm2 -173.1(4) . . . . ?
C21 C8 C1 C15 -1.5(8) . . . . ?
C21 C8 O7 Sm1 -103.2(9) . . . . ?
O26 N8 O2 Sm1 -171.7(4) . . . . ?
O26 N8 O4 Sm1 171.7(4) . . . . ?
O2 Sm1 N8 O26 98(3) . . . . ?
O2 Sm1 N8 O26 67(3) 3_565 . . . ?
O2 Sm1 N8 O26 -5(3) 2_665 . . . ?
O2 Sm1 N8 O2 -102.8(3) 2_665 . . . ?
O2 Sm1 N8 O2 -31.5(2) 3_565 . . . ?
O2 Sm1 N8 O4 -174.3(4) . . . . ?
O2 Sm1 N8 O4 154.2(2) 3_565 . . . ?
O2 Sm1 N8 O4 83.0(2) 2_665 . . . ?
O2 Sm1 O2 N8 147.5(2) 3_565 . . . ?
O2 Sm1 O2 N8 69.2(3) 2_665 . . . ?
O2 Sm1 O4 N8 -29.5(3) 3_565 . . . ?
O2 Sm1 O4 N8 -86.5(2) 2_665 . . . ?
O2 Sm1 O4 N8 3.1(2) . . . . ?
O2 Sm1 O7 C8 149.7(9) 3_565 . . . ?
O2 Sm1 O7 C8 -139.4(8) 2_665 . . . ?
O2 Sm1 O7 C8 99.1(9) . . . . ?
O2 N8 O4 Sm1 -5.5(4) . . . . ?
O3 Sm2 O1 C18 29.8(6) . . . . ?
O3 Sm2 O1 C18 -141.0(5) 3_565 . . . ?
O3 Sm2 O1 C18 124.2(6) 2_665 . . . ?
O3 Sm2 O5 N13 147.5(3) 2_665 . . . ?
O3 Sm2 O5 N13 61.5(3) 3_565 . . . ?
O3 Sm2 O5 N13 3.6(2) . . . . ?
O3 Sm2 N13 O5 -29.4(2) 2_665 . . . ?
O3 Sm2 N13 O5 -139.1(2) 3_565 . . . ?
O3 Sm2 N13 O5 -173.3(4) . . . . ?
O3 Sm2 N13 O19 96(3) . . . . ?
O3 Sm2 N13 O19 130(3) 3_565 . . . ?
O3 Sm2 N13 O19 -120(3) 2_665 . . . ?
O3 Sm2 N13 O3 34.2(2) 3_565 . . . ?
O3 Sm2 N13 O3 143.9(3) 2_665 . . . ?
O3 Sm2 O3 N13 -152.49(19) 3_565 . . . ?
O3 Sm2 O3 N13 -38.0(3) 2_665 . . . ?
O4 Sm1 N8 O26 116(3) 3_565 . . . ?
O4 Sm1 N8 O26 -87(3) . . . . ?
O4 Sm1 N8 O26 -1(3) 2_665 . . . ?
O4 Sm1 N8 O2 174.3(4) . . . . ?
O4 Sm1 N8 O2 18.1(2) 3_565 . . . ?
O4 Sm1 N8 O2 -99.1(3) 2_665 . . . ?
O4 Sm1 N8 O4 86.64(18) 2_665 . . . ?
O4 Sm1 N8 O4 -156.2(2) 3_565 . . . ?
O4 Sm1 O2 N8 94.5(3) 2_665 . . . ?
O4 Sm1 O2 N8 -3.2(2) . . . . ?
O4 Sm1 O2 N8 -160.3(3) 3_565 . . . ?
O4 Sm1 O4 N8 26.1(3) 3_565 . . . ?
O4 Sm1 O4 N8 -105.40(19) 2_665 . . . ?
O4 Sm1 O7 C8 -143.5(9) 2_665 . . . ?
O4 Sm1 O7 C8 -37.0(10) . . . . ?
O4 Sm1 O7 C8 99.8(9) 3_565 . . . ?
O4 N8 O2 Sm1 5.5(4) . . . . ?
C1 C8 O7 Sm1 78.9(10) . . . . ?
O6 Sm2 O1 C18 124.8(5) . . . . ?
O6 Sm2 O5 N13 75.9(2) . . . . ?
O6 Sm2 N13 O5 -97.4(2) . . . . ?
O6 Sm2 N13 O19 172(3) . . . . ?
O6 Sm2 N13 O3 76.0(2) . . . . ?
O6 Sm2 O3 N13 -95.2(2) . . . . ?
O7 Sm1 N8 O26 -89(3) 3_565 . . . ?
O7 Sm1 N8 O26 180(100) . . . . ?
O7 Sm1 N8 O26 -172(3) 2_665 . . . ?
O7 Sm1 N8 O2 172.9(3) 3_565 . . . ?
O7 Sm1 N8 O2 81.4(8) . . . . ?
O7 Sm1 N8 O2 89.9(3) 2_665 . . . ?
O7 Sm1 N8 O4 -84.4(2) 2_665 . . . ?
O7 Sm1 N8 O4 -92.8(8) . . . . ?
O7 Sm1 N8 O4 -1.4(2) 3_565 . . . ?
O7 Sm1 O2 N8 -8.3(3) 3_565 . . . ?
O7 Sm1 O2 N8 -88.9(3) 2_665 . . . ?
O7 Sm1 O2 N8 -159.5(3) . . . . ?
O7 Sm1 O4 N8 93.9(2) 2_665 . . . ?
O7 Sm1 O4 N8 158.1(3) . . . . ?
O7 Sm1 O4 N8 178.6(3) 3_565 . . . ?
O7 Sm1 O7 C8 -56.5(8) 3_565 . . . ?
O7 Sm1 O7 C8 27.6(8) 2_665 . . . ?
O7 C8 C1 C15 176.5(5) . . . . ?

_database_code_depnum_ccdc_archive 'CCDC 942075'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  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.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_syb121208a_0m
_audit_creation_date             2013-10-12
_audit_creation_method           
;
Olex2 1.2
(compiled 2013.09.17 svn.r2790 for OlexSys, GUI svn.r4601)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C33 H31.98 Eu2 N12 O25'
_chemical_formula_sum            'C33 H31.98 Eu2 N12 O25'
_chemical_formula_weight         1300.63
_chemical_absolute_configuration ad
_chemical_melting_point          ?
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'

_space_group_crystal_system      trigonal
_space_group_IT_number           146
_space_group_name_H-M_alt        'R 3'
_space_group_name_Hall           'R 3'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-y, x-y, z'
3 '-x+y, -x, z'
4 'x+2/3, y+1/3, z+1/3'
5 '-y+2/3, x-y+1/3, z+1/3'
6 '-x+y+2/3, -x+1/3, z+1/3'
7 'x+1/3, y+2/3, z+2/3'
8 '-y+1/3, x-y+2/3, z+2/3'
9 '-x+y+1/3, -x+2/3, z+2/3'

_cell_length_a                   14.359(2)
_cell_length_b                   14.359(2)
_cell_length_c                   19.115(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     3413.1(14)
_cell_formula_units_Z            3
_cell_measurement_reflns_used    805
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      16.00
_cell_measurement_theta_min      2.69
_exptl_absorpt_coefficient_mu    2.834
_exptl_absorpt_correction_T_max  0.797
_exptl_absorpt_correction_T_min  0.672
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0576 before and 0.0476 after correction.
The Ratio of minimum to maximum transmission is 0.8486.
The \l/2 correction factor is 0.0015.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.898
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       polyhedral
_exptl_crystal_F_000             1919.9
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0670
_diffrn_reflns_av_unetI/netI     0.0895
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            5775
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.95
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         0
_reflns_number_gt                2014
_reflns_number_total             2690
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       ?
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'SAINT v7.60A (Bruker, 2009)'
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  
;
SHELX, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    
;
SHELX, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_refine_diff_density_max         1.091
_refine_diff_density_min         -1.098
_refine_diff_density_rms         0.190
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.10(5)
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     218
_refine_ls_number_reflns         2690
_refine_ls_number_restraints     78
_refine_ls_R_factor_all          0.0822
_refine_ls_R_factor_gt           0.0661
_refine_ls_restrained_S_all      1.116
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0185P)^2^+162.9368P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1345
_refine_ls_wR_factor_ref         0.1430
_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. 
;
_olex2_refinement_description    
;
1. Others
 Fixed Sof: H3A(0.33) H3(0.33)
 Fixed U13: Eu2(0) Eu1(0) O3(0)
 Fixed U23: Eu2(0) Eu1(0) O3(0)
 Fixed Uiso: H1(0.07) H2(0.099) H4(0.136) H5(0.098) H6A(0.061) H6B(0.061)
 H7(0.083) H8(0.115) H10(0.112) H11(0.07) H3A(0.116) H3(0.116)
 Fixed X: H1(0.503) H2(0.5225) H4(0.2302) H5(0.2159) H6A(0.2679) H6B(0.393)
 H7(0.4718) H8(0.4626) H10(0.1904) H11(0.1786) Eu2(0.3333) Eu1(0.3333)
 O3(0.3333) H3A(0.3874) H3(0.3407)
 Fixed Y: H1(0.9676) H2(0.895) H4(0.8213) H5(0.9029) H6A(0.9854) H6B(1.0578)
 H7(1.0307) H8(0.9423) H10(0.6973) H11(0.803) Eu2(0.6667) Eu1(0.6667)
 O3(0.6667) H3A(0.6593) H3(0.7281)
 Fixed Z: H1(0.4615) H2(0.3588) H4(0.2946) H5(0.3925) H6A(0.4919) H6B(0.5005)
 H7(0.5996) H8(0.7016) H10(0.6349) H11(0.5464) H3A(0.0304) H3(0.0304)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
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
C1 C 0.448(2) 0.9366(19) 0.4288(11) 0.059(7) Uani 1 1 d DU . .
H1 H 0.5030 0.9676 0.4615 0.070 Uiso 1 1 calc R . .
C2 C 0.457(2) 0.891(2) 0.3679(12) 0.083(10) Uani 1 1 d DU . .
H2 H 0.5225 0.8950 0.3588 0.099 Uiso 1 1 calc R . .
C3 C 0.376(2) 0.8414(17) 0.3196(10) 0.102(12) Uani 1 1 d DU . .
C4 C 0.284(2) 0.848(2) 0.3281(14) 0.113(12) Uani 1 1 d DU . .
H4 H 0.2302 0.8213 0.2946 0.136 Uiso 1 1 calc R . .
C5 C 0.276(2) 0.8956(15) 0.3871(11) 0.081(9) Uani 1 1 d DU . .
H5 H 0.2159 0.9029 0.3925 0.098 Uiso 1 1 calc R . .
C6 C 0.3344(19) 0.9841(14) 0.4975(10) 0.051(6) Uani 1 1 d . . .
H6A H 0.2679 0.9854 0.4919 0.061 Uiso 1 1 calc R . .
H6B H 0.3930 1.0578 0.5005 0.061 Uiso 1 1 calc R . .
C7 C 0.411(2) 0.965(2) 0.6096(11) 0.069(8) Uani 1 1 d . . .
H7 H 0.4718 1.0307 0.5996 0.083 Uiso 1 1 calc R . .
C8 C 0.407(2) 0.914(2) 0.6693(16) 0.096(9) Uani 1 1 d DU . .
H8 H 0.4626 0.9423 0.7016 0.115 Uiso 1 1 calc R . .
C9 C 0.318(2) 0.820(2) 0.6796(13) 0.093(8) Uani 1 1 d DU . .
C10 C 0.241(2) 0.770(2) 0.6307(15) 0.093(11) Uani 1 1 d DU . .
H10 H 0.1904 0.6973 0.6349 0.112 Uiso 1 1 calc R . .
C11 C 0.238(2) 0.8275(16) 0.5753(12) 0.058(6) Uani 1 1 d DU . .
H11 H 0.1786 0.8030 0.5464 0.070 Uiso 1 1 calc R . .
Eu2 Eu 0.3333 0.6667 0.17874(6) 0.0291(7) Uani 1 3 d S . .
Eu1 Eu 0.3333 0.6667 0.82123(6) 0.0248(6) Uani 1 3 d S . .
N1 N 0.3503(17) 0.9329(13) 0.4385(8) 0.058(5) Uani 1 1 d . . .
N2 N 0.3296(17) 0.9237(14) 0.5649(9) 0.066(6) Uani 1 1 d D . .
N3 N 0.5296(17) 0.8511(17) 0.1260(17) 0.111(11) Uani 1 1 d DU . .
N4 N 0.1445(17) 0.6346(16) 0.9038(14) 0.107(10) Uani 1 1 d DU . .
O1 O 0.3871(18) 0.7952(16) 0.2623(10) 0.096(8) Uani 1 1 d D . .
O2 O 0.315(2) 0.777(2) 0.7424(12) 0.107(8) Uani 1 1 d U . .
O3 O 0.3333 0.6667 0.0476(15) 0.077(8) Uani 1 3 d S . .
H3A H 0.3874 0.6593 0.0304 0.116 Uiso 0.33 1 d PR . .
H3B H 0.3407 0.7281 0.0304 0.116 Uiso 0.33 1 d PR . .
O4 O 0.4460(19) 0.8527(15) 0.1279(11) 0.091(8) Uani 1 1 d D . .
O5 O 0.5320(9) 0.7691(10) 0.1487(8) 0.053(4) Uani 1 1 d D . .
O6 O 0.6121(19) 0.9385(18) 0.1130(16) 0.149(9) Uani 1 1 d DU . .
O7 O 0.184(2) 0.709(3) 0.8586(10) 0.130(12) Uani 1 1 d D . .
O8 O 0.1899(13) 0.5810(19) 0.9155(9) 0.085(6) Uani 1 1 d DU . .
O9 O 0.067(2) 0.629(2) 0.9365(16) 0.174(11) Uani 1 1 d DU . .

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
C1 0.092(15) 0.073(13) 0.055(13) 0.007(10) 0.018(11) 0.074(12)
C2 0.130(19) 0.049(14) 0.037(13) 0.008(10) 0.028(13) 0.021(13)
C3 0.22(4) 0.021(11) 0.020(12) -0.002(9) 0.017(18) 0.03(2)
C4 0.17(3) 0.038(15) 0.066(19) -0.018(13) -0.01(2) 0.01(2)
C5 0.13(2) 0.025(11) 0.043(14) 0.005(9) 0.005(15) 0.009(13)
C6 0.093(16) 0.028(10) 0.026(12) -0.014(8) -0.018(10) 0.025(11)
C7 0.12(2) 0.12(2) 0.022(12) 0.011(12) -0.002(13) 0.102(19)
C8 0.121(17) 0.113(16) 0.091(17) 0.008(13) 0.000(13) 0.086(12)
C9 0.126(16) 0.110(15) 0.103(17) 0.024(12) 0.007(13) 0.104(12)
C10 0.114(18) 0.087(16) 0.11(2) 0.001(14) 0.025(13) 0.075(14)
C11 0.106(16) 0.040(11) 0.044(12) 0.014(9) 0.017(11) 0.048(11)
Eu2 0.0317(10) 0.0317(10) 0.0240(17) 0.000 0.000 0.0158(5)
Eu1 0.0284(9) 0.0284(9) 0.0176(14) 0.000 0.000 0.0142(5)
N1 0.110(16) 0.041(10) 0.026(10) -0.003(8) -0.004(10) 0.039(11)
N2 0.15(2) 0.066(12) 0.025(10) -0.003(9) 0.004(11) 0.085(14)
N3 0.070(16) 0.073(17) 0.16(3) 0.075(17) -0.031(17) 0.016(12)
N4 0.067(16) 0.064(15) 0.15(3) -0.040(16) 0.047(17) 0.000(11)
O1 0.16(2) 0.056(12) 0.056(13) -0.017(9) 0.036(14) 0.042(14)
O2 0.162(17) 0.124(15) 0.083(13) 0.069(11) 0.042(12) 0.107(13)
O3 0.082(12) 0.082(12) 0.07(2) 0.000 0.000 0.041(6)
O4 0.140(19) 0.037(10) 0.084(15) 0.009(9) 0.047(15) 0.034(12)
O5 0.031(7) 0.051(9) 0.069(11) 0.009(8) 0.013(7) 0.015(7)
O6 0.134(15) 0.115(14) 0.173(18) 0.066(13) 0.020(14) 0.044(11)
O7 0.18(3) 0.28(4) 0.048(13) 0.069(18) 0.044(15) 0.21(3)
O8 0.055(11) 0.16(2) 0.039(10) 0.007(11) 0.020(8) 0.054(12)
O9 0.130(15) 0.192(19) 0.21(2) -0.038(14) 0.086(14) 0.086(14)

_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
C1 H1 0.9300 . ?
C1 C2 1.372(18) . ?
C1 N1 1.38(3) . ?
C2 H2 0.9300 . ?
C2 C3 1.373(19) . ?
C3 C4 1.381(18) . ?
C3 O1 1.329(16) . ?
C4 H4 0.9300 . ?
C4 C5 1.352(17) . ?
C5 H5 0.9300 . ?
C5 N1 1.35(3) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C6 N1 1.42(2) . ?
C6 N2 1.54(2) . ?
C7 H7 0.9300 . ?
C7 C8 1.35(3) . ?
C7 N2 1.32(3) . ?
C8 H8 0.9300 . ?
C8 C9 1.327(18) . ?
C9 C10 1.349(18) . ?
C9 O2 1.34(3) . ?
C10 H10 0.9300 . ?
C10 C11 1.355(19) . ?
C11 H11 0.9300 . ?
C11 N2 1.361(17) . ?
Eu2 N3 2.92(2) 2_665 ?
Eu2 N3 2.92(2) . ?
Eu2 O1 2.265(17) 3_565 ?
Eu2 O1 2.265(17) . ?
Eu2 O1 2.265(17) 2_665 ?
Eu2 O3 2.51(3) . ?
Eu2 O4 2.525(19) 2_665 ?
Eu2 O4 2.525(19) 3_565 ?
Eu2 O4 2.525(19) . ?
Eu2 O5 2.537(12) 3_565 ?
Eu2 O5 2.537(12) 2_665 ?
Eu2 O5 2.537(12) . ?
Eu1 N4 2.967(19) 2_665 ?
Eu1 N4 2.967(19) 3_565 ?
Eu1 N4 2.967(19) . ?
Eu1 O2 2.291(18) . ?
Eu1 O2 2.291(18) 2_665 ?
Eu1 O2 2.291(18) 3_565 ?
Eu1 O7 2.598(19) 2_665 ?
Eu1 O7 2.60(2) 3_565 ?
Eu1 O7 2.598(19) . ?
Eu1 O8 2.544(15) 3_565 ?
Eu1 O8 2.544(15) . ?
Eu1 O8 2.544(15) 2_665 ?
N3 O4 1.213(17) . ?
N3 O5 1.271(16) . ?
N3 O6 1.247(17) . ?
N4 O7 1.264(18) . ?
N4 O8 1.252(17) . ?
N4 O9 1.240(17) . ?
O3 H3A 0.8971 . ?
O3 H3B 0.8970 . ?

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
C2 C1 H1 122.2 . . ?
C2 C1 N1 116(2) . . ?
N1 C1 H1 122.2 . . ?
C1 C2 H2 118.0 . . ?
C3 C2 C1 124(3) . . ?
C3 C2 H2 118.0 . . ?
C2 C3 C4 118(2) . . ?
O1 C3 C2 122(2) . . ?
O1 C3 C4 119.2(17) . . ?
C3 C4 H4 121.3 . . ?
C5 C4 C3 117(3) . . ?
C5 C4 H4 121.3 . . ?
C4 C5 H5 118.0 . . ?
N1 C5 C4 124(3) . . ?
N1 C5 H5 118.0 . . ?
H6A C6 H6B 108.1 . . ?
N1 C6 H6A 109.6 . . ?
N1 C6 H6B 109.6 . . ?
N1 C6 N2 110.2(14) . . ?
N2 C6 H6A 109.6 . . ?
N2 C6 H6B 109.6 . . ?
C8 C7 H7 119.5 . . ?
N2 C7 H7 119.5 . . ?
N2 C7 C8 121(3) . . ?
C7 C8 H8 121.9 . . ?
C9 C8 C7 116(2) . . ?
C9 C8 H8 121.9 . . ?
C8 C9 C10 123.4(19) . . ?
C8 C9 O2 113(3) . . ?
O2 C9 C10 123(3) . . ?
C9 C10 H10 120.5 . . ?
C9 C10 C11 119(2) . . ?
C11 C10 H10 120.5 . . ?
C10 C11 H11 122.3 . . ?
C10 C11 N2 115(2) . . ?
N2 C11 H11 122.3 . . ?
N3 Eu2 N3 108.7(7) 2_665 . ?
O1 Eu2 N3 149.6(9) 3_565 2_665 ?
O1 Eu2 N3 73.9(9) . . ?
O1 Eu2 N3 149.6(9) 2_665 . ?
O1 Eu2 N3 98.4(7) 3_565 . ?
O1 Eu2 N3 98.4(7) . 2_665 ?
O1 Eu2 N3 73.9(9) 2_665 2_665 ?
O1 Eu2 O1 75.7(9) . 2_665 ?
O1 Eu2 O1 75.7(9) . 3_565 ?
O1 Eu2 O1 75.7(9) 2_665 3_565 ?
O1 Eu2 O3 134.9(5) 3_565 . ?
O1 Eu2 O3 134.9(6) 2_665 . ?
O1 Eu2 O3 134.9(6) . . ?
O1 Eu2 O4 68.4(7) 3_565 3_565 ?
O1 Eu2 O4 135.4(7) 3_565 2_665 ?
O1 Eu2 O4 118.0(9) . 2_665 ?
O1 Eu2 O4 68.4(7) 2_665 2_665 ?
O1 Eu2 O4 135.4(7) . 3_565 ?
O1 Eu2 O4 135.4(7) 2_665 . ?
O1 Eu2 O4 118.0(9) 3_565 . ?
O1 Eu2 O4 68.4(7) . . ?
O1 Eu2 O4 118.0(9) 2_665 3_565 ?
O1 Eu2 O5 82.0(6) . . ?
O1 Eu2 O5 148.0(6) 2_665 . ?
O1 Eu2 O5 82.0(6) 3_565 3_565 ?
O1 Eu2 O5 76.7(7) 3_565 . ?
O1 Eu2 O5 76.7(7) 2_665 3_565 ?
O1 Eu2 O5 148.0(6) 3_565 2_665 ?
O1 Eu2 O5 148.0(6) . 3_565 ?
O1 Eu2 O5 76.7(7) . 2_665 ?
O1 Eu2 O5 82.0(6) 2_665 2_665 ?
O3 Eu2 N3 69.8(6) . 2_665 ?
O3 Eu2 N3 69.8(6) . . ?
O3 Eu2 O4 67.4(5) . 3_565 ?
O3 Eu2 O4 67.4(5) . 2_665 ?
O3 Eu2 O4 67.4(5) . . ?
O3 Eu2 O5 76.9(4) . . ?
O3 Eu2 O5 76.9(4) . 3_565 ?
O3 Eu2 O5 76.9(4) . 2_665 ?
O4 Eu2 N3 24.4(4) . . ?
O4 Eu2 N3 85.7(5) 3_565 . ?
O4 Eu2 N3 125.9(5) 3_565 2_665 ?
O4 Eu2 N3 85.7(5) . 2_665 ?
O4 Eu2 N3 125.9(5) 2_665 . ?
O4 Eu2 N3 24.4(4) 2_665 2_665 ?
O4 Eu2 O4 106.1(6) . 3_565 ?
O4 Eu2 O4 106.1(6) 2_665 3_565 ?
O4 Eu2 O4 106.1(6) 2_665 . ?
O4 Eu2 O5 50.2(6) 3_565 3_565 ?
O4 Eu2 O5 143.4(6) 3_565 2_665 ?
O4 Eu2 O5 143.4(6) 2_665 . ?
O4 Eu2 O5 50.2(6) . . ?
O4 Eu2 O5 64.9(6) . 2_665 ?
O4 Eu2 O5 64.9(6) 2_665 3_565 ?
O4 Eu2 O5 143.4(6) . 3_565 ?
O4 Eu2 O5 64.9(6) 3_565 . ?
O4 Eu2 O5 50.2(6) 2_665 2_665 ?
O5 Eu2 N3 132.7(7) 3_565 . ?
O5 Eu2 N3 25.8(4) . . ?
O5 Eu2 N3 89.3(4) 2_665 . ?
O5 Eu2 N3 132.7(7) . 2_665 ?
O5 Eu2 N3 25.8(4) 2_665 2_665 ?
O5 Eu2 N3 89.3(4) 3_565 2_665 ?
O5 Eu2 O5 115.0(3) . 3_565 ?
O5 Eu2 O5 115.0(3) 2_665 . ?
O5 Eu2 O5 115.0(3) 2_665 3_565 ?
N4 Eu1 N4 94.3(8) 3_565 2_665 ?
N4 Eu1 N4 94.3(8) . 3_565 ?
N4 Eu1 N4 94.3(8) . 2_665 ?
O2 Eu1 N4 170.9(9) 2_665 3_565 ?
O2 Eu1 N4 90.9(9) . 3_565 ?
O2 Eu1 N4 170.9(9) . 2_665 ?
O2 Eu1 N4 92.7(8) 3_565 3_565 ?
O2 Eu1 N4 92.7(8) 2_665 2_665 ?
O2 Eu1 N4 92.7(8) . . ?
O2 Eu1 N4 90.9(9) 3_565 2_665 ?
O2 Eu1 N4 170.9(9) 3_565 . ?
O2 Eu1 N4 90.9(9) 2_665 . ?
O2 Eu1 O2 81.4(10) . 2_665 ?
O2 Eu1 O2 81.4(10) . 3_565 ?
O2 Eu1 O2 81.4(10) 2_665 3_565 ?
O2 Eu1 O7 149.7(8) 2_665 3_565 ?
O2 Eu1 O7 68.2(8) 3_565 3_565 ?
O2 Eu1 O7 92.9(10) 3_565 2_665 ?
O2 Eu1 O7 92.9(10) . 3_565 ?
O2 Eu1 O7 68.2(7) 2_665 2_665 ?
O2 Eu1 O7 149.7(8) 3_565 . ?
O2 Eu1 O7 149.7(8) . 2_665 ?
O2 Eu1 O7 68.2(7) . . ?
O2 Eu1 O7 92.9(10) 2_665 . ?
O2 Eu1 O8 158.7(9) 2_665 3_565 ?
O2 Eu1 O8 117.1(8) 3_565 3_565 ?
O2 Eu1 O8 117.1(7) . . ?
O2 Eu1 O8 158.7(9) . 2_665 ?
O2 Eu1 O8 90.6(8) 2_665 . ?
O2 Eu1 O8 90.6(8) . 3_565 ?
O2 Eu1 O8 158.7(9) 3_565 . ?
O2 Eu1 O8 117.1(7) 2_665 2_665 ?
O2 Eu1 O8 90.6(8) 3_565 2_665 ?
O7 Eu1 N4 119.2(7) 3_565 . ?
O7 Eu1 N4 25.1(4) . . ?
O7 Eu1 N4 25.1(4) 2_665 2_665 ?
O7 Eu1 N4 88.7(7) 2_665 . ?
O7 Eu1 N4 88.7(7) 3_565 2_665 ?
O7 Eu1 N4 88.7(7) . 3_565 ?
O7 Eu1 N4 119.2(7) . 2_665 ?
O7 Eu1 N4 119.2(7) 2_665 3_565 ?
O7 Eu1 N4 25.1(4) 3_565 3_565 ?
O7 Eu1 O7 112.7(4) . 2_665 ?
O7 Eu1 O7 112.7(4) 3_565 2_665 ?
O7 Eu1 O7 112.7(4) . 3_565 ?
O8 Eu1 N4 24.8(4) 2_665 2_665 ?
O8 Eu1 N4 69.6(7) 2_665 3_565 ?
O8 Eu1 N4 69.6(7) . 2_665 ?
O8 Eu1 N4 97.2(6) 3_565 2_665 ?
O8 Eu1 N4 97.2(6) . 3_565 ?
O8 Eu1 N4 24.8(4) . . ?
O8 Eu1 N4 69.6(7) 3_565 . ?
O8 Eu1 N4 24.8(4) 3_565 3_565 ?
O8 Eu1 N4 97.2(6) 2_665 . ?
O8 Eu1 O7 49.9(6) . . ?
O8 Eu1 O7 118.0(6) 2_665 . ?
O8 Eu1 O7 118.0(6) 3_565 2_665 ?
O8 Eu1 O7 65.8(8) 3_565 . ?
O8 Eu1 O7 65.8(8) . 2_665 ?
O8 Eu1 O7 49.9(6) 3_565 3_565 ?
O8 Eu1 O7 49.9(6) 2_665 2_665 ?
O8 Eu1 O7 65.8(8) 2_665 3_565 ?
O8 Eu1 O7 118.0(6) . 3_565 ?
O8 Eu1 O8 75.3(6) 3_565 . ?
O8 Eu1 O8 75.3(6) 3_565 2_665 ?
O8 Eu1 O8 75.3(6) . 2_665 ?
C1 N1 C6 120.4(19) . . ?
C5 N1 C1 120(2) . . ?
C5 N1 C6 119(2) . . ?
C7 N2 C6 121(2) . . ?
C7 N2 C11 123(2) . . ?
C11 N2 C6 116.4(18) . . ?
O4 N3 Eu2 59.4(13) . . ?
O4 N3 O5 120(2) . . ?
O4 N3 O6 116(2) . . ?
O5 N3 Eu2 60.2(10) . . ?
O6 N3 Eu2 170(3) . . ?
O6 N3 O5 123(2) . . ?
O7 N4 Eu1 60.8(12) . . ?
O8 N4 Eu1 58.3(11) . . ?
O8 N4 O7 119(2) . . ?
O9 N4 Eu1 175(2) . . ?
O9 N4 O7 114(3) . . ?
O9 N4 O8 126(3) . . ?
C3 O1 Eu2 155.6(16) . . ?
C9 O2 Eu1 157(2) . . ?
Eu2 O3 H3A 111.6 . . ?
Eu2 O3 H3B 111.6 . . ?
H3A O3 H3B 107.3 . . ?
N3 O4 Eu2 96.2(15) . . ?
N3 O5 Eu2 94.1(12) . . ?
N4 O7 Eu1 94.0(13) . . ?
N4 O8 Eu1 96.9(13) . . ?

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
C1 C2 C3 C4 8(5) . . . . ?
C1 C2 C3 O1 -178(3) . . . . ?
C2 C1 N1 C5 -6(3) . . . . ?
C2 C1 N1 C6 -175(2) . . . . ?
C2 C3 C4 C5 -6(4) . . . . ?
C2 C3 O1 Eu2 140(4) . . . . ?
C3 C4 C5 N1 -2(4) . . . . ?
C4 C3 O1 Eu2 -46(6) . . . . ?
C4 C5 N1 C1 8(3) . . . . ?
C4 C5 N1 C6 178(2) . . . . ?
C7 C8 C9 C10 8(4) . . . . ?
C7 C8 C9 O2 -175(2) . . . . ?
C8 C7 N2 C6 179(2) . . . . ?
C8 C7 N2 C11 -1(3) . . . . ?
C8 C9 C10 C11 -17(5) . . . . ?
C8 C9 O2 Eu1 -99(6) . . . . ?
C9 C10 C11 N2 16(4) . . . . ?
C10 C9 O2 Eu1 79(6) . . . . ?
C10 C11 N2 C6 173(2) . . . . ?
C10 C11 N2 C7 -7(3) . . . . ?
N1 C1 C2 C3 -3(4) . . . . ?
N1 C6 N2 C7 107(2) . . . . ?
N1 C6 N2 C11 -73(2) . . . . ?
N2 C6 N1 C1 -70(2) . . . . ?
N2 C6 N1 C5 121(2) . . . . ?
N2 C7 C8 C9 1(4) . . . . ?
N3 Eu2 N3 O4 20(3) 2_665 . . . ?
N3 Eu2 N3 O5 -161.1(12) 2_665 . . . ?
N3 Eu2 N3 O6 86(10) 2_665 . . . ?
N3 Eu2 O1 C3 166(4) . . . . ?
N3 Eu2 O1 C3 59(4) 2_665 . . . ?
N3 Eu2 O4 N3 -161(3) 2_665 . . . ?
N3 Eu2 O5 N3 24.7(16) 2_665 . . . ?
N4 Eu1 N4 O7 172.4(19) 2_665 . . . ?
N4 Eu1 N4 O7 78(3) 3_565 . . . ?
N4 Eu1 N4 O8 -97.9(13) 3_565 . . . ?
N4 Eu1 N4 O8 -3(2) 2_665 . . . ?
N4 Eu1 N4 O9 64(30) 3_565 . . . ?
N4 Eu1 N4 O9 159(29) 2_665 . . . ?
N4 Eu1 O2 C9 -144(6) . . . . ?
N4 Eu1 O2 C9 121(6) 3_565 . . . ?
N4 Eu1 O2 C9 -4(10) 2_665 . . . ?
N4 Eu1 O7 N4 -9(2) 2_665 . . . ?
N4 Eu1 O7 N4 -103(3) 3_565 . . . ?
N4 Eu1 O8 N4 177(2) 2_665 . . . ?
N4 Eu1 O8 N4 84.6(14) 3_565 . . . ?
O1 C3 C4 C5 180(2) . . . . ?
O1 Eu2 N3 O4 -73(2) . . . . ?
O1 Eu2 N3 O4 -69(2) 2_665 . . . ?
O1 Eu2 N3 O4 -146(2) 3_565 . . . ?
O1 Eu2 N3 O5 105.3(18) . . . . ?
O1 Eu2 N3 O5 108.9(19) 2_665 . . . ?
O1 Eu2 N3 O5 32.9(18) 3_565 . . . ?
O1 Eu2 N3 O6 -80(9) 3_565 . . . ?
O1 Eu2 N3 O6 -4(10) 2_665 . . . ?
O1 Eu2 N3 O6 -7(9) . . . . ?
O1 Eu2 O1 C3 -91(4) 3_565 . . . ?
O1 Eu2 O1 C3 -12(4) 2_665 . . . ?
O1 Eu2 O4 N3 99(2) . . . . ?
O1 Eu2 O4 N3 138(2) 2_665 . . . ?
O1 Eu2 O4 N3 39(2) 3_565 . . . ?
O1 Eu2 O5 N3 -69.4(18) . . . . ?
O1 Eu2 O5 N3 -115(2) 2_665 . . . ?
O1 Eu2 O5 N3 -146.5(19) 3_565 . . . ?
O2 C9 C10 C11 166(3) . . . . ?
O2 Eu1 N4 O7 -62(5) 3_565 . . . ?
O2 Eu1 N4 O7 -95(2) 2_665 . . . ?
O2 Eu1 N4 O7 -13(2) . . . . ?
O2 Eu1 N4 O8 122(5) 3_565 . . . ?
O2 Eu1 N4 O8 89.5(18) 2_665 . . . ?
O2 Eu1 N4 O8 171.0(18) . . . . ?
O2 Eu1 N4 O9 -76(30) 3_565 . . . ?
O2 Eu1 N4 O9 -108(29) 2_665 . . . ?
O2 Eu1 N4 O9 -27(29) . . . . ?
O2 Eu1 O2 C9 29(5) 3_565 . . . ?
O2 Eu1 O2 C9 -54(5) 2_665 . . . ?
O2 Eu1 O7 N4 166(3) . . . . ?
O2 Eu1 O7 N4 86(2) 2_665 . . . ?
O2 Eu1 O7 N4 163.9(17) 3_565 . . . ?
O2 Eu1 O8 N4 -10(2) . . . . ?
O2 Eu1 O8 N4 -90.8(18) 2_665 . . . ?
O2 Eu1 O8 N4 -158(2) 3_565 . . . ?
O3 Eu2 N3 O4 80(2) . . . . ?
O3 Eu2 N3 O5 -102.0(17) . . . . ?
O3 Eu2 N3 O6 145(9) . . . . ?
O3 Eu2 O1 C3 128(4) . . . . ?
O3 Eu2 O4 N3 -91(2) . . . . ?
O3 Eu2 O5 N3 70.5(17) . . . . ?
O4 Eu2 N3 O4 147(2) 3_565 . . . ?
O4 Eu2 N3 O4 40(2) 2_665 . . . ?
O4 Eu2 N3 O5 -34.5(16) 3_565 . . . ?
O4 Eu2 N3 O5 178(4) . . . . ?
O4 Eu2 N3 O5 -141.4(16) 2_665 . . . ?
O4 Eu2 N3 O6 -147(9) 3_565 . . . ?
O4 Eu2 N3 O6 66(9) . . . . ?
O4 Eu2 N3 O6 106(10) 2_665 . . . ?
O4 Eu2 O1 C3 43(4) 2_665 . . . ?
O4 Eu2 O1 C3 141(4) . . . . ?
O4 Eu2 O1 C3 -128(4) 3_565 . . . ?
O4 Eu2 O4 N3 -34(3) 3_565 . . . ?
O4 Eu2 O4 N3 -147.0(18) 2_665 . . . ?
O4 Eu2 O5 N3 141.4(18) 3_565 . . . ?
O4 Eu2 O5 N3 58(2) 2_665 . . . ?
O4 Eu2 O5 N3 -0.8(19) . . . . ?
O4 N3 O5 Eu2 2(3) . . . . ?
O5 Eu2 N3 O4 128(2) 3_565 . . . ?
O5 Eu2 N3 O4 -178(4) . . . . ?
O5 Eu2 N3 O4 3(2) 2_665 . . . ?
O5 Eu2 N3 O5 -178.3(18) 2_665 . . . ?
O5 Eu2 N3 O5 -53.9(17) 3_565 . . . ?
O5 Eu2 N3 O6 -167(9) 3_565 . . . ?
O5 Eu2 N3 O6 -113(10) . . . . ?
O5 Eu2 N3 O6 69(9) 2_665 . . . ?
O5 Eu2 O1 C3 -169(4) . . . . ?
O5 Eu2 O1 C3 -44(5) 3_565 . . . ?
O5 Eu2 O1 C3 73(4) 2_665 . . . ?
O5 Eu2 O4 N3 -78(3) 3_565 . . . ?
O5 Eu2 O4 N3 1(2) . . . . ?
O5 Eu2 O4 N3 -176(2) 2_665 . . . ?
O5 Eu2 O5 N3 139.1(16) 3_565 . . . ?
O5 Eu2 O5 N3 2(2) 2_665 . . . ?
O5 N3 O4 Eu2 -2(3) . . . . ?
O6 N3 O4 Eu2 -169(3) . . . . ?
O6 N3 O5 Eu2 168(3) . . . . ?
O7 Eu1 N4 O7 81.4(17) 3_565 . . . ?
O7 Eu1 N4 O7 -163(2) 2_665 . . . ?
O7 Eu1 N4 O8 -94.2(19) 3_565 . . . ?
O7 Eu1 N4 O8 21.3(18) 2_665 . . . ?
O7 Eu1 N4 O8 -176(3) . . . . ?
O7 Eu1 N4 O9 68(29) 3_565 . . . ?
O7 Eu1 N4 O9 -177(29) 2_665 . . . ?
O7 Eu1 N4 O9 -13(28) . . . . ?
O7 Eu1 O2 C9 -151(6) . . . . ?
O7 Eu1 O2 C9 96(6) 3_565 . . . ?
O7 Eu1 O2 C9 -52(6) 2_665 . . . ?
O7 Eu1 O7 N4 18(2) 2_665 . . . ?
O7 Eu1 O7 N4 -110.7(17) 3_565 . . . ?
O7 Eu1 O8 N4 -157(2) 2_665 . . . ?
O7 Eu1 O8 N4 100(2) 3_565 . . . ?
O7 Eu1 O8 N4 2.5(19) . . . . ?
O7 N4 O8 Eu1 -4(3) . . . . ?
O8 Eu1 N4 O7 148(2) 2_665 . . . ?
O8 Eu1 N4 O7 176(3) . . . . ?
O8 Eu1 N4 O7 76(2) 3_565 . . . ?
O8 Eu1 N4 O8 -99(2) 3_565 . . . ?
O8 Eu1 N4 O8 -27.9(19) 2_665 . . . ?
O8 Eu1 N4 O9 134(29) 2_665 . . . ?
O8 Eu1 N4 O9 63(29) 3_565 . . . ?
O8 Eu1 N4 O9 162(30) . . . . ?
O8 Eu1 O2 C9 146(6) 3_565 . . . ?
O8 Eu1 O2 C9 -140(5) . . . . ?
O8 Eu1 O2 C9 98(6) 2_665 . . . ?
O8 Eu1 O7 N4 -93(2) 3_565 . . . ?
O8 Eu1 O7 N4 -37(2) 2_665 . . . ?
O8 Eu1 O7 N4 -2.4(19) . . . . ?
O8 Eu1 O8 N4 73(2) 3_565 . . . ?
O8 Eu1 O8 N4 151.3(19) 2_665 . . . ?
O8 N4 O7 Eu1 4(3) . . . . ?
O9 N4 O7 Eu1 179(2) . . . . ?
O9 N4 O8 Eu1 -178(3) . . . . ?

_database_code_depnum_ccdc_archive 'CCDC 965141'