# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
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data_mo_i06vb42_0m_ba
_database_code_depnum_ccdc_archive 'CCDC 1853426'
_audit_update_record             
;
2018-07-04 deposited with the CCDC.
2018-11-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C30 H26 Eu N5 Ni O13'
_chemical_formula_sum            'C30 H26 Eu N5 Ni O13'
_chemical_formula_weight         875.23

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'
Ni Ni 0.3393 1.1124 '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      monoclinic
_space_group_IT_number           5
_space_group_name_H-M_alt        'C 2'
_space_group_name_Hall           'C 2y'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'

_cell_length_a                   19.1253(11)
_cell_length_b                   15.5700(8)
_cell_length_c                   22.0836(12)
_cell_angle_alpha                90
_cell_angle_beta                 99.096(2)
_cell_angle_gamma                90
_cell_volume                     6493.4(6)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9504
_cell_measurement_theta_min      2.62
_cell_measurement_theta_max      30.55

_exptl_crystal_description       prism
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.791
_exptl_crystal_F_000             3488
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.383
_exptl_crystal_size_mid          0.213
_exptl_crystal_size_min          0.086
_exptl_absorpt_coefficient_mu    2.569
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6063
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   microfocus
_diffrn_measurement_device_type  'D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            98906
_diffrn_reflns_av_R_equivalents  0.0700
_diffrn_reflns_av_sigmaI/netI    0.0573
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         2.016
_diffrn_reflns_theta_max         30.603
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_point_group_measured_fraction_full 0.992
_reflns_number_total             19717
_reflns_number_gt                16410
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.915
_reflns_Friedel_fraction_max     0.973
_reflns_Friedel_fraction_full    0.986

_reflns_special_details          
;
 Data were apparently pre-merged, so _diffrn_reflns_number
 etc. will have to be added later.
 
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences. These statistics refer to single and
 composite reflections containing twin component 1 only.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0477P)²+4.4447P]
 where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
 Upon completion of the refinement, PLATON (spek, 1991) was 
 used to verify the correctness of the structure and a new 
 space group was suggested (C2/c) But the molecule was 
 chiral and chiral molecules are incompatible with an inversion centre, 
;
_refine_ls_abs_structure_Flack   0.134(14)
_chemical_absolute_configuration rm
_refine_ls_number_reflns         19717
_refine_ls_number_parameters     876
_refine_ls_number_restraints     4
_refine_ls_R_factor_all          0.0499
_refine_ls_R_factor_gt           0.0387
_refine_ls_wR_factor_ref         0.1045
_refine_ls_wR_factor_gt          0.0991
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_restrained_S_all      1.053
_refine_ls_shift/su_max          0.002
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1A Eu 0.64237(2) 0.40019(2) 0.86002(2) 0.02622(10) Uani 1 1 d . . . . .
Ni1A Ni 0.66438(4) 0.29779(7) 0.99804(4) 0.0220(2) Uani 1 1 d . . . . .
O1A O 0.6395(3) 0.2623(5) 0.7972(3) 0.0449(15) Uani 1 1 d . U . . .
O2A O 0.6615(3) 0.2695(4) 0.9169(2) 0.0322(13) Uani 1 1 d . . . . .
O3A O 0.6274(2) 0.4008(4) 0.96667(19) 0.0211(9) Uani 1 1 d . . . . .
O4A O 0.5847(3) 0.5296(4) 0.9029(2) 0.0266(12) Uani 1 1 d . . . . .
O5A O 0.5196(3) 0.3519(5) 0.8691(3) 0.0414(16) Uani 1 1 d . . . . .
O6A O 0.5363(3) 0.4138(5) 0.7847(2) 0.0380(14) Uani 1 1 d . . . . .
O7A O 0.4292(3) 0.3685(5) 0.7938(3) 0.0505(17) Uani 1 1 d . . . . .
O8A O 0.6664(3) 0.4535(5) 0.7540(3) 0.0431(16) Uani 1 1 d . . . . .
O9A O 0.6915(3) 0.5385(4) 0.8301(3) 0.0320(13) Uani 1 1 d . . . . .
O10A O 0.7164(3) 0.5785(5) 0.7421(2) 0.0400(15) Uani 1 1 d . . . . .
O11A O 0.7637(3) 0.3629(4) 0.8438(3) 0.0410(14) Uani 1 1 d . . . . .
O12A O 0.7580(3) 0.4245(5) 0.9318(2) 0.0366(15) Uani 1 1 d . . . . .
O13A O 0.8583(3) 0.3653(5) 0.9141(3) 0.0520(18) Uani 1 1 d . . . . .
N1A N 0.6962(3) 0.1947(5) 1.0283(3) 0.0355(15) Uani 1 1 d . . . . .
N2A N 0.6733(3) 0.3314(4) 1.0788(3) 0.0279(13) Uani 1 1 d . . . . .
N3A N 0.4935(3) 0.3792(6) 0.8137(3) 0.042(2) Uani 1 1 d . . . . .
N4A N 0.6929(3) 0.5249(5) 0.7746(3) 0.0284(15) Uani 1 1 d . . . . .
N5A N 0.7959(3) 0.3816(5) 0.8981(3) 0.0382(17) Uani 1 1 d . . . . .
C1A C 0.6255(5) 0.2570(7) 0.7313(4) 0.049(2) Uani 1 1 d . . . . .
H1AA H 0.6069 0.3121 0.7144 0.074 Uiso 1 1 calc R U . . .
H1AB H 0.5905 0.2117 0.7190 0.074 Uiso 1 1 calc R U . . .
H1AC H 0.6695 0.2435 0.7158 0.074 Uiso 1 1 calc R U . . .
C2A C 0.6615(4) 0.1853(7) 0.8277(4) 0.0444(19) Uani 1 1 d . U . . .
C3A C 0.6680(4) 0.1086(6) 0.8015(4) 0.0374(19) Uani 1 1 d . . . . .
H3A H 0.6608 0.1021 0.7582 0.045 Uiso 1 1 calc R U . . .
C4A C 0.6856(4) 0.0392(7) 0.8405(5) 0.047(2) Uani 1 1 d . . . . .
H4A H 0.6900 -0.0152 0.8220 0.056 Uiso 1 1 calc R U . . .
C5A C 0.6962(4) 0.0419(6) 0.8983(5) 0.042(2) Uani 1 1 d . . . . .
H5A H 0.7075 -0.0089 0.9216 0.051 Uiso 1 1 calc R U . . .
C6A C 0.6912(4) 0.1217(6) 0.9281(4) 0.0345(18) Uani 1 1 d . U . . .
C7A C 0.6719(4) 0.1901(6) 0.8951(4) 0.038(2) Uani 1 1 d . . . . .
C8A C 0.7036(4) 0.1234(7) 0.9946(4) 0.045(2) Uani 1 1 d . U . . .
H8A H 0.7179 0.0717 1.0157 0.054 Uiso 1 1 calc R U . . .
C9A C 0.6989(4) 0.1823(5) 1.0970(3) 0.0402(16) Uani 1 1 d . . . . .
H9A H 0.7387 0.1424 1.1126 0.048 Uiso 1 1 calc R U . . .
C10A C 0.6309(6) 0.1466(8) 1.1133(6) 0.0739(13) Uani 1 1 d . . . . .
C11A C 0.6312(6) 0.0759(8) 1.1481(6) 0.0739(13) Uani 1 1 d . . . . .
H11A H 0.6763 0.0526 1.1641 0.089 Uiso 1 1 calc R U . . .
C12A C 0.5730(6) 0.0337(9) 1.1630(6) 0.0739(13) Uani 1 1 d . . . . .
H12A H 0.5768 -0.0204 1.1831 0.089 Uiso 1 1 calc R U . . .
C13A C 0.5081(6) 0.0754(8) 1.1467(6) 0.0739(13) Uani 1 1 d . . . . .
H13A H 0.4654 0.0495 1.1545 0.089 Uiso 1 1 calc R U . . .
C14A C 0.5071(6) 0.1543(8) 1.1193(6) 0.0739(13) Uani 1 1 d . . . . .
H14A H 0.4642 0.1862 1.1131 0.089 Uiso 1 1 calc R U . . .
C15A C 0.5682(6) 0.1903(9) 1.0998(6) 0.0739(13) Uani 1 1 d . . . . .
H15A H 0.5656 0.2430 1.0780 0.089 Uiso 1 1 calc R U . . .
C16A C 0.7169(4) 0.2704(5) 1.1219(3) 0.0399(16) Uani 1 1 d . . . . .
H16A H 0.7017 0.2751 1.1631 0.048 Uiso 1 1 calc R U . . .
C17A C 0.7965(4) 0.2900(5) 1.1289(4) 0.0382(17) Uani 1 1 d . . . . .
C18A C 0.8380(5) 0.2780(7) 1.1815(5) 0.051(2) Uani 1 1 d . . . . .
H18A H 0.8199 0.2525 1.2149 0.061 Uiso 1 1 calc R U . . .
C19A C 0.9085(5) 0.3030(7) 1.1880(5) 0.055(3) Uani 1 1 d . . . . .
H19A H 0.9364 0.2981 1.2274 0.066 Uiso 1 1 calc R U . . .
C20A C 0.9398(5) 0.3334(7) 1.1424(5) 0.055(3) Uani 1 1 d . . . . .
H20A H 0.9883 0.3495 1.1481 0.066 Uiso 1 1 calc R U . . .
C21A C 0.8996(5) 0.3393(7) 1.0907(5) 0.048(2) Uani 1 1 d . . . . .
H21A H 0.9196 0.3625 1.0575 0.058 Uiso 1 1 calc R U . . .
C22A C 0.8289(4) 0.3145(6) 1.0788(4) 0.040(2) Uani 1 1 d . . . . .
H22A H 0.8034 0.3142 1.0382 0.048 Uiso 1 1 calc R U . . .
C23A C 0.6595(3) 0.4071(6) 1.1001(3) 0.0292(15) Uani 1 1 d . . . . .
H23A H 0.6684 0.4157 1.1432 0.035 Uiso 1 1 calc R U . . .
C24A C 0.6325(3) 0.4758(5) 1.0629(3) 0.0210(14) Uani 1 1 d . . . . .
C25A C 0.6243(3) 0.5571(5) 1.0900(3) 0.0244(15) Uani 1 1 d . . . . .
H25A H 0.6339 0.5618 1.1334 0.029 Uiso 1 1 calc R U . . .
C26A C 0.6036(4) 0.6273(6) 1.0572(3) 0.0331(18) Uani 1 1 d . . . . .
H26A H 0.5982 0.6801 1.0775 0.040 Uiso 1 1 calc R U . . .
C27A C 0.5893(4) 0.6234(6) 0.9911(4) 0.0310(18) Uani 1 1 d . . . . .
H27A H 0.5756 0.6733 0.9674 0.037 Uiso 1 1 calc R U . . .
C28A C 0.5961(4) 0.5445(6) 0.9632(3) 0.0253(16) Uani 1 1 d . . . . .
C29A C 0.6183(3) 0.4690(4) 0.9985(3) 0.0145(12) Uani 1 1 d . . . . .
C30A C 0.5576(4) 0.6025(7) 0.8638(3) 0.035(2) Uani 1 1 d . . . . .
H30A H 0.5431 0.5825 0.8216 0.053 Uiso 1 1 calc R U . . .
H30B H 0.5949 0.6459 0.8646 0.053 Uiso 1 1 calc R U . . .
H30C H 0.5169 0.6279 0.8791 0.053 Uiso 1 1 calc R U . . .
Eu2B Eu 0.64732(2) 0.59059(2) 0.36106(2) 0.02532(9) Uani 1 1 d . . . . .
Ni1B Ni 0.66405(4) 0.69087(7) 0.50031(4) 0.01962(19) Uani 1 1 d . . . . .
O1B O 0.5879(3) 0.4585(4) 0.3984(2) 0.0288(13) Uani 1 1 d . . . . .
O2B O 0.6246(2) 0.5917(5) 0.4665(2) 0.0245(10) Uani 1 1 d . . . . .
O3B O 0.6708(3) 0.7171(4) 0.4196(2) 0.0319(13) Uani 1 1 d . . . . .
O4B O 0.6500(3) 0.7327(4) 0.3026(2) 0.0303(12) Uani 1 1 d . . . . .
O5B O 0.6975(3) 0.4552(4) 0.3334(2) 0.0332(14) Uani 1 1 d . . . . .
O6B O 0.6775(3) 0.5402(5) 0.2560(2) 0.0408(15) Uani 1 1 d . . . . .
O7B O 0.7263(3) 0.4168(5) 0.2443(2) 0.0425(16) Uani 1 1 d . . . . .
O8B O 0.5454(3) 0.5821(5) 0.2787(2) 0.0349(13) Uani 1 1 d . . . . .
O9B O 0.4382(3) 0.6300(5) 0.2861(2) 0.0392(14) Uani 1 1 d . . . . .
O10B O 0.5229(3) 0.6369(5) 0.3621(3) 0.0386(15) Uani 1 1 d . . . . .
O11B O 0.7575(3) 0.5584(4) 0.4366(3) 0.0361(15) Uani 1 1 d . . . . .
O12B O 0.7736(3) 0.6266(5) 0.3546(3) 0.0409(15) Uani 1 1 d . . . . .
O13B O 0.8638(4) 0.6027(6) 0.4270(4) 0.072(2) Uani 1 1 d . . . . .
N1B N 0.6560(3) 0.6646(5) 0.5788(3) 0.0332(15) Uani 1 1 d . . . . .
N2B N 0.7065(4) 0.7912(6) 0.5311(3) 0.0400(17) Uani 1 1 d . . . . .
N3B N 0.4993(3) 0.6149(4) 0.3089(3) 0.0282(15) Uani 1 1 d . . . . .
N4B N 0.7012(3) 0.4677(5) 0.2766(3) 0.0320(16) Uani 1 1 d . . . . .
N5B N 0.7993(3) 0.5916(7) 0.4059(3) 0.049(2) Uani 1 1 d . . . . .
C1B C 0.5558(4) 0.3928(7) 0.3597(3) 0.0332(17) Uani 1 1 d . . . . .
H1BA H 0.5465 0.4137 0.3173 0.050 Uiso 1 1 calc R U . . .
H1BB H 0.5111 0.3759 0.3727 0.050 Uiso 1 1 calc R U . . .
H1BC H 0.5875 0.3430 0.3622 0.050 Uiso 1 1 calc R U . . .
C2B C 0.5950(3) 0.4437(5) 0.4630(3) 0.0214(15) Uani 1 1 d . . . . .
C3B C 0.5903(4) 0.3663(6) 0.4901(4) 0.0324(19) Uani 1 1 d . . . . .
H3B H 0.5800 0.3165 0.4655 0.039 Uiso 1 1 calc R U . . .
C4B C 0.6006(4) 0.3592(6) 0.5543(4) 0.0322(18) Uani 1 1 d . . . . .
H4B H 0.5989 0.3049 0.5735 0.039 Uiso 1 1 calc R U . . .
C5B C 0.6134(4) 0.4345(6) 0.5892(4) 0.0316(17) Uani 1 1 d . . . . .
H5B H 0.6159 0.4321 0.6325 0.038 Uiso 1 1 calc R U . . .
C6B C 0.6224(3) 0.5128(5) 0.5608(3) 0.0221(14) Uani 1 1 d . . . . .
C7B C 0.6144(3) 0.5176(5) 0.4963(3) 0.0236(16) Uani 1 1 d . . . . .
C8B C 0.6400(3) 0.5906(6) 0.5994(3) 0.0254(12) Uani 1 1 d . . . . .
H8B H 0.6394 0.5855 0.6422 0.031 Uiso 1 1 calc R U . . .
C9B C 0.6679(4) 0.7371(5) 0.6218(3) 0.0420(17) Uani 1 1 d . . . . .
H9B H 0.6823 0.7158 0.6646 0.050 Uiso 1 1 calc R U . . .
C10B C 0.6066(4) 0.7998(6) 0.6191(3) 0.0413(16) Uani 1 1 d . . . . .
C11B C 0.6144(5) 0.8692(6) 0.6591(4) 0.055(2) Uani 1 1 d . . . . .
H11B H 0.6575 0.8780 0.6863 0.066 Uiso 1 1 calc R U . . .
C12B C 0.5570(5) 0.9262(8) 0.6585(5) 0.069(3) Uani 1 1 d . U . . .
H12B H 0.5623 0.9732 0.6862 0.083 Uiso 1 1 calc R U . . .
C13B C 0.4961(4) 0.9170(7) 0.6211(4) 0.054(2) Uani 1 1 d . U . . .
H13B H 0.4582 0.9554 0.6245 0.065 Uiso 1 1 calc R U . . .
C14B C 0.4861(5) 0.8518(6) 0.5764(4) 0.058(2) Uani 1 1 d . . . . .
H14B H 0.4445 0.8485 0.5466 0.070 Uiso 1 1 calc R U . . .
C15B C 0.5440(5) 0.7889(7) 0.5785(5) 0.061(2) Uani 1 1 d . . . . .
H15B H 0.5385 0.7406 0.5518 0.073 Uiso 1 1 calc R U . . .
C16B C 0.7299(4) 0.7812(5) 0.5992(3) 0.0382(16) Uani 1 1 d . . . . .
H16B H 0.7359 0.8396 0.6180 0.046 Uiso 1 1 calc R U . . .
C17B C 0.8004(4) 0.7310(5) 0.6164(4) 0.0349(16) Uani 1 1 d . . . . .
C18B C 0.8291(6) 0.7248(8) 0.6849(5) 0.061(3) Uani 1 1 d . . . . .
H18B H 0.8039 0.7461 0.7154 0.073 Uiso 1 1 calc R U . . .
C19B C 0.8937(5) 0.6863(7) 0.6990(5) 0.050(2) Uani 1 1 d . . . . .
H19B H 0.9165 0.6850 0.7404 0.059 Uiso 1 1 calc R U . . .
C20B C 0.9259(5) 0.6499(8) 0.6550(5) 0.062(3) Uani 1 1 d . . . . .
H20B H 0.9700 0.6224 0.6682 0.074 Uiso 1 1 calc R U . . .
C21B C 0.8982(5) 0.6487(8) 0.5862(5) 0.053(3) Uani 1 1 d . . . . .
H21B H 0.9237 0.6261 0.5562 0.064 Uiso 1 1 calc R U . . .
C22B C 0.8324(4) 0.6842(7) 0.5733(5) 0.046(2) Uani 1 1 d . . . . .
H22B H 0.8066 0.6771 0.5331 0.055 Uiso 1 1 calc R U . . .
C23B C 0.7170(4) 0.8553(6) 0.5029(4) 0.0338(17) Uani 1 1 d . . . . .
H23B H 0.7387 0.9020 0.5264 0.041 Uiso 1 1 calc R U . . .
C24B C 0.7005(4) 0.8686(5) 0.4386(3) 0.0268(15) Uani 1 1 d . . . . .
C25B C 0.7072(4) 0.9480(6) 0.4112(4) 0.0364(19) Uani 1 1 d . . . . .
H25B H 0.7191 0.9962 0.4372 0.044 Uiso 1 1 calc R U . . .
C26B C 0.6974(5) 0.9614(7) 0.3473(5) 0.043(2) Uani 1 1 d . . . . .
H26B H 0.7030 1.0167 0.3304 0.052 Uiso 1 1 calc R U . . .
C27B C 0.6793(4) 0.8907(6) 0.3102(4) 0.0332(17) Uani 1 1 d . . . . .
H27B H 0.6727 0.8980 0.2670 0.040 Uiso 1 1 calc R U . . .
C28B C 0.6701(4) 0.8050(6) 0.3350(4) 0.0314(16) Uani 1 1 d . . . . .
C29B C 0.6806(3) 0.7937(5) 0.3974(3) 0.0234(14) Uani 1 1 d . . . . .
C30B C 0.6357(5) 0.7412(9) 0.2371(4) 0.057(3) Uani 1 1 d . . . . .
H30D H 0.6779 0.7632 0.2222 0.085 Uiso 1 1 calc R U . . .
H30E H 0.5962 0.7812 0.2258 0.085 Uiso 1 1 calc R U . . .
H30F H 0.6231 0.6850 0.2186 0.085 Uiso 1 1 calc R U . . .


_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
Eu1A O2A 2.389(6) . ?
Eu1A O3A 2.417(4) . ?
Eu1A O6A 2.421(5) . ?
Eu1A O11A 2.472(6) . ?
Eu1A O9A 2.480(6) . ?
Eu1A O5A 2.504(6) . ?
Eu1A O12A 2.538(5) . ?
Eu1A O4A 2.550(6) . ?
Eu1A O1A 2.552(7) . ?
Eu1A O8A 2.593(6) . ?
Eu1A N3A 2.888(7) . ?
Eu1A N5A 2.938(7) . ?
Ni1A N1A 1.806(7) . ?
Ni1A O2A 1.838(6) . ?
Ni1A N2A 1.840(6) . ?
Ni1A O3A 1.843(6) . ?
O1A C2A 1.407(13) . ?
O1A C1A 1.439(10) . ?
O2A C7A 1.354(11) . ?
O3A C29A 1.301(9) . ?
O4A C28A 1.336(9) . ?
O4A C30A 1.471(10) . ?
O5A N3A 1.319(9) . ?
O6A N3A 1.238(9) . ?
O7A N3A 1.250(9) . ?
O8A N4A 1.275(9) . ?
O9A N4A 1.249(8) . ?
O10A N4A 1.232(9) . ?
O11A N5A 1.292(9) . ?
O12A N5A 1.301(9) . ?
O13A N5A 1.217(9) . ?
N1A C8A 1.357(12) . ?
N1A C9A 1.523(10) . ?
N2A C23A 1.311(11) . ?
N2A C16A 1.502(9) . ?
C1A H1AA 0.9800 . ?
C1A H1AB 0.9800 . ?
C1A H1AC 0.9800 . ?
C2A C3A 1.340(13) . ?
C2A C7A 1.472(12) . ?
C3A C4A 1.390(13) . ?
C3A H3A 0.9500 . ?
C4A C5A 1.261(13) . ?
C4A H4A 0.9500 . ?
C5A C6A 1.416(12) . ?
C5A H5A 0.9500 . ?
C6A C7A 1.309(13) . ?
C6A C8A 1.450(12) . ?
C8A H8A 0.9500 . ?
C9A C16A 1.496(11) . ?
C9A C10A 1.510(13) . ?
C9A H9A 1.0000 . ?
C10A C11A 1.341(16) . ?
C10A C15A 1.370(15) . ?
C11A C12A 1.377(15) . ?
C11A H11A 0.9500 . ?
C12A C13A 1.398(15) . ?
C12A H12A 0.9500 . ?
C13A C14A 1.368(16) . ?
C13A H13A 0.9500 . ?
C14A C15A 1.422(15) . ?
C14A H14A 0.9500 . ?
C15A H15A 0.9500 . ?
C16A C17A 1.536(11) . ?
C16A H16A 1.0000 . ?
C17A C18A 1.313(12) . ?
C17A C22A 1.403(12) . ?
C18A C19A 1.390(13) . ?
C18A H18A 0.9500 . ?
C19A C20A 1.335(15) . ?
C19A H19A 0.9500 . ?
C20A C21A 1.276(13) . ?
C20A H20A 0.9500 . ?
C21A C22A 1.391(12) . ?
C21A H21A 0.9500 . ?
C22A H22A 0.9500 . ?
C23A C24A 1.397(11) . ?
C23A H23A 0.9500 . ?
C24A C29A 1.409(9) . ?
C24A C25A 1.419(10) . ?
C25A C26A 1.336(11) . ?
C25A H25A 0.9500 . ?
C26A C27A 1.442(10) . ?
C26A H26A 0.9500 . ?
C27A C28A 1.390(11) . ?
C27A H27A 0.9500 . ?
C28A C29A 1.437(10) . ?
C30A H30A 0.9800 . ?
C30A H30B 0.9800 . ?
C30A H30C 0.9800 . ?
Eu2B O3B 2.360(6) . ?
Eu2B O5B 2.434(7) . ?
Eu2B O2B 2.436(4) . ?
Eu2B O8B 2.449(5) . ?
Eu2B O10B 2.490(6) . ?
Eu2B O12B 2.505(5) . ?
Eu2B O11B 2.522(5) . ?
Eu2B O1B 2.549(6) . ?
Eu2B O4B 2.566(6) . ?
Eu2B O6B 2.599(6) . ?
Eu2B N3B 2.908(6) . ?
Eu2B N5B 2.919(7) . ?
Ni1B N1B 1.811(7) . ?
Ni1B O2B 1.826(7) . ?
Ni1B N2B 1.840(8) . ?
Ni1B O3B 1.852(5) . ?
O1B C1B 1.409(10) . ?
O1B C2B 1.432(8) . ?
O2B C7B 1.357(10) . ?
O3B C29B 1.315(9) . ?
O4B C28B 1.355(10) . ?
O4B C30B 1.435(10) . ?
O5B N4B 1.284(8) . ?
O6B N4B 1.274(10) . ?
O7B N4B 1.213(9) . ?
O8B N3B 1.292(8) . ?
O9B N3B 1.219(8) . ?
O10B N3B 1.240(8) . ?
O11B N5B 1.241(10) . ?
O12B N5B 1.285(10) . ?
O13B N5B 1.259(9) . ?
N1B C8B 1.293(11) . ?
N1B C9B 1.469(10) . ?
N2B C23B 1.210(11) . ?
N2B C16B 1.507(9) . ?
C1B H1BA 0.9800 . ?
C1B H1BB 0.9800 . ?
C1B H1BC 0.9800 . ?
C2B C3B 1.355(11) . ?
C2B C7B 1.384(11) . ?
C3B C4B 1.404(11) . ?
C3B H3B 0.9500 . ?
C4B C5B 1.404(11) . ?
C4B H4B 0.9500 . ?
C5B C6B 1.395(11) . ?
C5B H5B 0.9500 . ?
C6B C7B 1.410(9) . ?
C6B C8B 1.489(11) . ?
C8B H8B 0.9500 . ?
C9B C10B 1.519(11) . ?
C9B C16B 1.522(11) . ?
C9B H9B 1.0000 . ?
C10B C11B 1.387(12) . ?
C10B C15B 1.389(11) . ?
C11B C12B 1.410(14) . ?
C11B H11B 0.9500 . ?
C12B C13B 1.327(13) . ?
C12B H12B 0.9500 . ?
C13B C14B 1.408(12) . ?
C13B H13B 0.9500 . ?
C14B C15B 1.473(13) . ?
C14B H14B 0.9500 . ?
C15B H15B 0.9500 . ?
C16B C17B 1.553(10) . ?
C16B H16B 1.0000 . ?
C17B C22B 1.413(13) . ?
C17B C18B 1.528(13) . ?
C18B C19B 1.363(14) . ?
C18B H18B 0.9500 . ?
C19B C20B 1.355(15) . ?
C19B H19B 0.9500 . ?
C20B C21B 1.528(14) . ?
C20B H20B 0.9500 . ?
C21B C22B 1.363(12) . ?
C21B H21B 0.9500 . ?
C22B H22B 0.9500 . ?
C23B C24B 1.418(10) . ?
C23B H23B 0.9500 . ?
C24B C25B 1.391(12) . ?
C24B C29B 1.492(11) . ?
C25B C26B 1.411(13) . ?
C25B H25B 0.9500 . ?
C26B C27B 1.383(14) . ?
C26B H26B 0.9500 . ?
C27B C28B 1.463(12) . ?
C27B H27B 0.9500 . ?
C28B C29B 1.372(10) . ?
C30B H30D 0.9800 . ?
C30B H30E 0.9800 . ?
C30B H30F 0.9800 . ?

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
O2A Eu1A O3A 61.5(2) . . ?
O2A Eu1A O6A 118.5(2) . . ?
O3A Eu1A O6A 116.97(16) . . ?
O2A Eu1A O11A 78.9(2) . . ?
O3A Eu1A O11A 113.62(17) . . ?
O6A Eu1A O11A 128.66(19) . . ?
O2A Eu1A O9A 147.85(19) . . ?
O3A Eu1A O9A 111.4(2) . . ?
O6A Eu1A O9A 93.0(2) . . ?
O11A Eu1A O9A 76.2(2) . . ?
O2A Eu1A O5A 76.7(2) . . ?
O3A Eu1A O5A 70.47(17) . . ?
O6A Eu1A O5A 52.2(2) . . ?
O11A Eu1A O5A 148.7(3) . . ?
O9A Eu1A O5A 133.0(2) . . ?
O2A Eu1A O12A 75.7(2) . . ?
O3A Eu1A O12A 67.47(15) . . ?
O6A Eu1A O12A 165.7(3) . . ?
O11A Eu1A O12A 51.68(19) . . ?
O9A Eu1A O12A 73.0(2) . . ?
O5A Eu1A O12A 136.94(18) . . ?
O2A Eu1A O4A 121.14(18) . . ?
O3A Eu1A O4A 60.69(18) . . ?
O6A Eu1A O4A 79.7(2) . . ?
O11A Eu1A O4A 135.3(2) . . ?
O9A Eu1A O4A 67.50(18) . . ?
O5A Eu1A O4A 75.0(2) . . ?
O12A Eu1A O4A 92.08(18) . . ?
O2A Eu1A O1A 63.7(2) . . ?
O3A Eu1A O1A 122.5(2) . . ?
O6A Eu1A O1A 75.9(2) . . ?
O11A Eu1A O1A 70.3(2) . . ?
O9A Eu1A O1A 124.2(2) . . ?
O5A Eu1A O1A 81.4(2) . . ?
O12A Eu1A O1A 114.0(2) . . ?
O4A Eu1A O1A 153.26(18) . . ?
O2A Eu1A O8A 135.5(2) . . ?
O3A Eu1A O8A 160.7(2) . . ?
O6A Eu1A O8A 66.47(18) . . ?
O11A Eu1A O8A 68.88(19) . . ?
O9A Eu1A O8A 49.7(2) . . ?
O5A Eu1A O8A 118.12(18) . . ?
O12A Eu1A O8A 104.75(18) . . ?
O4A Eu1A O8A 103.4(2) . . ?
O1A Eu1A O8A 76.7(2) . . ?
O2A Eu1A N3A 98.7(2) . . ?
O3A Eu1A N3A 94.81(17) . . ?
O6A Eu1A N3A 25.0(2) . . ?
O11A Eu1A N3A 144.8(2) . . ?
O9A Eu1A N3A 113.4(2) . . ?
O5A Eu1A N3A 27.13(19) . . ?
O12A Eu1A N3A 162.09(18) . . ?
O4A Eu1A N3A 76.1(2) . . ?
O1A Eu1A N3A 77.1(2) . . ?
O8A Eu1A N3A 91.24(18) . . ?
O2A Eu1A N5A 72.7(2) . . ?
O3A Eu1A N5A 89.34(17) . . ?
O6A Eu1A N5A 153.68(19) . . ?
O11A Eu1A N5A 25.83(19) . . ?
O9A Eu1A N5A 76.0(2) . . ?
O5A Eu1A N5A 148.7(2) . . ?
O12A Eu1A N5A 26.21(19) . . ?
O4A Eu1A N5A 116.31(19) . . ?
O1A Eu1A N5A 90.4(2) . . ?
O8A Eu1A N5A 88.74(19) . . ?
N3A Eu1A N5A 167.2(3) . . ?
N1A Ni1A O2A 96.0(3) . . ?
N1A Ni1A N2A 85.4(3) . . ?
O2A Ni1A N2A 175.5(3) . . ?
N1A Ni1A O3A 177.1(3) . . ?
O2A Ni1A O3A 83.8(2) . . ?
N2A Ni1A O3A 95.0(2) . . ?
N1A Ni1A Eu1A 137.2(2) . . ?
O2A Ni1A Eu1A 42.2(2) . . ?
N2A Ni1A Eu1A 135.5(2) . . ?
O3A Ni1A Eu1A 43.16(14) . . ?
C2A O1A C1A 115.4(8) . . ?
C2A O1A Eu1A 118.5(5) . . ?
C1A O1A Eu1A 125.6(6) . . ?
C7A O2A Ni1A 125.6(6) . . ?
C7A O2A Eu1A 127.6(5) . . ?
Ni1A O2A Eu1A 106.7(3) . . ?
C29A O3A Ni1A 125.7(4) . . ?
C29A O3A Eu1A 125.2(4) . . ?
Ni1A O3A Eu1A 105.4(2) . . ?
C28A O4A C30A 116.0(6) . . ?
C28A O4A Eu1A 119.7(4) . . ?
C30A O4A Eu1A 121.7(4) . . ?
N3A O5A Eu1A 92.9(4) . . ?
N3A O6A Eu1A 99.1(4) . . ?
N4A O8A Eu1A 94.2(4) . . ?
N4A O9A Eu1A 100.5(5) . . ?
N5A O11A Eu1A 97.7(4) . . ?
N5A O12A Eu1A 94.3(4) . . ?
C8A N1A C9A 117.0(7) . . ?
C8A N1A Ni1A 125.6(6) . . ?
C9A N1A Ni1A 116.0(5) . . ?
C23A N2A C16A 117.6(6) . . ?
C23A N2A Ni1A 127.7(5) . . ?
C16A N2A Ni1A 113.0(5) . . ?
O6A N3A O7A 124.8(7) . . ?
O6A N3A O5A 115.9(6) . . ?
O7A N3A O5A 119.3(7) . . ?
O6A N3A Eu1A 55.9(4) . . ?
O7A N3A Eu1A 178.8(7) . . ?
O5A N3A Eu1A 60.0(4) . . ?
O10A N4A O9A 121.6(7) . . ?
O10A N4A O8A 122.9(7) . . ?
O9A N4A O8A 115.4(7) . . ?
O10A N4A Eu1A 176.3(5) . . ?
O9A N4A Eu1A 55.1(4) . . ?
O8A N4A Eu1A 60.4(4) . . ?
O13A N5A O11A 121.7(7) . . ?
O13A N5A O12A 123.4(7) . . ?
O11A N5A O12A 114.8(6) . . ?
O13A N5A Eu1A 173.6(7) . . ?
O11A N5A Eu1A 56.5(4) . . ?
O12A N5A Eu1A 59.5(3) . . ?
O1A C1A H1AA 109.5 . . ?
O1A C1A H1AB 109.5 . . ?
H1AA C1A H1AB 109.5 . . ?
O1A C1A H1AC 109.5 . . ?
H1AA C1A H1AC 109.5 . . ?
H1AB C1A H1AC 109.5 . . ?
C3A C2A O1A 126.4(9) . . ?
C3A C2A C7A 118.3(10) . . ?
O1A C2A C7A 115.0(8) . . ?
C2A C3A C4A 117.1(9) . . ?
C2A C3A H3A 121.5 . . ?
C4A C3A H3A 121.5 . . ?
C5A C4A C3A 125.8(10) . . ?
C5A C4A H4A 117.1 . . ?
C3A C4A H4A 117.1 . . ?
C4A C5A C6A 119.2(10) . . ?
C4A C5A H5A 120.4 . . ?
C6A C5A H5A 120.4 . . ?
C7A C6A C5A 119.2(8) . . ?
C7A C6A C8A 122.3(8) . . ?
C5A C6A C8A 118.3(9) . . ?
C6A C7A O2A 126.1(8) . . ?
C6A C7A C2A 120.2(9) . . ?
O2A C7A C2A 113.7(9) . . ?
N1A C8A C6A 123.8(9) . . ?
N1A C8A H8A 118.1 . . ?
C6A C8A H8A 118.1 . . ?
C16A C9A C10A 114.0(8) . . ?
C16A C9A N1A 102.7(6) . . ?
C10A C9A N1A 112.9(7) . . ?
C16A C9A H9A 109.0 . . ?
C10A C9A H9A 109.0 . . ?
N1A C9A H9A 109.0 . . ?
C11A C10A C15A 117.2(11) . . ?
C11A C10A C9A 120.8(10) . . ?
C15A C10A C9A 121.5(10) . . ?
C10A C11A C12A 126.7(12) . . ?
C10A C11A H11A 116.6 . . ?
C12A C11A H11A 116.6 . . ?
C11A C12A C13A 115.8(12) . . ?
C11A C12A H12A 122.1 . . ?
C13A C12A H12A 122.1 . . ?
C14A C13A C12A 118.7(11) . . ?
C14A C13A H13A 120.7 . . ?
C12A C13A H13A 120.7 . . ?
C13A C14A C15A 122.3(11) . . ?
C13A C14A H14A 118.9 . . ?
C15A C14A H14A 118.9 . . ?
C10A C15A C14A 118.1(12) . . ?
C10A C15A H15A 121.0 . . ?
C14A C15A H15A 121.0 . . ?
C9A C16A N2A 106.0(6) . . ?
C9A C16A C17A 112.6(7) . . ?
N2A C16A C17A 112.3(6) . . ?
C9A C16A H16A 108.6 . . ?
N2A C16A H16A 108.6 . . ?
C17A C16A H16A 108.6 . . ?
C18A C17A C22A 117.1(8) . . ?
C18A C17A C16A 120.8(8) . . ?
C22A C17A C16A 122.0(7) . . ?
C17A C18A C19A 119.5(10) . . ?
C17A C18A H18A 120.2 . . ?
C19A C18A H18A 120.2 . . ?
C20A C19A C18A 124.4(10) . . ?
C20A C19A H19A 117.8 . . ?
C18A C19A H19A 117.8 . . ?
C21A C20A C19A 114.9(10) . . ?
C21A C20A H20A 122.6 . . ?
C19A C20A H20A 122.6 . . ?
C20A C21A C22A 125.5(11) . . ?
C20A C21A H21A 117.3 . . ?
C22A C21A H21A 117.3 . . ?
C21A C22A C17A 117.7(9) . . ?
C21A C22A H22A 121.2 . . ?
C17A C22A H22A 121.2 . . ?
N2A C23A C24A 123.6(7) . . ?
N2A C23A H23A 118.2 . . ?
C24A C23A H23A 118.2 . . ?
C23A C24A C29A 122.0(7) . . ?
C23A C24A C25A 119.3(7) . . ?
C29A C24A C25A 118.5(7) . . ?
C26A C25A C24A 122.9(7) . . ?
C26A C25A H25A 118.6 . . ?
C24A C25A H25A 118.6 . . ?
C25A C26A C27A 120.5(8) . . ?
C25A C26A H26A 119.8 . . ?
C27A C26A H26A 119.8 . . ?
C28A C27A C26A 118.0(8) . . ?
C28A C27A H27A 121.0 . . ?
C26A C27A H27A 121.0 . . ?
O4A C28A C27A 125.7(7) . . ?
O4A C28A C29A 112.7(7) . . ?
C27A C28A C29A 121.5(7) . . ?
O3A C29A C24A 125.9(6) . . ?
O3A C29A C28A 115.3(6) . . ?
C24A C29A C28A 118.6(6) . . ?
O4A C30A H30A 109.5 . . ?
O4A C30A H30B 109.5 . . ?
H30A C30A H30B 109.5 . . ?
O4A C30A H30C 109.5 . . ?
H30A C30A H30C 109.5 . . ?
H30B C30A H30C 109.5 . . ?
O3B Eu2B O5B 144.28(19) . . ?
O3B Eu2B O2B 61.1(2) . . ?
O5B Eu2B O2B 112.5(2) . . ?
O3B Eu2B O8B 120.8(2) . . ?
O5B Eu2B O8B 93.8(2) . . ?
O2B Eu2B O8B 117.93(15) . . ?
O3B Eu2B O10B 81.5(2) . . ?
O5B Eu2B O10B 132.0(2) . . ?
O2B Eu2B O10B 70.94(17) . . ?
O8B Eu2B O10B 51.19(18) . . ?
O3B Eu2B O12B 75.1(2) . . ?
O5B Eu2B O12B 76.0(2) . . ?
O2B Eu2B O12B 111.88(17) . . ?
O8B Eu2B O12B 129.10(18) . . ?
O10B Eu2B O12B 150.1(3) . . ?
O3B Eu2B O11B 74.73(19) . . ?
O5B Eu2B O11B 70.88(19) . . ?
O2B Eu2B O11B 68.01(16) . . ?
O8B Eu2B O11B 164.5(2) . . ?
O10B Eu2B O11B 138.65(18) . . ?
O12B Eu2B O11B 51.00(19) . . ?
O3B Eu2B O1B 123.51(18) . . ?
O5B Eu2B O1B 66.2(2) . . ?
O2B Eu2B O1B 62.7(2) . . ?
O8B Eu2B O1B 81.5(2) . . ?
O10B Eu2B O1B 75.8(2) . . ?
O12B Eu2B O1B 133.0(2) . . ?
O11B Eu2B O1B 89.68(19) . . ?
O3B Eu2B O4B 62.53(18) . . ?
O5B Eu2B O4B 125.52(18) . . ?
O2B Eu2B O4B 119.7(2) . . ?
O8B Eu2B O4B 75.6(2) . . ?
O10B Eu2B O4B 81.4(2) . . ?
O12B Eu2B O4B 71.45(19) . . ?
O11B Eu2B O4B 115.01(19) . . ?
O1B Eu2B O4B 154.66(17) . . ?
O3B Eu2B O6B 133.7(2) . . ?
O5B Eu2B O6B 50.4(2) . . ?
O2B Eu2B O6B 162.6(2) . . ?
O8B Eu2B O6B 65.41(17) . . ?
O10B Eu2B O6B 116.30(18) . . ?
O12B Eu2B O6B 70.40(19) . . ?
O11B Eu2B O6B 104.52(18) . . ?
O1B Eu2B O6B 102.6(2) . . ?
O4B Eu2B O6B 77.68(19) . . ?
O3B Eu2B N3B 101.40(19) . . ?
O5B Eu2B N3B 114.28(19) . . ?
O2B Eu2B N3B 93.90(16) . . ?
O8B Eu2B N3B 26.15(17) . . ?
O10B Eu2B N3B 25.04(18) . . ?
O12B Eu2B N3B 146.64(19) . . ?
O11B Eu2B N3B 161.26(18) . . ?
O1B Eu2B N3B 77.10(18) . . ?
O4B Eu2B N3B 77.56(18) . . ?
O6B Eu2B N3B 91.43(18) . . ?
O3B Eu2B N5B 73.5(2) . . ?
O5B Eu2B N5B 71.3(2) . . ?
O2B Eu2B N5B 89.67(18) . . ?
O8B Eu2B N5B 152.25(18) . . ?
O10B Eu2B N5B 153.8(2) . . ?
O12B Eu2B N5B 26.0(2) . . ?
O11B Eu2B N5B 25.0(2) . . ?
O1B Eu2B N5B 111.5(2) . . ?
O4B Eu2B N5B 93.9(3) . . ?
O6B Eu2B N5B 87.43(19) . . ?
N3B Eu2B N5B 171.4(3) . . ?
N1B Ni1B O2B 96.2(3) . . ?
N1B Ni1B N2B 86.4(3) . . ?
O2B Ni1B N2B 177.0(3) . . ?
N1B Ni1B O3B 179.1(3) . . ?
O2B Ni1B O3B 83.1(2) . . ?
N2B Ni1B O3B 94.3(3) . . ?
N1B Ni1B Eu2B 138.4(2) . . ?
O2B Ni1B Eu2B 43.28(14) . . ?
N2B Ni1B Eu2B 133.9(2) . . ?
O3B Ni1B Eu2B 41.07(19) . . ?
C1B O1B C2B 116.8(6) . . ?
C1B O1B Eu2B 124.3(4) . . ?
C2B O1B Eu2B 118.4(4) . . ?
C7B O2B Ni1B 127.0(4) . . ?
C7B O2B Eu2B 121.2(5) . . ?
Ni1B O2B Eu2B 105.8(2) . . ?
C29B O3B Ni1B 126.5(5) . . ?
C29B O3B Eu2B 125.3(4) . . ?
Ni1B O3B Eu2B 107.9(3) . . ?
C28B O4B C30B 116.6(8) . . ?
C28B O4B Eu2B 118.5(4) . . ?
C30B O4B Eu2B 124.8(6) . . ?
N4B O5B Eu2B 101.5(5) . . ?
N4B O6B Eu2B 93.8(4) . . ?
N3B O8B Eu2B 97.2(4) . . ?
N3B O10B Eu2B 96.7(4) . . ?
N5B O11B Eu2B 95.7(5) . . ?
N5B O12B Eu2B 95.3(4) . . ?
C8B N1B C9B 118.6(6) . . ?
C8B N1B Ni1B 126.7(5) . . ?
C9B N1B Ni1B 114.6(6) . . ?
C23B N2B C16B 123.5(8) . . ?
C23B N2B Ni1B 127.5(6) . . ?
C16B N2B Ni1B 109.0(6) . . ?
O9B N3B O10B 121.3(7) . . ?
O9B N3B O8B 123.6(6) . . ?
O10B N3B O8B 114.9(6) . . ?
O9B N3B Eu2B 176.1(6) . . ?
O10B N3B Eu2B 58.2(4) . . ?
O8B N3B Eu2B 56.7(3) . . ?
O7B N4B O6B 121.4(7) . . ?
O7B N4B O5B 124.3(8) . . ?
O6B N4B O5B 114.3(7) . . ?
O7B N4B Eu2B 176.6(5) . . ?
O6B N4B Eu2B 60.9(4) . . ?
O5B N4B Eu2B 53.5(4) . . ?
O11B N5B O13B 122.3(8) . . ?
O11B N5B O12B 118.0(6) . . ?
O13B N5B O12B 119.0(9) . . ?
O11B N5B Eu2B 59.3(4) . . ?
O13B N5B Eu2B 172.2(9) . . ?
O12B N5B Eu2B 58.7(4) . . ?
O1B C1B H1BA 109.5 . . ?
O1B C1B H1BB 109.5 . . ?
H1BA C1B H1BB 109.5 . . ?
O1B C1B H1BC 109.5 . . ?
H1BA C1B H1BC 109.5 . . ?
H1BB C1B H1BC 109.5 . . ?
C3B C2B C7B 122.4(6) . . ?
C3B C2B O1B 125.5(7) . . ?
C7B C2B O1B 111.8(6) . . ?
C2B C3B C4B 120.5(8) . . ?
C2B C3B H3B 119.8 . . ?
C4B C3B H3B 119.8 . . ?
C5B C4B C3B 118.3(8) . . ?
C5B C4B H4B 120.9 . . ?
C3B C4B H4B 120.9 . . ?
C6B C5B C4B 120.3(7) . . ?
C6B C5B H5B 119.8 . . ?
C4B C5B H5B 119.8 . . ?
C5B C6B C7B 120.0(7) . . ?
C5B C6B C8B 119.0(6) . . ?
C7B C6B C8B 120.9(7) . . ?
O2B C7B C2B 119.8(6) . . ?
O2B C7B C6B 122.2(7) . . ?
C2B C7B C6B 118.0(7) . . ?
N1B C8B C6B 124.6(6) . . ?
N1B C8B H8B 117.7 . . ?
C6B C8B H8B 117.7 . . ?
N1B C9B C10B 115.5(6) . . ?
N1B C9B C16B 100.6(6) . . ?
C10B C9B C16B 109.5(7) . . ?
N1B C9B H9B 110.3 . . ?
C10B C9B H9B 110.3 . . ?
C16B C9B H9B 110.3 . . ?
C11B C10B C15B 120.1(8) . . ?
C11B C10B C9B 118.1(8) . . ?
C15B C10B C9B 121.8(7) . . ?
C10B C11B C12B 118.6(9) . . ?
C10B C11B H11B 120.7 . . ?
C12B C11B H11B 120.7 . . ?
C13B C12B C11B 123.0(9) . . ?
C13B C12B H12B 118.5 . . ?
C11B C12B H12B 118.5 . . ?
C12B C13B C14B 121.5(9) . . ?
C12B C13B H13B 119.2 . . ?
C14B C13B H13B 119.2 . . ?
C13B C14B C15B 116.1(8) . . ?
C13B C14B H14B 121.9 . . ?
C15B C14B H14B 121.9 . . ?
C10B C15B C14B 120.4(9) . . ?
C10B C15B H15B 119.8 . . ?
C14B C15B H15B 119.8 . . ?
N2B C16B C9B 104.4(6) . . ?
N2B C16B C17B 114.0(6) . . ?
C9B C16B C17B 112.6(6) . . ?
N2B C16B H16B 108.5 . . ?
C9B C16B H16B 108.5 . . ?
C17B C16B H16B 108.5 . . ?
C22B C17B C18B 120.6(7) . . ?
C22B C17B C16B 123.0(7) . . ?
C18B C17B C16B 116.0(7) . . ?
C19B C18B C17B 115.1(10) . . ?
C19B C18B H18B 122.4 . . ?
C17B C18B H18B 122.4 . . ?
C20B C19B C18B 121.2(9) . . ?
C20B C19B H19B 119.4 . . ?
C18B C19B H19B 119.4 . . ?
C19B C20B C21B 126.3(9) . . ?
C19B C20B H20B 116.8 . . ?
C21B C20B H20B 116.8 . . ?
C22B C21B C20B 111.5(9) . . ?
C22B C21B H21B 124.2 . . ?
C20B C21B H21B 124.2 . . ?
C21B C22B C17B 123.5(9) . . ?
C21B C22B H22B 118.3 . . ?
C17B C22B H22B 118.3 . . ?
N2B C23B C24B 127.4(8) . . ?
N2B C23B H23B 116.3 . . ?
C24B C23B H23B 116.3 . . ?
C25B C24B C23B 122.9(7) . . ?
C25B C24B C29B 117.4(7) . . ?
C23B C24B C29B 119.4(7) . . ?
C24B C25B C26B 124.1(9) . . ?
C24B C25B H25B 117.9 . . ?
C26B C25B H25B 117.9 . . ?
C27B C26B C25B 117.1(9) . . ?
C27B C26B H26B 121.5 . . ?
C25B C26B H26B 121.5 . . ?
C26B C27B C28B 122.6(7) . . ?
C26B C27B H27B 118.7 . . ?
C28B C27B H27B 118.7 . . ?
O4B C28B C29B 114.0(7) . . ?
O4B C28B C27B 127.0(7) . . ?
C29B C28B C27B 119.0(8) . . ?
O3B C29B C28B 119.0(7) . . ?
O3B C29B C24B 121.2(6) . . ?
C28B C29B C24B 119.8(7) . . ?
O4B C30B H30D 109.5 . . ?
O4B C30B H30E 109.5 . . ?
H30D C30B H30E 109.5 . . ?
O4B C30B H30F 109.5 . . ?
H30D C30B H30F 109.5 . . ?
H30E C30B H30F 109.5 . . ?

_refine_diff_density_max         1.956
_refine_diff_density_min         -1.203
_refine_diff_density_rms         0.150



_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Methanol/diethylether'
_exptl_crystal_preparation       'Magnetic properties'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mo_I06VB53_0m_b
_database_code_depnum_ccdc_archive 'CCDC 1853429'
_audit_update_record             
;
2018-07-04 deposited with the CCDC.
2018-11-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2012
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C31 H30 Eu N5 O14 Zn, C H4 O'
_chemical_formula_sum            'C32 H34 Eu N5 O15 Zn'
_chemical_formula_weight         945.97

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'
Zn Zn 0.2839 1.4301 '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      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   9.2850(6)
_cell_length_b                   16.2386(11)
_cell_length_c                   23.4534(15)
_cell_angle_alpha                90
_cell_angle_beta                 95.284(2)
_cell_angle_gamma                90
_cell_volume                     3521.2(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9343
_cell_measurement_theta_min      2.62
_cell_measurement_theta_max      30.54

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.784
_exptl_crystal_F_000             1896
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.501
_exptl_crystal_size_mid          0.182
_exptl_crystal_size_min          0.096
_exptl_absorpt_coefficient_mu    2.526
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5953
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   microfocus
_diffrn_measurement_device_type  'D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            117630
_diffrn_reflns_av_unetI/netI     0.0268
_diffrn_reflns_av_R_equivalents  0.0308
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         2.148
_diffrn_reflns_theta_max         30.558
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             21475
_reflns_number_gt                20113
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.933
_reflns_Friedel_fraction_max     0.993
_reflns_Friedel_fraction_full    0.992

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences. These statistics refer to single and
 composite reflections containing twin component 1 only.
;

__computing_data_collection      'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'XT-2014 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0317P)²+3.6259P]
 where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
 Upon completion of the refinement, PLATON (spek, 1991) 
 was used to verify the correctness of the structure and a 
 new space group was suggested (  P21/c) 
 But the molecule was chiral and chiral molecules are 
 incompatible with an inversion centre
;
_refine_ls_abs_structure_Flack   0.017(9)
_chemical_absolute_configuration rm
_refine_ls_number_reflns         21475
_refine_ls_number_parameters     982
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0323
_refine_ls_R_factor_gt           0.0281
_refine_ls_wR_factor_ref         0.0712
_refine_ls_wR_factor_gt          0.0662
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_restrained_S_all      1.092
_refine_ls_shift/su_max          0.002
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1A Eu 0.31393(2) 0.51176(2) 0.20622(2) 0.02038(6) Uani 1 1 d . . . . .
Zn1A Zn 0.36026(5) 0.46186(4) 0.35206(2) 0.01672(11) Uani 1 1 d . . . . .
O1A O 0.5244(4) 0.6267(3) 0.22191(16) 0.0260(8) Uani 1 1 d . . . . .
O2A O 0.4619(3) 0.5178(3) 0.29231(14) 0.0229(7) Uani 1 1 d . . . . .
O3A O 0.2124(4) 0.4518(3) 0.28539(15) 0.0251(8) Uani 1 1 d . . . . .
O4A O 0.0421(3) 0.4688(2) 0.19461(15) 0.0230(8) Uani 1 1 d . . . . .
O5A O 0.2611(4) 0.4687(3) 0.10214(18) 0.0348(10) Uani 1 1 d . . . . .
O6A O 0.3967(6) 0.4934(4) 0.03391(17) 0.0464(12) Uani 1 1 d . . . . .
O7A O 0.4399(6) 0.5506(4) 0.1170(2) 0.0523(14) Uani 1 1 d . . . . .
O8A O 0.3207(5) 0.3591(4) 0.1984(3) 0.0532(15) Uani 1 1 d . . . . .
O9A O 0.5210(5) 0.4214(4) 0.1913(3) 0.0671(19) Uani 1 1 d . . . . .
O10A O 0.5131(6) 0.2867(4) 0.1922(2) 0.0491(14) Uani 1 1 d . . . . .
O11A O 0.1818(5) 0.6229(3) 0.15407(17) 0.0319(9) Uani 1 1 d . . . . .
O12A O 0.1998(4) 0.6366(3) 0.24577(17) 0.0286(8) Uani 1 1 d . . . . .
O13A O 0.0494(5) 0.7141(3) 0.1930(2) 0.0385(10) Uani 1 1 d . . . . .
O14A O 0.2935(5) 0.5572(3) 0.39718(18) 0.0320(9) Uani 1 1 d . . . . .
H14C H 0.2406 0.5512 0.4241 0.038 Uiso 1 1 calc R U . . .
N1A N 0.5528(4) 0.4130(3) 0.38548(16) 0.0174(7) Uani 1 1 d . . . . .
N2A N 0.2792(4) 0.3641(2) 0.39165(17) 0.0162(7) Uani 1 1 d . . . . .
N3A N 0.3675(5) 0.5032(4) 0.08337(18) 0.0320(10) Uani 1 1 d . . . . .
N4A N 0.4535(6) 0.3524(4) 0.1948(2) 0.0325(11) Uani 1 1 d . . . . .
N5A N 0.1402(5) 0.6604(3) 0.1977(2) 0.0288(10) Uani 1 1 d . . . . .
C1A C 0.5497(7) 0.6958(4) 0.1853(3) 0.0340(14) Uani 1 1 d . . . . .
H1AA H 0.6322 0.6837 0.1634 0.051 Uiso 1 1 calc R U . . .
H1AB H 0.5707 0.7450 0.2087 0.051 Uiso 1 1 calc R U . . .
H1AC H 0.4634 0.7055 0.1588 0.051 Uiso 1 1 calc R U . . .
C2A C 0.6402(5) 0.6019(3) 0.2600(2) 0.0224(10) Uani 1 1 d . . . . .
C3A C 0.7792(5) 0.6325(3) 0.2628(2) 0.0227(10) Uani 1 1 d . . . . .
H3A H 0.8032 0.6755 0.2380 0.027 Uiso 1 1 calc R U . . .
C4A C 0.8848(5) 0.5992(3) 0.3029(2) 0.0239(10) Uani 1 1 d . . . . .
H4A H 0.9812 0.6194 0.3053 0.029 Uiso 1 1 calc R U . . .
C5A C 0.8481(5) 0.5374(3) 0.3387(2) 0.0205(9) Uani 1 1 d . . . . .
H5A H 0.9208 0.5142 0.3650 0.025 Uiso 1 1 calc R U . . .
C6A C 0.7060(4) 0.5076(3) 0.33734(17) 0.0169(8) Uani 1 1 d . . . . .
C7A C 0.5998(5) 0.5408(3) 0.29793(19) 0.0189(9) Uani 1 1 d . . . . .
C8A C 0.6780(5) 0.4390(3) 0.3752(2) 0.0172(8) Uani 1 1 d . . . . .
H8A H 0.7596 0.4115 0.3937 0.021 Uiso 1 1 calc R U . . .
C9A C 0.5339(4) 0.3361(2) 0.41828(17) 0.0150(7) Uani 1 1 d . . . . .
H9A H 0.5321 0.2895 0.3903 0.018 Uiso 1 1 calc R U . . .
C10A C 0.6552(5) 0.3187(3) 0.4642(2) 0.0195(9) Uani 1 1 d . . . . .
C11A C 0.7556(6) 0.2580(3) 0.4555(2) 0.0241(10) Uani 1 1 d . . . . .
H11A H 0.7437 0.2255 0.4217 0.029 Uiso 1 1 calc R U . . .
C12A C 0.8735(6) 0.2436(4) 0.4953(3) 0.0321(12) Uani 1 1 d . . . . .
H12A H 0.9424 0.2024 0.4885 0.039 Uiso 1 1 calc R U . . .
C13A C 0.8891(6) 0.2899(4) 0.5448(3) 0.0353(13) Uani 1 1 d . . . . .
H13A H 0.9695 0.2807 0.5721 0.042 Uiso 1 1 calc R U . . .
C14A C 0.7893(6) 0.3492(4) 0.5548(2) 0.0315(12) Uani 1 1 d . . . . .
H14A H 0.8002 0.3801 0.5893 0.038 Uiso 1 1 calc R U . . .
C15A C 0.6711(5) 0.3646(4) 0.5143(2) 0.0260(10) Uani 1 1 d . . . . .
H15A H 0.6026 0.4061 0.5212 0.031 Uiso 1 1 calc R U . . .
C16A C 0.3813(4) 0.3396(2) 0.44114(17) 0.0153(7) Uani 1 1 d . . . . .
H16A H 0.3831 0.3851 0.4700 0.018 Uiso 1 1 calc R U . . .
C17A C 0.3430(4) 0.2615(3) 0.4707(2) 0.0170(8) Uani 1 1 d . . . . .
C18A C 0.3444(5) 0.1849(4) 0.4434(2) 0.0228(10) Uani 1 1 d . . . . .
H18A H 0.3716 0.1814 0.4054 0.027 Uiso 1 1 calc R U . . .
C19A C 0.3062(5) 0.1141(3) 0.4715(2) 0.0259(10) Uani 1 1 d . . . . .
H19A H 0.3091 0.0623 0.4528 0.031 Uiso 1 1 calc R U . . .
C20A C 0.2641(5) 0.1182(3) 0.5263(2) 0.0318(12) Uani 1 1 d . . . . .
H20A H 0.2362 0.0695 0.5449 0.038 Uiso 1 1 calc R U . . .
C21A C 0.2624(6) 0.1931(4) 0.5542(2) 0.0297(11) Uani 1 1 d . . . . .
H21A H 0.2341 0.1959 0.5921 0.036 Uiso 1 1 calc R U . . .
C22A C 0.3024(5) 0.2646(3) 0.5266(2) 0.0221(9) Uani 1 1 d . . . . .
H22A H 0.3020 0.3160 0.5460 0.026 Uiso 1 1 calc R U . . .
C23A C 0.1607(5) 0.3270(3) 0.3759(2) 0.0185(9) Uani 1 1 d . . . . .
H23A H 0.1343 0.2819 0.3986 0.022 Uiso 1 1 calc R U . . .
C24A C 0.0625(4) 0.3484(3) 0.3258(2) 0.0179(9) Uani 1 1 d . . . . .
C25A C -0.0689(5) 0.3047(3) 0.3185(2) 0.0205(10) Uani 1 1 d . . . . .
H25A H -0.0899 0.2652 0.3464 0.025 Uiso 1 1 calc R U . . .
C26A C -0.1672(5) 0.3178(3) 0.2721(2) 0.0216(10) Uani 1 1 d . . . . .
H26A H -0.2568 0.2892 0.2690 0.026 Uiso 1 1 calc R U . . .
C27A C -0.1355(5) 0.3735(3) 0.2295(2) 0.0213(10) Uani 1 1 d . . . . .
H27A H -0.2030 0.3833 0.1972 0.026 Uiso 1 1 calc R U . . .
C28A C -0.0045(5) 0.4136(3) 0.2352(2) 0.0200(9) Uani 1 1 d . . . . .
C29A C 0.0949(5) 0.4059(3) 0.2835(2) 0.0190(9) Uani 1 1 d . . . . .
C30A C -0.0563(6) 0.4816(4) 0.1446(2) 0.0333(13) Uani 1 1 d . . . . .
H30A H -0.0180 0.5244 0.1207 0.050 Uiso 1 1 calc R U . . .
H30B H -0.1504 0.4990 0.1561 0.050 Uiso 1 1 calc R U . . .
H30C H -0.0677 0.4302 0.1228 0.050 Uiso 1 1 calc R U . . .
C31A C 0.3508(8) 0.6377(4) 0.3988(3) 0.0473(19) Uani 1 1 d . . . . .
H31A H 0.4133 0.6446 0.3677 0.071 Uiso 1 1 calc R U . . .
H31B H 0.4073 0.6467 0.4357 0.071 Uiso 1 1 calc R U . . .
H31C H 0.2715 0.6777 0.3943 0.071 Uiso 1 1 calc R U . . .
Eu1B Eu 0.32959(2) 0.49560(2) 0.70257(2) 0.02045(6) Uani 1 1 d . . . . .
Zn1B Zn 0.37427(5) 0.54357(4) 0.84954(2) 0.01701(11) Uani 1 1 d . . . . .
O1B O 0.0573(3) 0.5372(3) 0.69190(15) 0.0239(8) Uani 1 1 d . . . . .
O2B O 0.2271(3) 0.5526(3) 0.78260(15) 0.0242(8) Uani 1 1 d . . . . .
O3B O 0.4778(3) 0.4905(3) 0.78889(14) 0.0235(7) Uani 1 1 d . . . . .
O4B O 0.5399(4) 0.3859(3) 0.71491(16) 0.0253(8) Uani 1 1 d . . . . .
O5B O 0.4501(4) 0.4573(3) 0.61124(16) 0.0358(10) Uani 1 1 d . . . . .
O6B O 0.3928(4) 0.5122(3) 0.52754(14) 0.0323(8) Uani 1 1 d . . . . .
O7B O 0.2712(4) 0.5431(3) 0.59937(17) 0.0270(8) Uani 1 1 d . . . . .
O8B O 0.5378(4) 0.5832(3) 0.68559(18) 0.0316(9) Uani 1 1 d . . . . .
O9B O 0.3414(4) 0.6472(3) 0.6983(2) 0.0376(11) Uani 1 1 d . . . . .
O10B O 0.5397(5) 0.7182(3) 0.69002(19) 0.0322(9) Uani 1 1 d . . . . .
O11B O 0.1979(5) 0.3845(3) 0.64847(16) 0.0306(9) Uani 1 1 d . . . . .
O12B O 0.2167(4) 0.3692(3) 0.74034(16) 0.0276(8) Uani 1 1 d . . . . .
O13B O 0.0633(5) 0.2932(3) 0.6865(2) 0.0352(9) Uani 1 1 d . . . . .
O14B O 0.2957(5) 0.4515(3) 0.89484(19) 0.0335(10) Uani 1 1 d . . . . .
H14D H 0.2302 0.4554 0.9171 0.040 Uiso 1 1 calc R U . . .
N1B N 0.3098(4) 0.6508(3) 0.88258(17) 0.0189(8) Uani 1 1 d . . . . .
N2B N 0.5670(4) 0.5760(3) 0.89270(17) 0.0210(8) Uani 1 1 d . . . . .
N3B N 0.3740(4) 0.5048(4) 0.57826(16) 0.0237(8) Uani 1 1 d . . . . .
N4B N 0.1563(5) 0.3466(3) 0.6919(2) 0.0254(9) Uani 1 1 d . . . . .
N5B N 0.4754(5) 0.6525(3) 0.69251(19) 0.0242(9) Uani 1 1 d . . . . .
C1B C -0.0409(5) 0.5246(4) 0.6420(2) 0.0300(12) Uani 1 1 d . . . . .
H1D H -0.0612 0.5774 0.6227 0.045 Uiso 1 1 calc R U . . .
H1E H -0.1312 0.5009 0.6532 0.045 Uiso 1 1 calc R U . . .
H1F H 0.0025 0.4867 0.6159 0.045 Uiso 1 1 calc R U . . .
C2B C 0.0085(5) 0.5904(3) 0.7322(2) 0.0196(9) Uani 1 1 d . . . . .
C3B C -0.1201(5) 0.6315(3) 0.7277(2) 0.0218(10) Uani 1 1 d . . . . .
H3B H -0.1882 0.6228 0.6955 0.026 Uiso 1 1 calc R U . . .
C4B C -0.1518(5) 0.6870(3) 0.7709(2) 0.0235(10) Uani 1 1 d . . . . .
H4B H -0.2428 0.7140 0.7687 0.028 Uiso 1 1 calc R U . . .
C5B C -0.0519(5) 0.7017(3) 0.8160(2) 0.0196(9) Uani 1 1 d . . . . .
H5B H -0.0719 0.7418 0.8437 0.024 Uiso 1 1 calc R U . . .
C6B C 0.0815(4) 0.6587(3) 0.8225(2) 0.0173(9) Uani 1 1 d . . . . .
C7B C 0.1105(5) 0.5996(3) 0.7810(2) 0.0188(9) Uani 1 1 d . . . . .
C8B C 0.1892(5) 0.6863(3) 0.8675(2) 0.0197(9) Uani 1 1 d . . . . .
H8B H 0.1680 0.7351 0.8875 0.024 Uiso 1 1 calc R U . . .
C9B C 0.4283(5) 0.6941(3) 0.91872(18) 0.0210(8) Uani 1 1 d . . . . .
H9B H 0.4786 0.7308 0.8926 0.025 Uiso 1 1 calc R U . . .
C10B C 0.3730(5) 0.7486(3) 0.9645(2) 0.0220(9) Uani 1 1 d . . . . .
C11B C 0.3606(7) 0.8318(4) 0.9526(3) 0.0398(15) Uani 1 1 d . . . . .
H11B H 0.3893 0.8532 0.9177 0.048 Uiso 1 1 calc R U . . .
C12B C 0.3045(9) 0.8851(4) 0.9932(4) 0.061(2) Uani 1 1 d . . . . .
H12B H 0.2975 0.9426 0.9861 0.074 Uiso 1 1 calc R U . . .
C13B C 0.2605(8) 0.8532(5) 1.0427(3) 0.056(2) Uani 1 1 d . . . . .
H13B H 0.2192 0.8883 1.0692 0.067 Uiso 1 1 calc R U . . .
C14B C 0.2759(6) 0.7702(5) 1.0545(3) 0.0389(14) Uani 1 1 d . . . . .
H14B H 0.2494 0.7486 1.0897 0.047 Uiso 1 1 calc R U . . .
C15B C 0.3298(5) 0.7188(4) 1.0148(2) 0.0305(11) Uani 1 1 d . . . . .
H15B H 0.3372 0.6615 1.0225 0.037 Uiso 1 1 calc R U . . .
C16B C 0.5390(5) 0.6290(3) 0.94209(19) 0.0222(8) Uani 1 1 d . . . . .
H16B H 0.4918 0.5941 0.9702 0.027 Uiso 1 1 calc R U . . .
C17B C 0.6691(5) 0.6694(3) 0.9735(2) 0.0257(11) Uani 1 1 d . . . . .
C18B C 0.7495(7) 0.7297(4) 0.9487(3) 0.0384(15) Uani 1 1 d . . . . .
H18B H 0.7242 0.7463 0.9102 0.046 Uiso 1 1 calc R U . . .
C19B C 0.8669(7) 0.7655(5) 0.9805(4) 0.0501(19) Uani 1 1 d . . . . .
H19B H 0.9225 0.8063 0.9635 0.060 Uiso 1 1 calc R U . . .
C20B C 0.9034(7) 0.7421(5) 1.0366(4) 0.055(2) Uani 1 1 d . . . . .
H20B H 0.9832 0.7673 1.0581 0.066 Uiso 1 1 calc R U . . .
C21B C 0.8254(7) 0.6831(5) 1.0613(3) 0.0452(17) Uani 1 1 d . . . . .
H21B H 0.8508 0.6674 1.0999 0.054 Uiso 1 1 calc R U . . .
C22B C 0.7078(6) 0.6454(4) 1.0298(3) 0.0310(12) Uani 1 1 d . . . . .
H22B H 0.6545 0.6035 1.0469 0.037 Uiso 1 1 calc R U . . .
C23B C 0.6935(5) 0.5538(3) 0.8809(2) 0.0228(10) Uani 1 1 d . . . . .
H23B H 0.7744 0.5763 0.9033 0.027 Uiso 1 1 calc R U . . .
C24B C 0.7218(4) 0.4964(4) 0.83541(19) 0.0196(8) Uani 1 1 d . . . . .
C25B C 0.8651(5) 0.4669(3) 0.8350(2) 0.0228(10) Uani 1 1 d . . . . .
H25B H 0.9387 0.4878 0.8619 0.027 Uiso 1 1 calc R U . . .
C26B C 0.8993(5) 0.4081(4) 0.7958(2) 0.0260(11) Uani 1 1 d . . . . .
H26B H 0.9955 0.3878 0.7967 0.031 Uiso 1 1 calc R U . . .
C27B C 0.7929(6) 0.3782(4) 0.7547(2) 0.0264(11) Uani 1 1 d . . . . .
H27B H 0.8165 0.3378 0.7278 0.032 Uiso 1 1 calc R U . . .
C28B C 0.6543(5) 0.4078(3) 0.7538(2) 0.0218(10) Uani 1 1 d . . . . .
C29B C 0.6151(5) 0.4665(3) 0.7940(2) 0.0188(9) Uani 1 1 d . . . . .
C30B C 0.5582(7) 0.3140(4) 0.6813(3) 0.0289(12) Uani 1 1 d . . . . .
H30D H 0.4643 0.2970 0.6625 0.043 Uiso 1 1 calc R U . . .
H30E H 0.5982 0.2695 0.7062 0.043 Uiso 1 1 calc R U . . .
H30F H 0.6246 0.3262 0.6523 0.043 Uiso 1 1 calc R U . . .
C31B C 0.3494(11) 0.3710(5) 0.8962(5) 0.077(4) Uani 1 1 d . . . . .
H31D H 0.2825 0.3353 0.8728 0.115 Uiso 1 1 calc R U . . .
H31E H 0.3593 0.3510 0.9358 0.115 Uiso 1 1 calc R U . . .
H31F H 0.4442 0.3703 0.8809 0.115 Uiso 1 1 calc R U . . .
O1W O 0.1064(4) 0.5411(3) 0.47631(18) 0.0316(9) Uani 1 1 d . . . . .
H1OW H 0.1606 0.5569 0.5049 0.038 Uiso 1 1 calc R U . . .
C1W C 0.0424(6) 0.4647(4) 0.4889(3) 0.0291(12) Uani 1 1 d . . . . .
H1WA H 0.0052 0.4378 0.4531 0.044 Uiso 1 1 calc R U . . .
H1WB H -0.0373 0.4742 0.5127 0.044 Uiso 1 1 calc R U . . .
H1WC H 0.1151 0.4293 0.5095 0.044 Uiso 1 1 calc R U . . .
O2W O 0.1136(5) 0.4687(3) 0.9754(2) 0.0441(12) Uani 1 1 d . . . . .
H2OW H 0.1709 0.4553 1.0036 0.053 Uiso 1 1 calc R U . . .
C2W C 0.0462(7) 0.5443(5) 0.9869(3) 0.0427(16) Uani 1 1 d . . . . .
H2WA H 0.0402 0.5790 0.9526 0.064 Uiso 1 1 calc R U . . .
H2WB H 0.1033 0.5727 1.0183 0.064 Uiso 1 1 calc R U . . .
H2WC H -0.0513 0.5337 0.9980 0.064 Uiso 1 1 calc R U . . .


_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
Eu1A O2A 2.337(3) . ?
Eu1A O3A 2.368(3) . ?
Eu1A O11A 2.446(4) . ?
Eu1A O9A 2.469(5) . ?
Eu1A O8A 2.487(6) . ?
Eu1A O12A 2.505(4) . ?
Eu1A O5A 2.543(4) . ?
Eu1A O7A 2.568(4) . ?
Eu1A O4A 2.608(3) . ?
Eu1A O1A 2.703(4) . ?
Eu1A N5A 2.899(5) . ?
Eu1A N4A 2.918(5) . ?
Zn1A O2A 1.981(3) . ?
Zn1A O3A 1.991(4) . ?
Zn1A O14A 2.006(4) . ?
Zn1A N2A 2.020(4) . ?
Zn1A N1A 2.045(4) . ?
O1A C2A 1.393(7) . ?
O1A C1A 1.445(7) . ?
O2A C7A 1.329(5) . ?
O3A C29A 1.318(5) . ?
O4A C28A 1.405(6) . ?
O4A C30A 1.435(6) . ?
O5A N3A 1.251(6) . ?
O6A N3A 1.226(6) . ?
O7A N3A 1.253(7) . ?
O8A N4A 1.248(7) . ?
O9A N4A 1.291(8) . ?
O10A N4A 1.206(7) . ?
O11A N5A 1.280(6) . ?
O12A N5A 1.270(7) . ?
O13A N5A 1.211(7) . ?
O14A C31A 1.410(7) . ?
O14A H14C 0.8400 . ?
N1A C8A 1.281(5) . ?
N1A C9A 1.485(5) . ?
N2A C23A 1.278(6) . ?
N2A C16A 1.484(6) . ?
C1A H1AA 0.9800 . ?
C1A H1AB 0.9800 . ?
C1A H1AC 0.9800 . ?
C2A C3A 1.379(6) . ?
C2A C7A 1.407(6) . ?
C3A C4A 1.402(8) . ?
C3A H3A 0.9500 . ?
C4A C5A 1.370(7) . ?
C4A H4A 0.9500 . ?
C5A C6A 1.403(6) . ?
C5A H5A 0.9500 . ?
C6A C7A 1.396(7) . ?
C6A C8A 1.462(7) . ?
C8A H8A 0.9500 . ?
C9A C10A 1.512(6) . ?
C9A C16A 1.561(5) . ?
C9A H9A 1.0000 . ?
C10A C11A 1.385(7) . ?
C10A C15A 1.387(7) . ?
C11A C12A 1.391(8) . ?
C11A H11A 0.9500 . ?
C12A C13A 1.379(9) . ?
C12A H12A 0.9500 . ?
C13A C14A 1.371(9) . ?
C13A H13A 0.9500 . ?
C14A C15A 1.406(7) . ?
C14A H14A 0.9500 . ?
C15A H15A 0.9500 . ?
C16A C17A 1.504(6) . ?
C16A H16A 1.0000 . ?
C17A C22A 1.397(6) . ?
C17A C18A 1.401(7) . ?
C18A C19A 1.388(7) . ?
C18A H18A 0.9500 . ?
C19A C20A 1.380(8) . ?
C19A H19A 0.9500 . ?
C20A C21A 1.381(8) . ?
C20A H20A 0.9500 . ?
C21A C22A 1.397(7) . ?
C21A H21A 0.9500 . ?
C22A H22A 0.9500 . ?
C23A C24A 1.462(7) . ?
C23A H23A 0.9500 . ?
C24A C25A 1.408(6) . ?
C24A C29A 1.415(7) . ?
C25A C26A 1.371(7) . ?
C25A H25A 0.9500 . ?
C26A C27A 1.400(7) . ?
C26A H26A 0.9500 . ?
C27A C28A 1.375(6) . ?
C27A H27A 0.9500 . ?
C28A C29A 1.399(7) . ?
C30A H30A 0.9800 . ?
C30A H30B 0.9800 . ?
C30A H30C 0.9800 . ?
C31A H31A 0.9800 . ?
C31A H31B 0.9800 . ?
C31A H31C 0.9800 . ?
Eu1B O3B 2.342(3) . ?
Eu1B O2B 2.369(3) . ?
Eu1B O8B 2.462(4) . ?
Eu1B O11B 2.465(4) . ?
Eu1B O9B 2.467(5) . ?
Eu1B O12B 2.503(4) . ?
Eu1B O7B 2.551(4) . ?
Eu1B O5B 2.583(4) . ?
Eu1B O1B 2.606(3) . ?
Eu1B O4B 2.640(4) . ?
Eu1B N4B 2.903(5) . ?
Eu1B N5B 2.905(5) . ?
Zn1B O3B 1.986(3) . ?
Zn1B O2B 1.990(4) . ?
Zn1B O14B 2.010(4) . ?
Zn1B N1B 2.019(4) . ?
Zn1B N2B 2.042(4) . ?
O1B C2B 1.388(6) . ?
O1B C1B 1.431(6) . ?
O2B C7B 1.323(5) . ?
O3B C29B 1.328(5) . ?
O4B C28B 1.381(6) . ?
O4B C30B 1.427(7) . ?
O5B N3B 1.262(6) . ?
O6B N3B 1.224(5) . ?
O7B N3B 1.276(5) . ?
O8B N5B 1.282(6) . ?
O9B N5B 1.268(6) . ?
O10B N5B 1.226(6) . ?
O11B N4B 1.279(6) . ?
O12B N4B 1.275(6) . ?
O13B N4B 1.222(6) . ?
O14B C31B 1.398(9) . ?
O14B H14D 0.8400 . ?
N1B C8B 1.280(6) . ?
N1B C9B 1.501(6) . ?
N2B C23B 1.283(6) . ?
N2B C16B 1.485(6) . ?
C1B H1D 0.9800 . ?
C1B H1E 0.9800 . ?
C1B H1F 0.9800 . ?
C2B C3B 1.363(6) . ?
C2B C7B 1.425(7) . ?
C3B C4B 1.407(7) . ?
C3B H3B 0.9500 . ?
C4B C5B 1.361(8) . ?
C4B H4B 0.9500 . ?
C5B C6B 1.419(6) . ?
C5B H5B 0.9500 . ?
C6B C7B 1.409(6) . ?
C6B C8B 1.457(7) . ?
C8B H8B 0.9500 . ?
C9B C10B 1.517(6) . ?
C9B C16B 1.540(6) . ?
C9B H9B 1.0000 . ?
C10B C15B 1.368(7) . ?
C10B C11B 1.384(8) . ?
C11B C12B 1.421(9) . ?
C11B H11B 0.9500 . ?
C12B C13B 1.367(12) . ?
C12B H12B 0.9500 . ?
C13B C14B 1.380(11) . ?
C13B H13B 0.9500 . ?
C14B C15B 1.378(8) . ?
C14B H14B 0.9500 . ?
C15B H15B 0.9500 . ?
C16B C17B 1.506(6) . ?
C16B H16B 1.0000 . ?
C17B C18B 1.390(9) . ?
C17B C22B 1.392(8) . ?
C18B C19B 1.391(9) . ?
C18B H18B 0.9500 . ?
C19B C20B 1.383(12) . ?
C19B H19B 0.9500 . ?
C20B C21B 1.362(11) . ?
C20B H20B 0.9500 . ?
C21B C22B 1.401(8) . ?
C21B H21B 0.9500 . ?
C22B H22B 0.9500 . ?
C23B C24B 1.458(7) . ?
C23B H23B 0.9500 . ?
C24B C29B 1.407(7) . ?
C24B C25B 1.415(6) . ?
C25B C26B 1.383(7) . ?
C25B H25B 0.9500 . ?
C26B C27B 1.402(8) . ?
C26B H26B 0.9500 . ?
C27B C28B 1.372(7) . ?
C27B H27B 0.9500 . ?
C28B C29B 1.413(7) . ?
C30B H30D 0.9800 . ?
C30B H30E 0.9800 . ?
C30B H30F 0.9800 . ?
C31B H31D 0.9800 . ?
C31B H31E 0.9800 . ?
C31B H31F 0.9800 . ?
O1W C1W 1.419(7) . ?
O1W H1OW 0.8400 . ?
C1W H1WA 0.9800 . ?
C1W H1WB 0.9800 . ?
C1W H1WC 0.9800 . ?
O2W C2W 1.415(9) . ?
O2W H2OW 0.8400 . ?
C2W H2WA 0.9800 . ?
C2W H2WB 0.9800 . ?
C2W H2WC 0.9800 . ?

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
O2A Eu1A O3A 65.47(11) . . ?
O2A Eu1A O11A 128.96(15) . . ?
O3A Eu1A O11A 118.56(14) . . ?
O2A Eu1A O9A 75.18(18) . . ?
O3A Eu1A O9A 103.8(2) . . ?
O11A Eu1A O9A 136.8(2) . . ?
O2A Eu1A O8A 95.09(18) . . ?
O3A Eu1A O8A 70.28(17) . . ?
O11A Eu1A O8A 135.53(18) . . ?
O9A Eu1A O8A 51.09(17) . . ?
O2A Eu1A O12A 83.18(14) . . ?
O3A Eu1A O12A 80.20(14) . . ?
O11A Eu1A O12A 51.55(13) . . ?
O9A Eu1A O12A 153.52(15) . . ?
O8A Eu1A O12A 148.04(14) . . ?
O2A Eu1A O5A 152.47(13) . . ?
O3A Eu1A O5A 125.71(14) . . ?
O11A Eu1A O5A 71.31(14) . . ?
O9A Eu1A O5A 77.54(18) . . ?
O8A Eu1A O5A 70.05(18) . . ?
O12A Eu1A O5A 121.82(14) . . ?
O2A Eu1A O7A 114.70(14) . . ?
O3A Eu1A O7A 169.75(18) . . ?
O11A Eu1A O7A 69.89(17) . . ?
O9A Eu1A O7A 67.1(2) . . ?
O8A Eu1A O7A 99.69(19) . . ?
O12A Eu1A O7A 110.05(17) . . ?
O5A Eu1A O7A 49.29(15) . . ?
O2A Eu1A O4A 125.98(10) . . ?
O3A Eu1A O4A 61.35(11) . . ?
O11A Eu1A O4A 73.08(13) . . ?
O9A Eu1A O4A 125.81(15) . . ?
O8A Eu1A O4A 75.93(14) . . ?
O12A Eu1A O4A 79.42(12) . . ?
O5A Eu1A O4A 74.15(12) . . ?
O7A Eu1A O4A 119.31(14) . . ?
O2A Eu1A O1A 59.56(12) . . ?
O3A Eu1A O1A 120.83(12) . . ?
O11A Eu1A O1A 83.19(14) . . ?
O9A Eu1A O1A 82.36(15) . . ?
O8A Eu1A O1A 132.49(14) . . ?
O12A Eu1A O1A 73.50(12) . . ?
O5A Eu1A O1A 113.20(13) . . ?
O7A Eu1A O1A 64.11(14) . . ?
O4A Eu1A O1A 151.54(13) . . ?
O2A Eu1A N5A 107.68(14) . . ?
O3A Eu1A N5A 97.90(14) . . ?
O11A Eu1A N5A 25.98(13) . . ?
O9A Eu1A N5A 156.97(19) . . ?
O8A Eu1A N5A 147.39(14) . . ?
O12A Eu1A N5A 25.88(14) . . ?
O5A Eu1A N5A 96.08(15) . . ?
O7A Eu1A N5A 91.79(17) . . ?
O4A Eu1A N5A 71.85(13) . . ?
O1A Eu1A N5A 79.93(12) . . ?
O2A Eu1A N4A 83.45(14) . . ?
O3A Eu1A N4A 85.38(15) . . ?
O11A Eu1A N4A 144.61(13) . . ?
O9A Eu1A N4A 26.06(17) . . ?
O8A Eu1A N4A 25.12(15) . . ?
O12A Eu1A N4A 163.43(13) . . ?
O5A Eu1A N4A 73.49(14) . . ?
O7A Eu1A N4A 84.48(18) . . ?
O4A Eu1A N4A 100.79(14) . . ?
O1A Eu1A N4A 107.66(14) . . ?
N5A Eu1A N4A 168.80(14) . . ?
O2A Zn1A O3A 79.70(13) . . ?
O2A Zn1A O14A 102.09(16) . . ?
O3A Zn1A O14A 104.69(18) . . ?
O2A Zn1A N2A 155.23(16) . . ?
O3A Zn1A N2A 92.12(15) . . ?
O14A Zn1A N2A 102.60(15) . . ?
O2A Zn1A N1A 89.57(14) . . ?
O3A Zn1A N1A 141.69(17) . . ?
O14A Zn1A N1A 113.52(18) . . ?
N2A Zn1A N1A 82.44(15) . . ?
O2A Zn1A Eu1A 39.35(9) . . ?
O3A Zn1A Eu1A 40.38(9) . . ?
O14A Zn1A Eu1A 108.69(13) . . ?
N2A Zn1A Eu1A 127.83(12) . . ?
N1A Zn1A Eu1A 119.24(10) . . ?
C2A O1A C1A 116.5(4) . . ?
C2A O1A Eu1A 113.2(3) . . ?
C1A O1A Eu1A 127.6(4) . . ?
C7A O2A Zn1A 125.2(3) . . ?
C7A O2A Eu1A 125.6(3) . . ?
Zn1A O2A Eu1A 108.15(13) . . ?
C29A O3A Zn1A 125.6(3) . . ?
C29A O3A Eu1A 126.4(3) . . ?
Zn1A O3A Eu1A 106.63(13) . . ?
C28A O4A C30A 115.7(4) . . ?
C28A O4A Eu1A 117.1(3) . . ?
C30A O4A Eu1A 125.8(3) . . ?
N3A O5A Eu1A 97.2(3) . . ?
N3A O7A Eu1A 96.0(3) . . ?
N4A O8A Eu1A 97.1(4) . . ?
N4A O9A Eu1A 96.8(3) . . ?
N5A O11A Eu1A 97.2(3) . . ?
N5A O12A Eu1A 94.7(3) . . ?
C31A O14A Zn1A 126.6(3) . . ?
C31A O14A H14C 109.5 . . ?
Zn1A O14A H14C 122.4 . . ?
C8A N1A C9A 121.8(4) . . ?
C8A N1A Zn1A 125.2(3) . . ?
C9A N1A Zn1A 112.6(2) . . ?
C23A N2A C16A 124.8(4) . . ?
C23A N2A Zn1A 125.8(3) . . ?
C16A N2A Zn1A 109.4(3) . . ?
O6A N3A O5A 121.7(6) . . ?
O6A N3A O7A 121.6(5) . . ?
O5A N3A O7A 116.7(4) . . ?
O6A N3A Eu1A 174.2(5) . . ?
O5A N3A Eu1A 58.1(3) . . ?
O7A N3A Eu1A 59.2(3) . . ?
O10A N4A O8A 122.7(7) . . ?
O10A N4A O9A 122.5(6) . . ?
O8A N4A O9A 114.6(5) . . ?
O10A N4A Eu1A 177.6(4) . . ?
O8A N4A Eu1A 57.8(4) . . ?
O9A N4A Eu1A 57.2(3) . . ?
O13A N5A O12A 122.9(5) . . ?
O13A N5A O11A 121.9(5) . . ?
O12A N5A O11A 115.2(5) . . ?
O13A N5A Eu1A 169.7(4) . . ?
O12A N5A Eu1A 59.4(3) . . ?
O11A N5A Eu1A 56.8(3) . . ?
O1A C1A H1AA 109.5 . . ?
O1A C1A H1AB 109.5 . . ?
H1AA C1A H1AB 109.5 . . ?
O1A C1A H1AC 109.5 . . ?
H1AA C1A H1AC 109.5 . . ?
H1AB C1A H1AC 109.5 . . ?
C3A C2A O1A 126.3(5) . . ?
C3A C2A C7A 121.7(5) . . ?
O1A C2A C7A 112.0(4) . . ?
C2A C3A C4A 119.1(5) . . ?
C2A C3A H3A 120.4 . . ?
C4A C3A H3A 120.4 . . ?
C5A C4A C3A 119.7(4) . . ?
C5A C4A H4A 120.2 . . ?
C3A C4A H4A 120.2 . . ?
C4A C5A C6A 121.7(5) . . ?
C4A C5A H5A 119.2 . . ?
C6A C5A H5A 119.2 . . ?
C7A C6A C5A 119.1(4) . . ?
C7A C6A C8A 122.8(4) . . ?
C5A C6A C8A 117.9(4) . . ?
O2A C7A C6A 124.9(4) . . ?
O2A C7A C2A 116.5(4) . . ?
C6A C7A C2A 118.6(4) . . ?
N1A C8A C6A 125.5(4) . . ?
N1A C8A H8A 117.3 . . ?
C6A C8A H8A 117.3 . . ?
N1A C9A C10A 114.2(3) . . ?
N1A C9A C16A 107.6(3) . . ?
C10A C9A C16A 113.7(3) . . ?
N1A C9A H9A 107.0 . . ?
C10A C9A H9A 107.0 . . ?
C16A C9A H9A 107.0 . . ?
C11A C10A C15A 119.1(5) . . ?
C11A C10A C9A 119.7(4) . . ?
C15A C10A C9A 121.1(4) . . ?
C10A C11A C12A 121.3(5) . . ?
C10A C11A H11A 119.4 . . ?
C12A C11A H11A 119.4 . . ?
C13A C12A C11A 119.3(5) . . ?
C13A C12A H12A 120.4 . . ?
C11A C12A H12A 120.4 . . ?
C14A C13A C12A 120.4(5) . . ?
C14A C13A H13A 119.8 . . ?
C12A C13A H13A 119.8 . . ?
C13A C14A C15A 120.5(5) . . ?
C13A C14A H14A 119.8 . . ?
C15A C14A H14A 119.8 . . ?
C10A C15A C14A 119.4(5) . . ?
C10A C15A H15A 120.3 . . ?
C14A C15A H15A 120.3 . . ?
N2A C16A C17A 115.2(3) . . ?
N2A C16A C9A 106.0(3) . . ?
C17A C16A C9A 112.9(3) . . ?
N2A C16A H16A 107.5 . . ?
C17A C16A H16A 107.5 . . ?
C9A C16A H16A 107.5 . . ?
C22A C17A C18A 118.5(4) . . ?
C22A C17A C16A 119.9(4) . . ?
C18A C17A C16A 121.6(4) . . ?
C19A C18A C17A 120.3(5) . . ?
C19A C18A H18A 119.9 . . ?
C17A C18A H18A 119.9 . . ?
C20A C19A C18A 120.6(5) . . ?
C20A C19A H19A 119.7 . . ?
C18A C19A H19A 119.7 . . ?
C19A C20A C21A 120.0(5) . . ?
C19A C20A H20A 120.0 . . ?
C21A C20A H20A 120.0 . . ?
C20A C21A C22A 119.8(5) . . ?
C20A C21A H21A 120.1 . . ?
C22A C21A H21A 120.1 . . ?
C17A C22A C21A 120.7(5) . . ?
C17A C22A H22A 119.6 . . ?
C21A C22A H22A 119.6 . . ?
N2A C23A C24A 125.2(4) . . ?
N2A C23A H23A 117.4 . . ?
C24A C23A H23A 117.4 . . ?
C25A C24A C29A 119.0(5) . . ?
C25A C24A C23A 116.5(4) . . ?
C29A C24A C23A 124.4(4) . . ?
C26A C25A C24A 121.6(5) . . ?
C26A C25A H25A 119.2 . . ?
C24A C25A H25A 119.2 . . ?
C25A C26A C27A 120.0(4) . . ?
C25A C26A H26A 120.0 . . ?
C27A C26A H26A 120.0 . . ?
C28A C27A C26A 118.6(5) . . ?
C28A C27A H27A 120.7 . . ?
C26A C27A H27A 120.7 . . ?
C27A C28A C29A 123.2(5) . . ?
C27A C28A O4A 124.1(5) . . ?
C29A C28A O4A 112.6(4) . . ?
O3A C29A C28A 117.3(4) . . ?
O3A C29A C24A 125.3(5) . . ?
C28A C29A C24A 117.4(4) . . ?
O4A C30A H30A 109.5 . . ?
O4A C30A H30B 109.5 . . ?
H30A C30A H30B 109.5 . . ?
O4A C30A H30C 109.5 . . ?
H30A C30A H30C 109.5 . . ?
H30B C30A H30C 109.5 . . ?
O14A C31A H31A 109.5 . . ?
O14A C31A H31B 109.5 . . ?
H31A C31A H31B 109.5 . . ?
O14A C31A H31C 109.5 . . ?
H31A C31A H31C 109.5 . . ?
H31B C31A H31C 109.5 . . ?
O3B Eu1B O2B 64.91(11) . . ?
O3B Eu1B O8B 75.69(14) . . ?
O2B Eu1B O8B 106.31(14) . . ?
O3B Eu1B O11B 130.02(15) . . ?
O2B Eu1B O11B 118.51(13) . . ?
O8B Eu1B O11B 134.39(13) . . ?
O3B Eu1B O9B 92.62(16) . . ?
O2B Eu1B O9B 70.40(15) . . ?
O8B Eu1B O9B 51.56(13) . . ?
O11B Eu1B O9B 137.01(15) . . ?
O3B Eu1B O12B 84.06(14) . . ?
O2B Eu1B O12B 80.10(14) . . ?
O8B Eu1B O12B 153.07(13) . . ?
O11B Eu1B O12B 51.54(13) . . ?
O9B Eu1B O12B 148.66(13) . . ?
O3B Eu1B O7B 152.58(13) . . ?
O2B Eu1B O7B 124.60(12) . . ?
O8B Eu1B O7B 76.89(13) . . ?
O11B Eu1B O7B 71.38(14) . . ?
O9B Eu1B O7B 70.50(15) . . ?
O12B Eu1B O7B 121.64(13) . . ?
O3B Eu1B O5B 116.32(12) . . ?
O2B Eu1B O5B 170.94(16) . . ?
O8B Eu1B O5B 66.33(15) . . ?
O11B Eu1B O5B 68.22(14) . . ?
O9B Eu1B O5B 100.54(16) . . ?
O12B Eu1B O5B 108.87(15) . . ?
O7B Eu1B O5B 49.93(12) . . ?
O3B Eu1B O1B 125.42(10) . . ?
O2B Eu1B O1B 61.19(11) . . ?
O8B Eu1B O1B 127.14(13) . . ?
O11B Eu1B O1B 73.10(13) . . ?
O9B Eu1B O1B 77.51(13) . . ?
O12B Eu1B O1B 79.20(13) . . ?
O7B Eu1B O1B 73.20(11) . . ?
O5B Eu1B O1B 118.26(12) . . ?
O3B Eu1B O4B 60.75(12) . . ?
O2B Eu1B O4B 121.59(12) . . ?
O8B Eu1B O4B 79.85(13) . . ?
O11B Eu1B O4B 83.66(13) . . ?
O9B Eu1B O4B 130.01(13) . . ?
O12B Eu1B O4B 74.78(13) . . ?
O7B Eu1B O4B 113.49(11) . . ?
O5B Eu1B O4B 63.60(12) . . ?
O1B Eu1B O4B 152.47(13) . . ?
O3B Eu1B N4B 108.78(14) . . ?
O2B Eu1B N4B 97.71(13) . . ?
O8B Eu1B N4B 154.78(13) . . ?
O11B Eu1B N4B 25.95(13) . . ?
O9B Eu1B N4B 148.68(13) . . ?
O12B Eu1B N4B 25.95(13) . . ?
O7B Eu1B N4B 95.86(14) . . ?
O5B Eu1B N4B 90.37(15) . . ?
O1B Eu1B N4B 71.50(13) . . ?
O4B Eu1B N4B 81.13(12) . . ?
O3B Eu1B N5B 81.97(14) . . ?
O2B Eu1B N5B 86.90(13) . . ?
O8B Eu1B N5B 26.00(13) . . ?
O11B Eu1B N5B 144.40(13) . . ?
O9B Eu1B N5B 25.67(13) . . ?
O12B Eu1B N5B 163.99(13) . . ?
O7B Eu1B N5B 73.60(13) . . ?
O5B Eu1B N5B 84.45(15) . . ?
O1B Eu1B N5B 102.72(13) . . ?
O4B Eu1B N5B 104.78(13) . . ?
N4B Eu1B N5B 169.25(13) . . ?
O3B Zn1B O2B 79.00(13) . . ?
O3B Zn1B O14B 106.18(17) . . ?
O2B Zn1B O14B 102.45(19) . . ?
O3B Zn1B N1B 146.07(18) . . ?
O2B Zn1B N1B 91.88(16) . . ?
O14B Zn1B N1B 107.69(17) . . ?
O3B Zn1B N2B 90.41(15) . . ?
O2B Zn1B N2B 151.51(17) . . ?
O14B Zn1B N2B 105.90(18) . . ?
N1B Zn1B N2B 82.23(17) . . ?
O3B Zn1B Eu1B 39.08(9) . . ?
O2B Zn1B Eu1B 39.94(9) . . ?
O14B Zn1B Eu1B 109.70(13) . . ?
N1B Zn1B Eu1B 123.65(12) . . ?
N2B Zn1B Eu1B 124.13(11) . . ?
C2B O1B C1B 115.0(4) . . ?
C2B O1B Eu1B 118.1(3) . . ?
C1B O1B Eu1B 125.5(3) . . ?
C7B O2B Zn1B 124.4(3) . . ?
C7B O2B Eu1B 126.2(3) . . ?
Zn1B O2B Eu1B 107.43(13) . . ?
C29B O3B Zn1B 125.9(3) . . ?
C29B O3B Eu1B 124.9(3) . . ?
Zn1B O3B Eu1B 108.61(13) . . ?
C28B O4B C30B 116.9(4) . . ?
C28B O4B Eu1B 114.5(3) . . ?
C30B O4B Eu1B 128.0(3) . . ?
N3B O5B Eu1B 95.7(3) . . ?
N3B O7B Eu1B 96.9(3) . . ?
N5B O8B Eu1B 96.6(3) . . ?
N5B O9B Eu1B 96.9(3) . . ?
N4B O11B Eu1B 96.6(3) . . ?
N4B O12B Eu1B 94.8(3) . . ?
C31B O14B Zn1B 124.1(4) . . ?
C31B O14B H14D 109.5 . . ?
Zn1B O14B H14D 126.3 . . ?
C8B N1B C9B 121.5(4) . . ?
C8B N1B Zn1B 124.5(3) . . ?
C9B N1B Zn1B 113.1(3) . . ?
C23B N2B C16B 124.1(4) . . ?
C23B N2B Zn1B 126.7(4) . . ?
C16B N2B Zn1B 109.1(3) . . ?
O6B N3B O5B 122.2(4) . . ?
O6B N3B O7B 120.5(5) . . ?
O5B N3B O7B 117.2(4) . . ?
O6B N3B Eu1B 177.2(5) . . ?
O5B N3B Eu1B 59.4(2) . . ?
O7B N3B Eu1B 58.0(2) . . ?
O13B N4B O12B 123.0(5) . . ?
O13B N4B O11B 121.5(5) . . ?
O12B N4B O11B 115.5(5) . . ?
O13B N4B Eu1B 168.8(4) . . ?
O12B N4B Eu1B 59.2(3) . . ?
O11B N4B Eu1B 57.5(3) . . ?
O10B N5B O9B 123.4(5) . . ?
O10B N5B O8B 122.0(4) . . ?
O9B N5B O8B 114.5(5) . . ?
O10B N5B Eu1B 177.8(4) . . ?
O9B N5B Eu1B 57.5(3) . . ?
O8B N5B Eu1B 57.4(3) . . ?
O1B C1B H1D 109.5 . . ?
O1B C1B H1E 109.5 . . ?
H1D C1B H1E 109.5 . . ?
O1B C1B H1F 109.5 . . ?
H1D C1B H1F 109.5 . . ?
H1E C1B H1F 109.5 . . ?
C3B C2B O1B 126.2(5) . . ?
C3B C2B C7B 121.6(5) . . ?
O1B C2B C7B 112.2(4) . . ?
C2B C3B C4B 119.8(5) . . ?
C2B C3B H3B 120.1 . . ?
C4B C3B H3B 120.1 . . ?
C5B C4B C3B 120.0(4) . . ?
C5B C4B H4B 120.0 . . ?
C3B C4B H4B 120.0 . . ?
C4B C5B C6B 121.5(5) . . ?
C4B C5B H5B 119.2 . . ?
C6B C5B H5B 119.2 . . ?
C7B C6B C5B 118.8(4) . . ?
C7B C6B C8B 123.3(4) . . ?
C5B C6B C8B 117.4(4) . . ?
O2B C7B C6B 125.6(4) . . ?
O2B C7B C2B 116.3(4) . . ?
C6B C7B C2B 118.1(4) . . ?
N1B C8B C6B 125.8(4) . . ?
N1B C8B H8B 117.1 . . ?
C6B C8B H8B 117.1 . . ?
N1B C9B C10B 113.2(4) . . ?
N1B C9B C16B 108.1(4) . . ?
C10B C9B C16B 114.0(4) . . ?
N1B C9B H9B 107.0 . . ?
C10B C9B H9B 107.0 . . ?
C16B C9B H9B 107.0 . . ?
C15B C10B C11B 119.6(5) . . ?
C15B C10B C9B 123.3(5) . . ?
C11B C10B C9B 117.0(5) . . ?
C10B C11B C12B 119.2(6) . . ?
C10B C11B H11B 120.4 . . ?
C12B C11B H11B 120.4 . . ?
C13B C12B C11B 119.7(7) . . ?
C13B C12B H12B 120.2 . . ?
C11B C12B H12B 120.2 . . ?
C12B C13B C14B 120.5(6) . . ?
C12B C13B H13B 119.8 . . ?
C14B C13B H13B 119.8 . . ?
C15B C14B C13B 119.5(6) . . ?
C15B C14B H14B 120.2 . . ?
C13B C14B H14B 120.2 . . ?
C10B C15B C14B 121.5(6) . . ?
C10B C15B H15B 119.3 . . ?
C14B C15B H15B 119.3 . . ?
N2B C16B C17B 116.3(4) . . ?
N2B C16B C9B 106.2(4) . . ?
C17B C16B C9B 110.7(4) . . ?
N2B C16B H16B 107.7 . . ?
C17B C16B H16B 107.7 . . ?
C9B C16B H16B 107.7 . . ?
C18B C17B C22B 119.6(5) . . ?
C18B C17B C16B 122.6(5) . . ?
C22B C17B C16B 117.8(5) . . ?
C17B C18B C19B 119.6(7) . . ?
C17B C18B H18B 120.2 . . ?
C19B C18B H18B 120.2 . . ?
C20B C19B C18B 120.5(7) . . ?
C20B C19B H19B 119.8 . . ?
C18B C19B H19B 119.8 . . ?
C21B C20B C19B 120.3(6) . . ?
C21B C20B H20B 119.8 . . ?
C19B C20B H20B 119.8 . . ?
C20B C21B C22B 120.2(7) . . ?
C20B C21B H21B 119.9 . . ?
C22B C21B H21B 119.9 . . ?
C17B C22B C21B 119.8(6) . . ?
C17B C22B H22B 120.1 . . ?
C21B C22B H22B 120.1 . . ?
N2B C23B C24B 124.6(5) . . ?
N2B C23B H23B 117.7 . . ?
C24B C23B H23B 117.7 . . ?
C29B C24B C25B 118.7(4) . . ?
C29B C24B C23B 124.2(4) . . ?
C25B C24B C23B 117.0(4) . . ?
C26B C25B C24B 120.8(5) . . ?
C26B C25B H25B 119.6 . . ?
C24B C25B H25B 119.6 . . ?
C25B C26B C27B 120.4(4) . . ?
C25B C26B H26B 119.8 . . ?
C27B C26B H26B 119.8 . . ?
C28B C27B C26B 119.3(5) . . ?
C28B C27B H27B 120.3 . . ?
C26B C27B H27B 120.3 . . ?
C27B C28B O4B 125.7(5) . . ?
C27B C28B C29B 121.7(5) . . ?
O4B C28B C29B 112.6(4) . . ?
O3B C29B C24B 124.8(4) . . ?
O3B C29B C28B 116.2(4) . . ?
C24B C29B C28B 119.0(4) . . ?
O4B C30B H30D 109.5 . . ?
O4B C30B H30E 109.5 . . ?
H30D C30B H30E 109.5 . . ?
O4B C30B H30F 109.5 . . ?
H30D C30B H30F 109.5 . . ?
H30E C30B H30F 109.5 . . ?
O14B C31B H31D 109.5 . . ?
O14B C31B H31E 109.5 . . ?
H31D C31B H31E 109.5 . . ?
O14B C31B H31F 109.5 . . ?
H31D C31B H31F 109.5 . . ?
H31E C31B H31F 109.5 . . ?
C1W O1W H1OW 109.5 . . ?
O1W C1W H1WA 109.5 . . ?
O1W C1W H1WB 109.5 . . ?
H1WA C1W H1WB 109.5 . . ?
O1W C1W H1WC 109.5 . . ?
H1WA C1W H1WC 109.5 . . ?
H1WB C1W H1WC 109.5 . . ?
C2W O2W H2OW 109.5 . . ?
O2W C2W H2WA 109.5 . . ?
O2W C2W H2WB 109.5 . . ?
H2WA C2W H2WB 109.5 . . ?
O2W C2W H2WC 109.5 . . ?
H2WA C2W H2WC 109.5 . . ?
H2WB C2W H2WC 109.5 . . ?

_refine_diff_density_max         0.968
_refine_diff_density_min         -2.201
_refine_diff_density_rms         0.139

_shelxl_version_number           2012-9


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Methanol/diethylether'
_chemical_properties_physical    Air-sensitive
_exptl_crystal_preparation       'Magnetic properties'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mo_I06VB152_0m_b
_database_code_depnum_ccdc_archive 'CCDC 1853427'
_audit_update_record             
;
2018-07-04 deposited with the CCDC.
2018-11-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2012
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C30 H26 Eu N5 Ni O13'
_chemical_formula_sum            'C30 H26 Eu N5 Ni O13'
_chemical_formula_weight         875.23

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           5
_space_group_name_H-M_alt        'C 2'
_space_group_name_Hall           'C 2y'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'

_cell_length_a                   19.0980(10)
_cell_length_b                   15.5383(7)
_cell_length_c                   22.0389(11)
_cell_angle_alpha                90
_cell_angle_beta                 99.059(2)
_cell_angle_gamma                90
_cell_volume                     6458.5(6)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9957
_cell_measurement_theta_min      2.40
_cell_measurement_theta_max      26.37

_exptl_crystal_description       needle
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.800
_exptl_crystal_F_000             3488
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.558
_exptl_crystal_size_mid          0.052
_exptl_crystal_size_min          0.045
_exptl_absorpt_coefficient_mu    2.583
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6272
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   microfocus
_diffrn_measurement_device_type  'D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            40759
_diffrn_reflns_av_unetI/netI     0.0482
_diffrn_reflns_av_R_equivalents  0.0422
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         2.160
_diffrn_reflns_theta_max         26.448
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_point_group_measured_fraction_full 0.992
_reflns_number_total             13171
_reflns_number_gt                11578
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.910
_reflns_Friedel_fraction_max     0.978
_reflns_Friedel_fraction_full    0.985

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences. These statistics refer to single and
 composite reflections containing twin component 1 only.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'XT-2014 (Sheldrick 2014)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0376P)²+4.1374P]
 where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.009(15)
_chemical_absolute_configuration rm
_refine_ls_number_reflns         13171
_refine_ls_number_parameters     876
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0417
_refine_ls_R_factor_gt           0.0313
_refine_ls_wR_factor_ref         0.0803
_refine_ls_wR_factor_gt          0.0714
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_restrained_S_all      1.083
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1A Eu 0.64026(2) 0.59761(2) 0.86059(2) 0.02217(12) Uani 1 1 d . . . . .
Ni1A Ni 0.66430(6) 0.70166(8) 0.99866(6) 0.0186(3) Uani 1 1 d . . . . .
O1A O 0.5837(3) 0.4678(4) 0.9041(3) 0.0240(16) Uani 1 1 d . . . . .
O2A O 0.6275(3) 0.5977(5) 0.9680(2) 0.0180(12) Uani 1 1 d . . . . .
O3A O 0.6594(3) 0.7290(4) 0.9166(3) 0.0262(16) Uani 1 1 d . . . . .
O4A O 0.6374(4) 0.7367(5) 0.7974(3) 0.0321(17) Uani 1 1 d . . . . .
O5A O 0.7575(3) 0.5728(5) 0.9325(3) 0.0324(18) Uani 1 1 d . . . . .
O6A O 0.7622(4) 0.6362(5) 0.8453(3) 0.0365(18) Uani 1 1 d . . . . .
O7A O 0.8578(4) 0.6314(6) 0.9145(5) 0.062(3) Uani 1 1 d . . . . .
C7A C 0.6193(4) 0.5286(6) 0.9998(4) 0.0168(19) Uani 1 1 d . . . . .
O8A O 0.6886(3) 0.4610(5) 0.8308(3) 0.0268(16) Uani 1 1 d . . . . .
O9A O 0.6633(4) 0.5458(5) 0.7532(3) 0.0354(18) Uani 1 1 d . . . . .
O10A O 0.7134(3) 0.4221(5) 0.7408(3) 0.0372(19) Uani 1 1 d . . . . .
O11A O 0.5334(3) 0.5852(5) 0.7847(3) 0.0287(16) Uani 1 1 d . . . . .
O12A O 0.5179(4) 0.6464(5) 0.8697(3) 0.0336(18) Uani 1 1 d . . . . .
N1A N 0.6766(4) 0.6681(4) 1.0792(3) 0.0205(16) Uani 1 1 d . . . . .
N2A N 0.6948(4) 0.8094(5) 1.0273(4) 0.0286(19) Uani 1 1 d . . . . .
N3A N 0.7937(5) 0.6133(7) 0.8981(5) 0.042(3) Uani 1 1 d . . . . .
N4A N 0.6893(4) 0.4758(6) 0.7740(4) 0.028(2) Uani 1 1 d . . . . .
N5A N 0.4905(5) 0.6202(6) 0.8157(4) 0.034(2) Uani 1 1 d . . . . .
C1A C 0.5559(5) 0.3963(8) 0.8661(4) 0.029(2) Uani 1 1 d . . . . .
H1AA H 0.5436 0.4155 0.8234 0.043 Uiso 1 1 calc R U . . .
H1AB H 0.5134 0.3739 0.8805 0.043 Uiso 1 1 calc R U . . .
H1AC H 0.5918 0.3508 0.8686 0.043 Uiso 1 1 calc R U . . .
C2A C 0.5964(5) 0.4535(6) 0.9658(4) 0.019(2) Uani 1 1 d . . . . .
C3A C 0.5890(5) 0.3756(6) 0.9939(5) 0.024(2) Uani 1 1 d . . . . .
H3A H 0.5738 0.3259 0.9704 0.029 Uiso 1 1 calc R U . . .
C4A C 0.6047(5) 0.3717(6) 1.0583(5) 0.028(2) Uani 1 1 d . . . . .
H4A H 0.6012 0.3184 1.0788 0.034 Uiso 1 1 calc R U . . .
C5A C 0.6250(5) 0.4441(6) 1.0918(5) 0.025(2) Uani 1 1 d . . . . .
H5A H 0.6337 0.4404 1.1353 0.030 Uiso 1 1 calc R U . . .
C6A C 0.6333(4) 0.5222(6) 1.0643(4) 0.0170(18) Uani 1 1 d . . . . .
C8A C 0.6620(4) 0.5930(6) 1.1006(4) 0.0225(18) Uani 1 1 d . . . . .
H8A H 0.6712 0.5851 1.1439 0.027 Uiso 1 1 calc R U . . .
C9A C 0.7191(5) 0.7307(5) 1.1213(4) 0.030(2) Uani 1 1 d . . . . .
H9A H 0.7045 0.7260 1.1628 0.036 Uiso 1 1 calc R U . . .
C10A C 0.7989(5) 0.7104(6) 1.1275(5) 0.031(2) Uani 1 1 d . . . . .
C11A C 0.8298(5) 0.6835(7) 1.0780(5) 0.031(2) Uani 1 1 d . . . . .
H11A H 0.8018 0.6806 1.0384 0.037 Uiso 1 1 calc R U . . .
C12A C 0.9012(5) 0.6607(7) 1.0852(6) 0.039(3) Uani 1 1 d . . . . .
H12A H 0.9214 0.6410 1.0510 0.046 Uiso 1 1 calc R U . . .
C13A C 0.9415(5) 0.6670(6) 1.1418(6) 0.042(3) Uani 1 1 d . . . . .
H13A H 0.9904 0.6525 1.1469 0.051 Uiso 1 1 calc R U . . .
O13A O 0.4269(3) 0.6301(6) 0.7952(3) 0.047(2) Uani 1 1 d . . . . .
C14A C 0.9112(6) 0.6951(7) 1.1933(6) 0.047(3) Uani 1 1 d . . . . .
H14A H 0.9391 0.6974 1.2330 0.057 Uiso 1 1 calc R U . . .
C15A C 0.8400(6) 0.7192(7) 1.1846(5) 0.037(3) Uani 1 1 d . . . . .
H15A H 0.8197 0.7416 1.2180 0.045 Uiso 1 1 calc R U . . .
C16A C 0.7001(5) 0.8193(5) 1.0962(4) 0.032(2) Uani 1 1 d . . . . .
H16A H 0.7399 0.8595 1.1112 0.039 Uiso 1 1 calc R U . . .
C17A C 0.6325(6) 0.8549(8) 1.1140(7) 0.0704(17) Uani 1 1 d . . . . .
C18A C 0.6339(6) 0.9251(8) 1.1497(7) 0.0704(17) Uani 1 1 d . . . . .
H18A H 0.6787 0.9501 1.1647 0.084 Uiso 1 1 calc R U . . .
C19A C 0.5746(6) 0.9631(8) 1.1658(7) 0.0704(17) Uani 1 1 d . . . . .
H19A H 0.5786 1.0134 1.1906 0.084 Uiso 1 1 calc R U . . .
C20A C 0.5108(6) 0.9281(8) 1.1461(7) 0.0704(17) Uani 1 1 d . . . . .
H20A H 0.4687 0.9575 1.1516 0.084 Uiso 1 1 calc R U . . .
C21A C 0.5075(6) 0.8506(8) 1.1185(7) 0.0704(17) Uani 1 1 d . . . . .
H21A H 0.4634 0.8213 1.1100 0.084 Uiso 1 1 calc R U . . .
C22A C 0.5699(6) 0.8120(9) 1.1019(7) 0.0704(17) Uani 1 1 d . . . . .
H22A H 0.5675 0.7571 1.0826 0.084 Uiso 1 1 calc R U . . .
C23A C 0.7007(5) 0.8771(6) 0.9941(5) 0.033(3) Uani 1 1 d . . . . .
H23A H 0.7140 0.9293 1.0152 0.040 Uiso 1 1 calc R U . . .
C24A C 0.6885(5) 0.8800(6) 0.9275(5) 0.031(2) Uani 1 1 d . . . . .
C25A C 0.6944(5) 0.9568(6) 0.8991(6) 0.039(3) Uani 1 1 d . . . . .
H25A H 0.7073 1.0067 0.9232 0.046 Uiso 1 1 calc R U . . .
C26A C 0.6822(5) 0.9632(7) 0.8370(6) 0.044(3) Uani 1 1 d . . . . .
H26A H 0.6851 1.0177 0.8179 0.052 Uiso 1 1 calc R U . . .
C27A C 0.6654(5) 0.8903(6) 0.8011(5) 0.035(3) Uani 1 1 d . . . . .
H27A H 0.6588 0.8946 0.7576 0.042 Uiso 1 1 calc R U . . .
C28A C 0.6585(5) 0.8125(7) 0.8284(5) 0.030(2) Uani 1 1 d . . . . .
C29A C 0.6699(5) 0.8064(6) 0.8924(5) 0.027(2) Uani 1 1 d . . . . .
C30A C 0.6201(6) 0.7403(8) 0.7318(4) 0.041(3) Uani 1 1 d . . . . .
H30A H 0.6614 0.7608 0.7145 0.062 Uiso 1 1 calc R U . . .
H30B H 0.5803 0.7798 0.7202 0.062 Uiso 1 1 calc R U . . .
H30C H 0.6070 0.6827 0.7158 0.062 Uiso 1 1 calc R U . . .
Eu2B Eu 0.35054(2) 0.40796(2) 0.63854(2) 0.01704(11) Uani 1 1 d . . . . .
Ni1B Ni 0.33697(5) 0.30845(7) 0.49950(5) 0.0137(2) Uani 1 1 d . . . . .
O1B O 0.4131(3) 0.5393(4) 0.6015(3) 0.0199(14) Uani 1 1 d . . . . .
O2B O 0.3779(3) 0.4072(5) 0.5344(2) 0.0185(12) Uani 1 1 d . . . . .
O3B O 0.3283(3) 0.2817(4) 0.5795(3) 0.0196(14) Uani 1 1 d . . . . .
O4B O 0.3470(3) 0.2664(4) 0.6968(3) 0.0237(15) Uani 1 1 d . . . . .
O5B O 0.2424(4) 0.4419(4) 0.5623(3) 0.0273(17) Uani 1 1 d . . . . .
O6B O 0.2248(3) 0.3743(5) 0.6442(3) 0.0324(17) Uani 1 1 d . . . . .
O7B O 0.1352(4) 0.3963(8) 0.5715(4) 0.077(3) Uani 1 1 d . . . . .
O8B O 0.3003(3) 0.5452(4) 0.6664(3) 0.0219(15) Uani 1 1 d . . . . .
O9B O 0.3189(3) 0.4590(4) 0.7427(3) 0.0266(15) Uani 1 1 d . . . . .
O10B O 0.2707(3) 0.5835(5) 0.7534(3) 0.0260(15) Uani 1 1 d . . . . .
O11B O 0.4515(3) 0.4174(5) 0.7218(3) 0.0265(15) Uani 1 1 d . . . . .
O12B O 0.4743(4) 0.3602(5) 0.6392(3) 0.0334(18) Uani 1 1 d . . . . .
O13B O 0.5586(4) 0.3724(5) 0.7160(3) 0.0345(17) Uani 1 1 d . . . . .
N1B N 0.3485(4) 0.3363(5) 0.4204(3) 0.0193(16) Uani 1 1 d . . . . .
N2B N 0.2928(4) 0.2111(5) 0.4667(3) 0.0196(15) Uani 1 1 d . . . . .
N3B N 0.1996(4) 0.4048(8) 0.5927(4) 0.035(2) Uani 1 1 d . . . . .
N4B N 0.2962(4) 0.5307(5) 0.7228(4) 0.0213(17) Uani 1 1 d . . . . .
N5B N 0.4979(4) 0.3825(5) 0.6929(4) 0.0231(19) Uani 1 1 d . . . . .
C1B C 0.4436(4) 0.6071(7) 0.6415(4) 0.025(2) Uani 1 1 d . . . . .
H1BA H 0.4884 0.6255 0.6292 0.037 Uiso 1 1 calc R U . . .
H1BB H 0.4525 0.5861 0.6839 0.037 Uiso 1 1 calc R U . . .
H1BC H 0.4108 0.6559 0.6385 0.037 Uiso 1 1 calc R U . . .
C2B C 0.4049(5) 0.5542(6) 0.5381(4) 0.0165(19) Uani 1 1 d . . . . .
C3B C 0.4105(5) 0.6311(6) 0.5104(4) 0.021(2) Uani 1 1 d . . . . .
H3B H 0.4209 0.6814 0.5347 0.025 Uiso 1 1 calc R U . . .
C4B C 0.4012(5) 0.6374(5) 0.4462(5) 0.022(2) Uani 1 1 d . . . . .
H4B H 0.4042 0.6919 0.4273 0.027 Uiso 1 1 calc R U . . .
C5B C 0.3878(5) 0.5660(6) 0.4109(4) 0.022(2) Uani 1 1 d . . . . .
H5B H 0.3835 0.5699 0.3675 0.026 Uiso 1 1 calc R U . . .
C6B C 0.3803(4) 0.4849(5) 0.4397(4) 0.0148(18) Uani 1 1 d . . . . .
C7B C 0.3869(4) 0.4805(5) 0.5029(4) 0.0127(17) Uani 1 1 d . . . . .
C8B C 0.3644(4) 0.4096(6) 0.4003(3) 0.0176(15) Uani 1 1 d . . . . .
H8B H 0.3660 0.4154 0.3577 0.021 Uiso 1 1 calc R U . . .
C9B C 0.3339(4) 0.2619(4) 0.3776(3) 0.0198(16) Uani 1 1 d . . . . .
H9B H 0.3199 0.2830 0.3346 0.024 Uiso 1 1 calc R U . . .
C10B C 0.3962(5) 0.2006(5) 0.3806(3) 0.0216(17) Uani 1 1 d . . . . .
C11B C 0.4589(5) 0.2115(5) 0.4207(4) 0.031(2) Uani 1 1 d . . . . .
H11B H 0.4654 0.2610 0.4463 0.038 Uiso 1 1 calc R U . . .
C12B C 0.5137(5) 0.1489(6) 0.4237(4) 0.036(2) Uani 1 1 d . . . . .
H12B H 0.5550 0.1534 0.4538 0.043 Uiso 1 1 calc R U . . .
C13B C 0.5062(5) 0.0807(6) 0.3818(5) 0.038(2) Uani 1 1 d . . . . .
H13B H 0.5435 0.0401 0.3820 0.046 Uiso 1 1 calc R U . . .
C14B C 0.4452(6) 0.0725(6) 0.3405(5) 0.041(3) Uani 1 1 d . . . . .
H14B H 0.4413 0.0277 0.3109 0.049 Uiso 1 1 calc R U . . .
C15B C 0.3884(5) 0.1293(5) 0.3411(4) 0.033(2) Uani 1 1 d . . . . .
H15B H 0.3447 0.1196 0.3149 0.040 Uiso 1 1 calc R U . . .
C16B C 0.2706(4) 0.2183(5) 0.3997(3) 0.0197(17) Uani 1 1 d . . . . .
H16B H 0.2646 0.1592 0.3816 0.024 Uiso 1 1 calc R U . . .
C17B C 0.2029(5) 0.2682(5) 0.3817(5) 0.026(2) Uani 1 1 d . . . . .
C18B C 0.1725(5) 0.2709(7) 0.3200(5) 0.036(3) Uani 1 1 d . . . . .
H18B H 0.1957 0.2438 0.2900 0.043 Uiso 1 1 calc R U . . .
C19B C 0.1088(6) 0.3128(7) 0.3019(6) 0.047(3) Uani 1 1 d . . . . .
H19B H 0.0885 0.3123 0.2597 0.056 Uiso 1 1 calc R U . . .
C20B C 0.0749(5) 0.3540(6) 0.3420(5) 0.041(3) Uani 1 1 d . . . . .
H20B H 0.0316 0.3834 0.3285 0.050 Uiso 1 1 calc R U . . .
C21B C 0.1041(5) 0.3528(6) 0.4037(6) 0.036(3) Uani 1 1 d . . . . .
H21B H 0.0804 0.3813 0.4327 0.044 Uiso 1 1 calc R U . . .
C22B C 0.1678(5) 0.3107(7) 0.4237(6) 0.033(3) Uani 1 1 d . . . . .
H22C H 0.1873 0.3108 0.4661 0.040 Uiso 1 1 calc R U . . .
C23B C 0.2813(4) 0.1433(5) 0.4961(4) 0.0176(17) Uani 1 1 d . . . . .
H23B H 0.2603 0.0958 0.4729 0.021 Uiso 1 1 calc R U . . .
C24B C 0.2975(4) 0.1328(5) 0.5616(4) 0.0167(18) Uani 1 1 d . . . . .
C25B C 0.2903(5) 0.0500(7) 0.5890(5) 0.028(2) Uani 1 1 d . . . . .
H25B H 0.2785 0.0011 0.5636 0.034 Uiso 1 1 calc R U . . .
C26B C 0.3005(5) 0.0411(6) 0.6517(5) 0.031(2) Uani 1 1 d . . . . .
H26B H 0.2958 -0.0140 0.6692 0.037 Uiso 1 1 calc R U . . .
C27B C 0.3173(4) 0.1108(7) 0.6895(4) 0.029(2) Uani 1 1 d . . . . .
H27B H 0.3221 0.1043 0.7328 0.034 Uiso 1 1 calc R U . . .
C28B C 0.3273(4) 0.1915(6) 0.6640(4) 0.021(2) Uani 1 1 d . . . . .
C29B C 0.3171(4) 0.2027(6) 0.6008(4) 0.0193(19) Uani 1 1 d . . . . .
C30B C 0.3590(6) 0.2589(7) 0.7632(5) 0.038(3) Uani 1 1 d . . . . .
H30D H 0.3149 0.2411 0.7772 0.057 Uiso 1 1 calc R U . . .
H30E H 0.3742 0.3146 0.7815 0.057 Uiso 1 1 calc R U . . .
H30F H 0.3958 0.2157 0.7758 0.057 Uiso 1 1 calc R U . . .


_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
Eu1A O3A 2.384(7) . ?
Eu1A O2A 2.418(5) . ?
Eu1A O11A 2.433(6) . ?
Eu1A O8A 2.446(7) . ?
Eu1A O6A 2.479(7) . ?
Eu1A O12A 2.494(7) . ?
Eu1A O1A 2.546(7) . ?
Eu1A O5A 2.560(7) . ?
Eu1A O4A 2.568(7) . ?
Eu1A O9A 2.603(7) . ?
Eu1A N5A 2.896(9) . ?
Eu1A N3A 2.928(9) . ?
Ni1A N1A 1.829(8) . ?
Ni1A O3A 1.845(7) . ?
Ni1A O2A 1.846(7) . ?
Ni1A N2A 1.851(8) . ?
O1A C2A 1.361(11) . ?
O1A C1A 1.441(12) . ?
O2A C7A 1.306(11) . ?
O3A C29A 1.345(11) . ?
O4A C28A 1.388(13) . ?
O4A C30A 1.431(11) . ?
O5A N3A 1.272(12) . ?
O6A N3A 1.274(11) . ?
O7A N3A 1.252(11) . ?
C7A C6A 1.407(12) . ?
C7A C2A 1.419(12) . ?
O8A N4A 1.274(10) . ?
O9A N4A 1.252(10) . ?
O10A N4A 1.245(11) . ?
O11A N5A 1.269(11) . ?
O12A N5A 1.287(11) . ?
N1A C8A 1.305(12) . ?
N1A C9A 1.494(10) . ?
N2A C23A 1.297(12) . ?
N2A C16A 1.514(12) . ?
N5A O13A 1.237(11) . ?
C1A H1AA 0.9800 . ?
C1A H1AB 0.9800 . ?
C1A H1AC 0.9800 . ?
C2A C3A 1.377(12) . ?
C3A C4A 1.406(14) . ?
C3A H3A 0.9500 . ?
C4A C5A 1.367(13) . ?
C4A H4A 0.9500 . ?
C5A C6A 1.377(13) . ?
C5A H5A 0.9500 . ?
C6A C8A 1.418(12) . ?
C8A H8A 0.9500 . ?
C9A C16A 1.506(12) . ?
C9A C10A 1.542(13) . ?
C9A H9A 1.0000 . ?
C10A C15A 1.380(14) . ?
C10A C11A 1.384(15) . ?
C11A C12A 1.393(14) . ?
C11A H11A 0.9500 . ?
C12A C13A 1.364(15) . ?
C12A H12A 0.9500 . ?
C13A C14A 1.421(17) . ?
C13A H13A 0.9500 . ?
C14A C15A 1.396(15) . ?
C14A H14A 0.9500 . ?
C15A H15A 0.9500 . ?
C16A C17A 1.510(14) . ?
C16A H16A 1.0000 . ?
C17A C18A 1.343(16) . ?
C17A C22A 1.359(17) . ?
C18A C19A 1.373(16) . ?
C18A H18A 0.9500 . ?
C19A C20A 1.342(17) . ?
C19A H19A 0.9500 . ?
C20A C21A 1.346(16) . ?
C20A H20A 0.9500 . ?
C21A C22A 1.432(16) . ?
C21A H21A 0.9500 . ?
C22A H22A 0.9500 . ?
C23A C24A 1.450(15) . ?
C23A H23A 0.9500 . ?
C24A C25A 1.360(14) . ?
C24A C29A 1.396(14) . ?
C25A C26A 1.356(17) . ?
C25A H25A 0.9500 . ?
C26A C27A 1.389(16) . ?
C26A H26A 0.9500 . ?
C27A C28A 1.365(13) . ?
C27A H27A 0.9500 . ?
C28A C29A 1.396(14) . ?
C30A H30A 0.9800 . ?
C30A H30B 0.9800 . ?
C30A H30C 0.9800 . ?
Eu2B O3B 2.356(6) . ?
Eu2B O2B 2.434(5) . ?
Eu2B O11B 2.448(6) . ?
Eu2B O8B 2.456(6) . ?
Eu2B O12B 2.474(7) . ?
Eu2B O6B 2.481(6) . ?
Eu2B O5B 2.505(6) . ?
Eu2B O4B 2.553(6) . ?
Eu2B O1B 2.561(6) . ?
Eu2B O9B 2.589(6) . ?
Eu2B N3B 2.901(7) . ?
Eu2B N5B 2.907(8) . ?
Ni1B N2B 1.825(7) . ?
Ni1B O2B 1.835(7) . ?
Ni1B N1B 1.843(7) . ?
Ni1B O3B 1.844(6) . ?
O1B C2B 1.401(11) . ?
O1B C1B 1.436(10) . ?
O2B C7B 1.359(10) . ?
O3B C29B 1.344(10) . ?
O4B C28B 1.392(11) . ?
O4B C30B 1.450(11) . ?
O5B N3B 1.274(12) . ?
O6B N3B 1.255(11) . ?
O7B N3B 1.251(11) . ?
O8B N4B 1.278(10) . ?
O9B N4B 1.250(9) . ?
O10B N4B 1.212(10) . ?
O11B N5B 1.288(10) . ?
O12B N5B 1.249(10) . ?
O13B N5B 1.201(10) . ?
N1B C8B 1.275(11) . ?
N1B C9B 1.490(9) . ?
N2B C23B 1.274(11) . ?
N2B C16B 1.476(10) . ?
C1B H1BA 0.9800 . ?
C1B H1BB 0.9800 . ?
C1B H1BC 0.9800 . ?
C2B C3B 1.355(12) . ?
C2B C7B 1.396(12) . ?
C3B C4B 1.402(13) . ?
C3B H3B 0.9500 . ?
C4B C5B 1.355(12) . ?
C4B H4B 0.9500 . ?
C5B C6B 1.429(11) . ?
C5B H5B 0.9500 . ?
C6B C7B 1.380(12) . ?
C6B C8B 1.460(12) . ?
C8B H8B 0.9500 . ?
C9B C10B 1.516(11) . ?
C9B C16B 1.530(11) . ?
C9B H9B 1.0000 . ?
C10B C11B 1.382(11) . ?
C10B C15B 1.402(11) . ?
C11B C12B 1.423(12) . ?
C11B H11B 0.9500 . ?
C12B C13B 1.398(12) . ?
C12B H12B 0.9500 . ?
C13B C14B 1.367(13) . ?
C13B H13B 0.9500 . ?
C14B C15B 1.400(13) . ?
C14B H14B 0.9500 . ?
C15B H15B 0.9500 . ?
C16B C17B 1.506(11) . ?
C16B H16B 1.0000 . ?
C17B C18B 1.393(14) . ?
C17B C22B 1.393(15) . ?
C18B C19B 1.381(14) . ?
C18B H18B 0.9500 . ?
C19B C20B 1.340(17) . ?
C19B H19B 0.9500 . ?
C20B C21B 1.385(15) . ?
C20B H20B 0.9500 . ?
C21B C22B 1.390(13) . ?
C21B H21B 0.9500 . ?
C22B H22C 0.9500 . ?
C23B C24B 1.437(12) . ?
C23B H23B 0.9500 . ?
C24B C29B 1.400(13) . ?
C24B C25B 1.438(12) . ?
C25B C26B 1.370(15) . ?
C25B H25B 0.9500 . ?
C26B C27B 1.373(15) . ?
C26B H26B 0.9500 . ?
C27B C28B 1.399(13) . ?
C27B H27B 0.9500 . ?
C28B C29B 1.387(13) . ?
C30B H30D 0.9800 . ?
C30B H30E 0.9800 . ?
C30B H30F 0.9800 . ?

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
O3A Eu1A O2A 61.5(2) . . ?
O3A Eu1A O11A 117.9(2) . . ?
O2A Eu1A O11A 118.04(19) . . ?
O3A Eu1A O8A 148.1(2) . . ?
O2A Eu1A O8A 111.4(2) . . ?
O11A Eu1A O8A 93.3(2) . . ?
O3A Eu1A O6A 78.0(2) . . ?
O2A Eu1A O6A 112.0(2) . . ?
O11A Eu1A O6A 129.0(2) . . ?
O8A Eu1A O6A 76.8(2) . . ?
O3A Eu1A O12A 76.5(2) . . ?
O2A Eu1A O12A 71.4(2) . . ?
O11A Eu1A O12A 52.0(2) . . ?
O8A Eu1A O12A 133.1(2) . . ?
O6A Eu1A O12A 148.2(3) . . ?
O3A Eu1A O1A 121.5(2) . . ?
O2A Eu1A O1A 61.2(2) . . ?
O11A Eu1A O1A 80.6(2) . . ?
O8A Eu1A O1A 67.3(2) . . ?
O6A Eu1A O1A 135.0(2) . . ?
O12A Eu1A O1A 75.6(2) . . ?
O3A Eu1A O5A 76.1(2) . . ?
O2A Eu1A O5A 66.8(2) . . ?
O11A Eu1A O5A 166.0(3) . . ?
O8A Eu1A O5A 72.9(2) . . ?
O6A Eu1A O5A 51.1(2) . . ?
O12A Eu1A O5A 137.3(2) . . ?
O1A Eu1A O5A 91.7(2) . . ?
O3A Eu1A O4A 63.2(2) . . ?
O2A Eu1A O4A 122.3(2) . . ?
O11A Eu1A O4A 75.5(2) . . ?
O8A Eu1A O4A 124.2(2) . . ?
O6A Eu1A O4A 70.3(2) . . ?
O12A Eu1A O4A 81.2(2) . . ?
O1A Eu1A O4A 153.8(2) . . ?
O5A Eu1A O4A 113.9(2) . . ?
O3A Eu1A O9A 134.6(2) . . ?
O2A Eu1A O9A 161.5(2) . . ?
O11A Eu1A O9A 66.1(2) . . ?
O8A Eu1A O9A 50.3(2) . . ?
O6A Eu1A O9A 69.8(2) . . ?
O12A Eu1A O9A 117.5(2) . . ?
O1A Eu1A O9A 103.9(2) . . ?
O5A Eu1A O9A 105.1(2) . . ?
O4A Eu1A O9A 76.1(2) . . ?
O3A Eu1A N5A 97.8(2) . . ?
O2A Eu1A N5A 95.0(2) . . ?
O11A Eu1A N5A 25.7(2) . . ?
O8A Eu1A N5A 114.1(2) . . ?
O6A Eu1A N5A 145.4(2) . . ?
O12A Eu1A N5A 26.3(2) . . ?
O1A Eu1A N5A 76.7(2) . . ?
O5A Eu1A N5A 161.7(2) . . ?
O4A Eu1A N5A 77.1(2) . . ?
O9A Eu1A N5A 91.5(2) . . ?
O3A Eu1A N3A 73.6(3) . . ?
O2A Eu1A N3A 88.5(2) . . ?
O11A Eu1A N3A 153.4(3) . . ?
O8A Eu1A N3A 75.2(2) . . ?
O6A Eu1A N3A 25.6(2) . . ?
O12A Eu1A N3A 149.4(3) . . ?
O1A Eu1A N3A 115.2(3) . . ?
O5A Eu1A N3A 25.7(2) . . ?
O4A Eu1A N3A 91.0(3) . . ?
O9A Eu1A N3A 88.7(2) . . ?
N5A Eu1A N3A 167.7(3) . . ?
N1A Ni1A O3A 174.5(3) . . ?
N1A Ni1A O2A 95.1(3) . . ?
O3A Ni1A O2A 83.4(3) . . ?
N1A Ni1A N2A 86.6(3) . . ?
O3A Ni1A N2A 95.2(3) . . ?
O2A Ni1A N2A 175.9(3) . . ?
N1A Ni1A Eu1A 135.1(2) . . ?
O3A Ni1A Eu1A 42.0(2) . . ?
O2A Ni1A Eu1A 43.07(17) . . ?
N2A Ni1A Eu1A 136.4(3) . . ?
C2A O1A C1A 116.5(7) . . ?
C2A O1A Eu1A 119.1(5) . . ?
C1A O1A Eu1A 122.1(5) . . ?
C7A O2A Ni1A 126.5(5) . . ?
C7A O2A Eu1A 124.4(6) . . ?
Ni1A O2A Eu1A 105.5(3) . . ?
C29A O3A Ni1A 127.4(6) . . ?
C29A O3A Eu1A 125.5(6) . . ?
Ni1A O3A Eu1A 106.9(3) . . ?
C28A O4A C30A 117.8(8) . . ?
C28A O4A Eu1A 117.8(6) . . ?
C30A O4A Eu1A 124.2(7) . . ?
N3A O5A Eu1A 93.5(6) . . ?
N3A O6A Eu1A 97.3(6) . . ?
O2A C7A C6A 125.4(8) . . ?
O2A C7A C2A 116.5(8) . . ?
C6A C7A C2A 118.1(8) . . ?
N4A O8A Eu1A 99.8(6) . . ?
N4A O9A Eu1A 92.9(6) . . ?
N5A O11A Eu1A 98.0(5) . . ?
N5A O12A Eu1A 94.6(6) . . ?
C8A N1A C9A 118.9(7) . . ?
C8A N1A Ni1A 127.2(6) . . ?
C9A N1A Ni1A 113.0(5) . . ?
C23A N2A C16A 119.1(8) . . ?
C23A N2A Ni1A 126.3(7) . . ?
C16A N2A Ni1A 113.7(6) . . ?
O7A N3A O5A 122.6(10) . . ?
O7A N3A O6A 120.0(10) . . ?
O5A N3A O6A 117.4(8) . . ?
O7A N3A Eu1A 171.8(8) . . ?
O5A N3A Eu1A 60.8(5) . . ?
O6A N3A Eu1A 57.1(5) . . ?
O10A N4A O9A 121.9(9) . . ?
O10A N4A O8A 121.3(9) . . ?
O9A N4A O8A 116.8(8) . . ?
O10A N4A Eu1A 175.6(6) . . ?
O9A N4A Eu1A 62.0(5) . . ?
O8A N4A Eu1A 55.0(5) . . ?
O13A N5A O11A 122.5(9) . . ?
O13A N5A O12A 122.1(9) . . ?
O11A N5A O12A 115.4(8) . . ?
O13A N5A Eu1A 178.5(7) . . ?
O11A N5A Eu1A 56.3(4) . . ?
O12A N5A Eu1A 59.1(5) . . ?
O1A C1A H1AA 109.5 . . ?
O1A C1A H1AB 109.5 . . ?
H1AA C1A H1AB 109.5 . . ?
O1A C1A H1AC 109.5 . . ?
H1AA C1A H1AC 109.5 . . ?
H1AB C1A H1AC 109.5 . . ?
O1A C2A C3A 125.3(9) . . ?
O1A C2A C7A 112.7(8) . . ?
C3A C2A C7A 122.0(9) . . ?
C2A C3A C4A 118.2(9) . . ?
C2A C3A H3A 120.9 . . ?
C4A C3A H3A 120.9 . . ?
C5A C4A C3A 120.4(9) . . ?
C5A C4A H4A 119.8 . . ?
C3A C4A H4A 119.8 . . ?
C4A C5A C6A 122.1(9) . . ?
C4A C5A H5A 118.9 . . ?
C6A C5A H5A 118.9 . . ?
C5A C6A C7A 119.2(9) . . ?
C5A C6A C8A 119.8(8) . . ?
C7A C6A C8A 120.8(8) . . ?
N1A C8A C6A 125.0(8) . . ?
N1A C8A H8A 117.5 . . ?
C6A C8A H8A 117.5 . . ?
N1A C9A C16A 106.9(7) . . ?
N1A C9A C10A 110.8(7) . . ?
C16A C9A C10A 113.5(8) . . ?
N1A C9A H9A 108.5 . . ?
C16A C9A H9A 108.5 . . ?
C10A C9A H9A 108.5 . . ?
C15A C10A C11A 119.8(10) . . ?
C15A C10A C9A 118.2(10) . . ?
C11A C10A C9A 122.0(8) . . ?
C10A C11A C12A 121.2(10) . . ?
C10A C11A H11A 119.4 . . ?
C12A C11A H11A 119.4 . . ?
C13A C12A C11A 119.2(11) . . ?
C13A C12A H12A 120.4 . . ?
C11A C12A H12A 120.4 . . ?
C12A C13A C14A 120.7(10) . . ?
C12A C13A H13A 119.7 . . ?
C14A C13A H13A 119.7 . . ?
C15A C14A C13A 118.9(10) . . ?
C15A C14A H14A 120.5 . . ?
C13A C14A H14A 120.5 . . ?
C10A C15A C14A 120.0(11) . . ?
C10A C15A H15A 120.0 . . ?
C14A C15A H15A 120.0 . . ?
C9A C16A C17A 114.0(9) . . ?
C9A C16A N2A 104.4(7) . . ?
C17A C16A N2A 111.9(9) . . ?
C9A C16A H16A 108.8 . . ?
C17A C16A H16A 108.8 . . ?
N2A C16A H16A 108.8 . . ?
C18A C17A C22A 116.7(12) . . ?
C18A C17A C16A 120.7(11) . . ?
C22A C17A C16A 122.1(11) . . ?
C17A C18A C19A 124.0(12) . . ?
C17A C18A H18A 118.0 . . ?
C19A C18A H18A 118.0 . . ?
C20A C19A C18A 119.1(13) . . ?
C20A C19A H19A 120.4 . . ?
C18A C19A H19A 120.4 . . ?
C19A C20A C21A 119.0(12) . . ?
C19A C20A H20A 120.5 . . ?
C21A C20A H20A 120.5 . . ?
C20A C21A C22A 120.5(12) . . ?
C20A C21A H21A 119.7 . . ?
C22A C21A H21A 119.7 . . ?
C17A C22A C21A 119.1(12) . . ?
C17A C22A H22A 120.4 . . ?
C21A C22A H22A 120.4 . . ?
N2A C23A C24A 125.6(9) . . ?
N2A C23A H23A 117.2 . . ?
C24A C23A H23A 117.2 . . ?
C25A C24A C29A 119.7(10) . . ?
C25A C24A C23A 118.8(10) . . ?
C29A C24A C23A 121.5(9) . . ?
C26A C25A C24A 121.1(11) . . ?
C26A C25A H25A 119.5 . . ?
C24A C25A H25A 119.5 . . ?
C25A C26A C27A 120.1(10) . . ?
C25A C26A H26A 119.9 . . ?
C27A C26A H26A 119.9 . . ?
C28A C27A C26A 120.1(11) . . ?
C28A C27A H27A 119.9 . . ?
C26A C27A H27A 119.9 . . ?
C27A C28A O4A 125.1(10) . . ?
C27A C28A C29A 119.5(10) . . ?
O4A C28A C29A 115.3(8) . . ?
O3A C29A C24A 123.6(9) . . ?
O3A C29A C28A 116.9(9) . . ?
C24A C29A C28A 119.4(9) . . ?
O4A C30A H30A 109.5 . . ?
O4A C30A H30B 109.5 . . ?
H30A C30A H30B 109.5 . . ?
O4A C30A H30C 109.5 . . ?
H30A C30A H30C 109.5 . . ?
H30B C30A H30C 109.5 . . ?
O3B Eu2B O2B 61.4(2) . . ?
O3B Eu2B O11B 121.1(2) . . ?
O2B Eu2B O11B 116.50(18) . . ?
O3B Eu2B O8B 144.8(2) . . ?
O2B Eu2B O8B 113.0(2) . . ?
O11B Eu2B O8B 93.1(2) . . ?
O3B Eu2B O12B 80.9(2) . . ?
O2B Eu2B O12B 69.9(2) . . ?
O11B Eu2B O12B 51.3(2) . . ?
O8B Eu2B O12B 132.0(2) . . ?
O3B Eu2B O6B 76.1(2) . . ?
O2B Eu2B O6B 113.6(2) . . ?
O11B Eu2B O6B 129.1(2) . . ?
O8B Eu2B O6B 75.6(2) . . ?
O12B Eu2B O6B 150.2(3) . . ?
O3B Eu2B O5B 75.3(2) . . ?
O2B Eu2B O5B 69.2(2) . . ?
O11B Eu2B O5B 163.6(2) . . ?
O8B Eu2B O5B 70.8(2) . . ?
O12B Eu2B O5B 138.8(2) . . ?
O6B Eu2B O5B 51.4(2) . . ?
O3B Eu2B O4B 62.9(2) . . ?
O2B Eu2B O4B 119.8(2) . . ?
O11B Eu2B O4B 75.8(2) . . ?
O8B Eu2B O4B 125.4(2) . . ?
O12B Eu2B O4B 80.8(2) . . ?
O6B Eu2B O4B 72.0(2) . . ?
O5B Eu2B O4B 115.8(2) . . ?
O3B Eu2B O1B 122.7(2) . . ?
O2B Eu2B O1B 61.5(2) . . ?
O11B Eu2B O1B 80.7(2) . . ?
O8B Eu2B O1B 66.9(2) . . ?
O12B Eu2B O1B 75.4(2) . . ?
O6B Eu2B O1B 133.4(2) . . ?
O5B Eu2B O1B 89.7(2) . . ?
O4B Eu2B O1B 153.8(2) . . ?
O3B Eu2B O9B 134.3(2) . . ?
O2B Eu2B O9B 162.4(2) . . ?
O11B Eu2B O9B 65.38(19) . . ?
O8B Eu2B O9B 50.0(2) . . ?
O12B Eu2B O9B 116.3(2) . . ?
O6B Eu2B O9B 70.0(2) . . ?
O5B Eu2B O9B 104.4(2) . . ?
O4B Eu2B O9B 77.8(2) . . ?
O1B Eu2B O9B 102.9(2) . . ?
O3B Eu2B N3B 73.2(3) . . ?
O2B Eu2B N3B 91.2(2) . . ?
O11B Eu2B N3B 152.2(2) . . ?
O8B Eu2B N3B 72.3(3) . . ?
O12B Eu2B N3B 153.2(3) . . ?
O6B Eu2B N3B 25.5(2) . . ?
O5B Eu2B N3B 26.0(2) . . ?
O4B Eu2B N3B 93.3(3) . . ?
O1B Eu2B N3B 112.9(3) . . ?
O9B Eu2B N3B 87.5(2) . . ?
O3B Eu2B N5B 101.1(2) . . ?
O2B Eu2B N5B 92.9(2) . . ?
O11B Eu2B N5B 26.1(2) . . ?
O8B Eu2B N5B 114.0(2) . . ?
O12B Eu2B N5B 25.2(2) . . ?
O6B Eu2B N5B 146.4(2) . . ?
O5B Eu2B N5B 161.4(2) . . ?
O4B Eu2B N5B 77.0(2) . . ?
O1B Eu2B N5B 76.7(2) . . ?
O9B Eu2B N5B 91.2(2) . . ?
N3B Eu2B N5B 170.3(3) . . ?
N2B Ni1B O2B 177.4(3) . . ?
N2B Ni1B N1B 86.4(3) . . ?
O2B Ni1B N1B 95.3(3) . . ?
N2B Ni1B O3B 94.9(3) . . ?
O2B Ni1B O3B 83.4(3) . . ?
N1B Ni1B O3B 178.2(3) . . ?
N2B Ni1B Eu2B 134.2(2) . . ?
O2B Ni1B Eu2B 43.67(17) . . ?
N1B Ni1B Eu2B 137.8(2) . . ?
O3B Ni1B Eu2B 41.21(19) . . ?
C2B O1B C1B 117.4(7) . . ?
C2B O1B Eu2B 117.7(5) . . ?
C1B O1B Eu2B 123.6(5) . . ?
C7B O2B Ni1B 124.6(5) . . ?
C7B O2B Eu2B 122.7(6) . . ?
Ni1B O2B Eu2B 105.0(3) . . ?
C29B O3B Ni1B 125.7(6) . . ?
C29B O3B Eu2B 126.3(5) . . ?
Ni1B O3B Eu2B 107.8(3) . . ?
C28B O4B C30B 116.3(7) . . ?
C28B O4B Eu2B 119.1(5) . . ?
C30B O4B Eu2B 124.4(6) . . ?
N3B O5B Eu2B 94.7(5) . . ?
N3B O6B Eu2B 96.4(5) . . ?
N4B O8B Eu2B 100.1(5) . . ?
N4B O9B Eu2B 94.5(5) . . ?
N5B O11B Eu2B 97.3(5) . . ?
N5B O12B Eu2B 97.1(5) . . ?
C8B N1B C9B 120.3(7) . . ?
C8B N1B Ni1B 127.4(6) . . ?
C9B N1B Ni1B 112.2(5) . . ?
C23B N2B C16B 121.8(7) . . ?
C23B N2B Ni1B 126.1(6) . . ?
C16B N2B Ni1B 112.1(5) . . ?
O7B N3B O6B 120.7(10) . . ?
O7B N3B O5B 121.8(9) . . ?
O6B N3B O5B 117.5(7) . . ?
O7B N3B Eu2B 174.7(10) . . ?
O6B N3B Eu2B 58.2(4) . . ?
O5B N3B Eu2B 59.4(4) . . ?
O10B N4B O9B 123.8(8) . . ?
O10B N4B O8B 120.8(8) . . ?
O9B N4B O8B 115.3(8) . . ?
O10B N4B Eu2B 174.9(6) . . ?
O9B N4B Eu2B 60.6(4) . . ?
O8B N4B Eu2B 54.7(4) . . ?
O13B N5B O12B 123.1(8) . . ?
O13B N5B O11B 122.6(8) . . ?
O12B N5B O11B 114.3(7) . . ?
O13B N5B Eu2B 179.2(7) . . ?
O12B N5B Eu2B 57.6(4) . . ?
O11B N5B Eu2B 56.7(4) . . ?
O1B C1B H1BA 109.5 . . ?
O1B C1B H1BB 109.5 . . ?
H1BA C1B H1BB 109.5 . . ?
O1B C1B H1BC 109.5 . . ?
H1BA C1B H1BC 109.5 . . ?
H1BB C1B H1BC 109.5 . . ?
C3B C2B C7B 120.2(8) . . ?
C3B C2B O1B 126.2(8) . . ?
C7B C2B O1B 113.5(8) . . ?
C2B C3B C4B 120.7(8) . . ?
C2B C3B H3B 119.7 . . ?
C4B C3B H3B 119.7 . . ?
C5B C4B C3B 120.3(8) . . ?
C5B C4B H4B 119.8 . . ?
C3B C4B H4B 119.8 . . ?
C4B C5B C6B 119.4(8) . . ?
C4B C5B H5B 120.3 . . ?
C6B C5B H5B 120.3 . . ?
C7B C6B C5B 119.5(8) . . ?
C7B C6B C8B 122.5(7) . . ?
C5B C6B C8B 118.0(8) . . ?
O2B C7B C6B 123.9(8) . . ?
O2B C7B C2B 116.3(7) . . ?
C6B C7B C2B 119.8(8) . . ?
N1B C8B C6B 123.3(7) . . ?
N1B C8B H8B 118.4 . . ?
C6B C8B H8B 118.4 . . ?
N1B C9B C10B 113.1(6) . . ?
N1B C9B C16B 102.7(6) . . ?
C10B C9B C16B 111.2(6) . . ?
N1B C9B H9B 109.8 . . ?
C10B C9B H9B 109.8 . . ?
C16B C9B H9B 109.8 . . ?
C11B C10B C15B 119.3(8) . . ?
C11B C10B C9B 123.1(7) . . ?
C15B C10B C9B 117.6(7) . . ?
C10B C11B C12B 120.2(8) . . ?
C10B C11B H11B 119.9 . . ?
C12B C11B H11B 119.9 . . ?
C13B C12B C11B 119.3(8) . . ?
C13B C12B H12B 120.3 . . ?
C11B C12B H12B 120.3 . . ?
C14B C13B C12B 119.9(8) . . ?
C14B C13B H13B 120.1 . . ?
C12B C13B H13B 120.1 . . ?
C13B C14B C15B 121.0(8) . . ?
C13B C14B H14B 119.5 . . ?
C15B C14B H14B 119.5 . . ?
C14B C15B C10B 119.9(9) . . ?
C14B C15B H15B 120.1 . . ?
C10B C15B H15B 120.1 . . ?
N2B C16B C17B 113.7(7) . . ?
N2B C16B C9B 103.6(6) . . ?
C17B C16B C9B 112.2(7) . . ?
N2B C16B H16B 109.1 . . ?
C17B C16B H16B 109.1 . . ?
C9B C16B H16B 109.1 . . ?
C18B C17B C22B 117.7(9) . . ?
C18B C17B C16B 118.8(9) . . ?
C22B C17B C16B 123.5(9) . . ?
C19B C18B C17B 120.6(11) . . ?
C19B C18B H18B 119.7 . . ?
C17B C18B H18B 119.7 . . ?
C20B C19B C18B 122.1(11) . . ?
C20B C19B H19B 119.0 . . ?
C18B C19B H19B 119.0 . . ?
C19B C20B C21B 118.6(9) . . ?
C19B C20B H20B 120.7 . . ?
C21B C20B H20B 120.7 . . ?
C20B C21B C22B 121.0(10) . . ?
C20B C21B H21B 119.5 . . ?
C22B C21B H21B 119.5 . . ?
C21B C22B C17B 120.0(10) . . ?
C21B C22B H22C 120.0 . . ?
C17B C22B H22C 120.0 . . ?
N2B C23B C24B 125.3(8) . . ?
N2B C23B H23B 117.4 . . ?
C24B C23B H23B 117.4 . . ?
C29B C24B C23B 121.7(8) . . ?
C29B C24B C25B 118.0(8) . . ?
C23B C24B C25B 120.2(8) . . ?
C26B C25B C24B 120.3(9) . . ?
C26B C25B H25B 119.8 . . ?
C24B C25B H25B 119.8 . . ?
C25B C26B C27B 121.0(9) . . ?
C25B C26B H26B 119.5 . . ?
C27B C26B H26B 119.5 . . ?
C26B C27B C28B 119.8(9) . . ?
C26B C27B H27B 120.1 . . ?
C28B C27B H27B 120.1 . . ?
C29B C28B O4B 113.6(8) . . ?
C29B C28B C27B 120.6(9) . . ?
O4B C28B C27B 125.8(9) . . ?
O3B C29B C28B 117.4(8) . . ?
O3B C29B C24B 122.3(8) . . ?
C28B C29B C24B 120.3(8) . . ?
O4B C30B H30D 109.5 . . ?
O4B C30B H30E 109.5 . . ?
H30D C30B H30E 109.5 . . ?
O4B C30B H30F 109.5 . . ?
H30D C30B H30F 109.5 . . ?
H30E C30B H30F 109.5 . . ?

_refine_diff_density_max         1.038
_refine_diff_density_min         -0.959
_refine_diff_density_rms         0.152

_shelxl_version_number           2012-9


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Methanol/diethylether'
_exptl_crystal_preparation       'Magnetic properties'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mo_i06wb11_0m_ba
_database_code_depnum_ccdc_archive 'CCDC 1853431'
_audit_update_record             
;
2018-07-04 deposited with the CCDC.
2018-11-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2012
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C30 H28 Eu N5 O14 Zn, H2 O'
_chemical_formula_sum            'C30 H30 Eu N5 O15 Zn'
_chemical_formula_weight         917.92

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   9.0617(10)
_cell_length_b                   17.1585(17)
_cell_length_c                   22.414(2)
_cell_angle_alpha                90
_cell_angle_beta                 97.001(4)
_cell_angle_gamma                90
_cell_volume                     3459.1(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9894
_cell_measurement_theta_min      2.37
_cell_measurement_theta_max      29.90

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.763
_exptl_crystal_F_000             1832
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.191
_exptl_crystal_size_mid          0.129
_exptl_crystal_size_min          0.074
_exptl_absorpt_coefficient_mu    2.568
_shelx_estimated_absorpt_T_min   0.640
_shelx_estimated_absorpt_T_max   0.833
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5781
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   microfocus
_diffrn_measurement_device_type  'D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            42189
_diffrn_reflns_av_R_equivalents  0.0592
_diffrn_reflns_av_sigmaI/netI    0.0871
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         2.544
_diffrn_reflns_theta_max         30.539
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.943
_diffrn_measured_fraction_theta_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.943
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.871
_diffrn_reflns_point_group_measured_fraction_full 0.943
_reflns_number_total             18446
_reflns_number_gt                14880
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.793
_reflns_Friedel_fraction_max     0.795
_reflns_Friedel_fraction_full    0.898

_reflns_special_details          
;
 Data were apparently pre-merged, so _diffrn_reflns_number
 etc. will have to be added later.
 
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences. These statistics refer to single and
 composite reflections containing twin component 1 only.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'XT-2014 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0247P)²+6.9837P]
 where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.141(18)
_chemical_absolute_configuration rm
_refine_ls_number_reflns         18446
_refine_ls_number_parameters     949
_refine_ls_number_restraints     7
_refine_ls_R_factor_all          0.0630
_refine_ls_R_factor_gt           0.0435
_refine_ls_wR_factor_ref         0.1092
_refine_ls_wR_factor_gt          0.0996
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_restrained_S_all      1.046
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1A Eu 0.64830(5) 0.51029(2) 0.78847(2) 0.02072(13) Uani 1 1 d . . . . .
Zn1A Zn 0.58700(12) 0.45478(7) 0.63652(5) 0.0193(3) Uani 1 1 d . . . . .
O1A O 0.9294(8) 0.4735(5) 0.8015(3) 0.0243(16) Uani 1 1 d . . . . .
O2A O 0.7495(7) 0.4557(4) 0.7047(3) 0.0200(15) Uani 1 1 d . . . . .
O3A O 0.4776(7) 0.4971(5) 0.7015(3) 0.0223(16) Uani 1 1 d . . . . .
O4A O 0.4121(8) 0.6064(5) 0.7710(4) 0.0275(17) Uani 1 1 d . . . . .
O5A O 0.6410(8) 0.3676(5) 0.7952(4) 0.0265(19) Uani 1 1 d . . . . .
O6A O 0.4501(9) 0.4306(5) 0.8217(4) 0.032(2) Uani 1 1 d . . . . .
O7A O 0.4454(9) 0.3026(5) 0.8180(4) 0.0307(19) Uani 1 1 d . . . . .
O8A O 0.5568(9) 0.5605(6) 0.8839(4) 0.036(2) Uani 1 1 d . . . . .
O9A O 0.7292(9) 0.4790(5) 0.8990(4) 0.0287(17) Uani 1 1 d . . . . .
O10A O 0.6233(10) 0.5160(6) 0.9747(4) 0.0417(19) Uani 1 1 d . . . . .
O11A O 0.7918(12) 0.6269(7) 0.8249(5) 0.057(3) Uani 1 1 d . . . . .
O12A O 0.7153(11) 0.6275(6) 0.7295(5) 0.045(2) Uani 1 1 d . . . . .
O13A O 0.8581(13) 0.7222(6) 0.7699(7) 0.068(4) Uani 1 1 d . . . . .
O14A O 0.6402(12) 0.5495(6) 0.5926(4) 0.045(2) Uani 1 1 d D . . . .
H14E H 0.634(15) 0.529(6) 0.560(3) 0.054 Uiso 1 1 d D U . . .
H14F H 0.674(16) 0.592(4) 0.590(5) 0.054 Uiso 1 1 d D U . . .
N1A N 0.6736(10) 0.3658(6) 0.5965(4) 0.022(2) Uani 1 1 d . . . . .
N2A N 0.3909(8) 0.4050(4) 0.5976(4) 0.0189(17) Uani 1 1 d . . . . .
N3A N 0.5099(9) 0.3655(6) 0.8111(4) 0.024(2) Uani 1 1 d . . . . .
N4A N 0.6335(10) 0.5173(7) 0.9190(4) 0.034(2) Uani 1 1 d . . . . .
N5A N 0.7906(14) 0.6618(8) 0.7740(7) 0.052(3) Uani 1 1 d . . . . .
C1A C 1.0356(12) 0.4935(7) 0.8533(5) 0.029(3) Uani 1 1 d . . . . .
H1AA H 1.1296 0.5098 0.8397 0.044 Uiso 1 1 calc R U . . .
H1AB H 1.0529 0.4479 0.8796 0.044 Uiso 1 1 calc R U . . .
H1AC H 0.9957 0.5362 0.8756 0.044 Uiso 1 1 calc R U . . .
C2A C 0.9737(10) 0.4185(6) 0.7601(5) 0.020(2) Uani 1 1 d . . . . .
C3A C 1.1050(11) 0.3803(7) 0.7675(5) 0.024(2) Uani 1 1 d . . . . .
H3A H 1.1759 0.3915 0.8013 0.029 Uiso 1 1 calc R U . . .
C4A C 1.1354(11) 0.3256(6) 0.7263(5) 0.022(2) Uani 1 1 d . . . . .
H4A H 1.2258 0.2970 0.7324 0.027 Uiso 1 1 calc R U . . .
C5A C 1.0364(10) 0.3119(6) 0.6765(5) 0.018(2) Uani 1 1 d . . . . .
H5A H 1.0596 0.2740 0.6482 0.022 Uiso 1 1 calc R U . . .
C6A C 0.8991(10) 0.3530(6) 0.6659(5) 0.019(2) Uani 1 1 d . . . . .
C7A C 0.8706(10) 0.4101(6) 0.7098(4) 0.0145(18) Uani 1 1 d . . . . .
C8A C 0.8014(10) 0.3344(6) 0.6126(5) 0.017(2) Uani 1 1 d . . . . .
H8A H 0.8337 0.2955 0.5870 0.021 Uiso 1 1 calc R U . . .
C9A C 0.5706(11) 0.3392(6) 0.5429(5) 0.028(2) Uani 1 1 d . . . . .
H9A H 0.5676 0.3802 0.5111 0.033 Uiso 1 1 calc R U . . .
C10A C 0.6154(12) 0.2612(7) 0.5159(5) 0.026(2) Uani 1 1 d . . . . .
C11A C 0.6108(13) 0.1938(7) 0.5479(6) 0.041(3) Uani 1 1 d . . . . .
H11A H 0.5779 0.1953 0.5866 0.050 Uiso 1 1 calc R U . . .
C12A C 0.6535(14) 0.1225(8) 0.5251(6) 0.049(3) Uani 1 1 d . . . . .
H12A H 0.6512 0.0763 0.5484 0.058 Uiso 1 1 calc R U . . .
C13A C 0.6969(17) 0.1196(9) 0.4714(7) 0.059(4) Uani 1 1 d . . . . .
H13A H 0.7274 0.0710 0.4567 0.071 Uiso 1 1 calc R U . . .
C14A C 0.7000(19) 0.1857(12) 0.4347(8) 0.068(5) Uani 1 1 d . . . . .
H14A H 0.7271 0.1826 0.3952 0.081 Uiso 1 1 calc R U . . .
C15A C 0.6603(14) 0.2576(8) 0.4601(6) 0.046(3) Uani 1 1 d . . . . .
H15A H 0.6652 0.3043 0.4376 0.055 Uiso 1 1 calc R U . . .
C16A C 0.4136(10) 0.3337(5) 0.5645(4) 0.0212(18) Uani 1 1 d . . . . .
H16A H 0.4200 0.2907 0.5947 0.025 Uiso 1 1 calc R U . . .
C17A C 0.2916(11) 0.3115(6) 0.5167(5) 0.023(2) Uani 1 1 d . . . . .
C18A C 0.2544(13) 0.3650(7) 0.4665(5) 0.029(2) Uani 1 1 d . . . . .
H18A H 0.3045 0.4135 0.4654 0.035 Uiso 1 1 calc R U . . .
C19A C 0.1441(13) 0.3440(6) 0.4200(5) 0.033(2) Uani 1 1 d . . . . .
H19A H 0.1225 0.3765 0.3858 0.039 Uiso 1 1 calc R U . . .
C20A C 0.0628(15) 0.2714(8) 0.4250(6) 0.044(3) Uani 1 1 d . . . . .
H20A H -0.0156 0.2572 0.3949 0.053 Uiso 1 1 calc R U . . .
C21A C 0.1003(18) 0.2248(10) 0.4726(8) 0.060(4) Uani 1 1 d . . . . .
H21A H 0.0489 0.1769 0.4751 0.072 Uiso 1 1 calc R U . . .
C22A C 0.2133(14) 0.2447(7) 0.5192(6) 0.038(3) Uani 1 1 d . . . . .
H22A H 0.2346 0.2107 0.5526 0.045 Uiso 1 1 calc R U . . .
C23A C 0.2610(10) 0.4284(5) 0.6060(4) 0.0162(18) Uani 1 1 d . . . . .
H23A H 0.1787 0.4016 0.5850 0.019 Uiso 1 1 calc R U . . .
C24A C 0.2276(10) 0.4933(6) 0.6456(5) 0.020(2) Uani 1 1 d . . . . .
C25A C 0.0846(10) 0.5338(6) 0.6378(5) 0.023(2) Uani 1 1 d . . . . .
H25A H 0.0130 0.5197 0.6050 0.027 Uiso 1 1 calc R U . . .
C26A C 0.0520(11) 0.5887(8) 0.6742(5) 0.028(2) Uani 1 1 d . . . . .
H26A H -0.0455 0.6099 0.6700 0.034 Uiso 1 1 calc R U . . .
C27A C 0.1576(10) 0.6164(6) 0.7191(5) 0.021(2) Uani 1 1 d . . . . .
H27A H 0.1333 0.6588 0.7434 0.026 Uiso 1 1 calc R U . . .
C28A C 0.2991(10) 0.5833(6) 0.7293(5) 0.020(2) Uani 1 1 d . . . . .
C29A C 0.3369(9) 0.5234(7) 0.6917(4) 0.0212(19) Uani 1 1 d . . . . .
C30A C 0.3937(14) 0.6772(7) 0.8001(6) 0.034(3) Uani 1 1 d . . . . .
H30D H 0.3321 0.7122 0.7729 0.052 Uiso 1 1 calc R U . . .
H30E H 0.4911 0.7012 0.8117 0.052 Uiso 1 1 calc R U . . .
H30F H 0.3449 0.6678 0.8362 0.052 Uiso 1 1 calc R U . . .
Eu1B Eu 0.66899(5) 0.52492(2) 0.29012(2) 0.01781(11) Uani 1 1 d . . . . .
Zn1B Zn 0.60713(11) 0.57342(7) 0.13651(5) 0.0165(2) Uani 1 1 d . . . . .
O1B O 0.9520(7) 0.5612(4) 0.3012(3) 0.0170(14) Uani 1 1 d . . . . .
O2B O 0.7690(7) 0.5783(4) 0.2061(3) 0.0191(15) Uani 1 1 d . . . . .
O3B O 0.4980(7) 0.5344(4) 0.2035(3) 0.0178(14) Uani 1 1 d . . . . .
N3B N 0.5355(10) 0.6753(6) 0.3095(4) 0.025(2) Uani 1 1 d . . . . .
O4B O 0.4364(7) 0.4320(4) 0.2784(3) 0.0173(14) Uani 1 1 d . . . . .
N4B N 0.6778(10) 0.5179(7) 0.4234(4) 0.033(2) Uani 1 1 d . . . . .
O5B O 0.6618(7) 0.6678(6) 0.2955(3) 0.0248(19) Uani 1 1 d . . . . .
N5B N 0.8107(10) 0.3749(6) 0.2826(5) 0.030(2) Uani 1 1 d . . . . .
O6B O 0.4700(8) 0.6102(5) 0.3205(4) 0.0264(18) Uani 1 1 d . . . . .
O7B O 0.4732(9) 0.7382(5) 0.3120(4) 0.0313(19) Uani 1 1 d . . . . .
O11B O 0.8177(9) 0.4096(5) 0.3300(4) 0.034(2) Uani 1 1 d . . . . .
O12B O 0.7346(9) 0.4031(6) 0.2368(4) 0.034(2) Uani 1 1 d . . . . .
O13B O 0.8768(12) 0.3116(7) 0.2766(6) 0.057(3) Uani 1 1 d . . . . .
O14B O 0.6831(9) 0.4797(5) 0.0949(4) 0.0309(19) Uani 1 1 d D . . . .
H14C H 0.679(15) 0.481(5) 0.0590(9) 0.037 Uiso 1 1 d D U . . .
H14D H 0.680(15) 0.4349(19) 0.105(4) 0.04(3) Uiso 1 1 d D . . . .
N1B N 0.6790(10) 0.6723(5) 0.1000(4) 0.0214(19) Uani 1 1 d . . . . .
N2B N 0.4071(8) 0.6065(4) 0.0899(3) 0.0176(16) Uani 1 1 d . . . . .
C1B C 1.0550(12) 0.5495(7) 0.3546(5) 0.026(2) Uani 1 1 d . . . . .
H1BA H 1.1512 0.5327 0.3433 0.038 Uiso 1 1 calc R U . . .
H1BB H 1.0163 0.5093 0.3796 0.038 Uiso 1 1 calc R U . . .
H1BC H 1.0675 0.5984 0.3772 0.038 Uiso 1 1 calc R U . . .
C2B C 0.9993(10) 0.6133(6) 0.2600(4) 0.0145(18) Uani 1 1 d . . . . .
C3B C 1.1284(9) 0.6551(6) 0.2648(5) 0.0159(19) Uani 1 1 d . . . . .
H3B H 1.1990 0.6486 0.2995 0.019 Uiso 1 1 calc R U . . .
C4B C 1.1593(10) 0.7074(6) 0.2197(5) 0.019(2) Uani 1 1 d . . . . .
H4B H 1.2522 0.7337 0.2224 0.023 Uiso 1 1 calc R U . . .
C5B C 1.0541(11) 0.7196(7) 0.1722(5) 0.024(2) Uani 1 1 d . . . . .
H5B H 1.0719 0.7577 0.1432 0.029 Uiso 1 1 calc R U . . .
C6B C 0.9202(10) 0.6782(6) 0.1644(5) 0.017(2) Uani 1 1 d . . . . .
C7B C 0.8906(10) 0.6220(6) 0.2073(5) 0.018(2) Uani 1 1 d . . . . .
C8B C 0.8057(11) 0.7067(6) 0.1177(5) 0.021(2) Uani 1 1 d . . . . .
H8B H 0.8251 0.7545 0.0987 0.026 Uiso 1 1 calc R U . . .
O8B O 0.7585(8) 0.5617(5) 0.3960(3) 0.0277(17) Uani 1 1 d . . . . .
C9B C 0.5576(10) 0.7180(5) 0.0634(4) 0.0214(19) Uani 1 1 d . . . . .
H9B H 0.5160 0.7558 0.0909 0.026 Uiso 1 1 calc R U . . .
O9B O 0.5849(10) 0.4711(5) 0.3917(4) 0.036(2) Uani 1 1 d . . . . .
C10B C 0.6095(11) 0.7630(7) 0.0133(5) 0.022(2) Uani 1 1 d . . . . .
O10B O 0.6839(11) 0.5079(8) 0.4780(4) 0.059(3) Uani 1 1 d . . . . .
C11B C 0.6044(13) 0.8458(7) 0.0167(6) 0.038(3) Uani 1 1 d . . . . .
H11B H 0.5724 0.8714 0.0504 0.046 Uiso 1 1 calc R U . . .
C12B C 0.6467(16) 0.8868(7) -0.0297(7) 0.048(3) Uani 1 1 d . . . . .
H12B H 0.6497 0.9419 -0.0260 0.058 Uiso 1 1 calc R U . . .
C13B C 0.6816(17) 0.8587(10) -0.0765(8) 0.055(4) Uani 1 1 d . . . . .
H13B H 0.7013 0.8924 -0.1081 0.066 Uiso 1 1 calc R U . . .
C14B C 0.6931(13) 0.7768(7) -0.0841(5) 0.037(2) Uani 1 1 d . . . . .
H14B H 0.7256 0.7546 -0.1191 0.045 Uiso 1 1 calc R U . . .
C15B C 0.6539(11) 0.7312(5) -0.0373(4) 0.026(2) Uani 1 1 d . . . . .
H15B H 0.6581 0.6761 -0.0407 0.031 Uiso 1 1 calc R U . . .
C16B C 0.4302(10) 0.6594(5) 0.0397(4) 0.0197(17) Uani 1 1 d . . . . .
H16B H 0.4689 0.6268 0.0080 0.024 Uiso 1 1 calc R U . . .
C17B C 0.2970(11) 0.7036(6) 0.0094(5) 0.024(2) Uani 1 1 d . . . . .
C18B C 0.2432(13) 0.7689(7) 0.0344(6) 0.035(3) Uani 1 1 d . . . . .
H18B H 0.2854 0.7851 0.0733 0.042 Uiso 1 1 calc R U . . .
C19B C 0.1286(15) 0.8115(8) 0.0040(7) 0.051(4) Uani 1 1 d . . . . .
H19B H 0.0913 0.8558 0.0226 0.062 Uiso 1 1 calc R U . . .
C20B C 0.070(2) 0.7912(11) -0.0504(10) 0.076(6) Uani 1 1 d . . . . .
H20B H 0.0007 0.8248 -0.0726 0.092 Uiso 1 1 calc R U . . .
C21B C 0.110(2) 0.7204(11) -0.0765(8) 0.069(5) Uani 1 1 d . . . . .
H21B H 0.0544 0.7000 -0.1117 0.083 Uiso 1 1 calc R U . . .
C22B C 0.2367(18) 0.6814(10) -0.0476(7) 0.056(4) Uani 1 1 d . . . . .
H22B H 0.2802 0.6399 -0.0674 0.067 Uiso 1 1 calc R U . . .
C23B C 0.2750(11) 0.5856(6) 0.1025(5) 0.022(2) Uani 1 1 d . . . . .
H23B H 0.1912 0.6073 0.0786 0.026 Uiso 1 1 calc R U . . .
C24B C 0.2479(9) 0.5342(6) 0.1482(4) 0.0158(18) Uani 1 1 d . . . . .
C25B C 0.1044(10) 0.5071(6) 0.1441(4) 0.0201(19) Uani 1 1 d . . . . .
H25B H 0.0299 0.5275 0.1147 0.024 Uiso 1 1 calc R U . . .
C26B C 0.0684(11) 0.4466(6) 0.1856(5) 0.022(2) Uani 1 1 d . . . . .
H26B H -0.0288 0.4251 0.1820 0.026 Uiso 1 1 calc R U . . .
C27B C 0.1785(12) 0.4200(6) 0.2312(5) 0.024(2) Uani 1 1 d . . . . .
H27B H 0.1568 0.3807 0.2587 0.028 Uiso 1 1 calc R U . . .
C28B C 0.3182(11) 0.4528(6) 0.2348(5) 0.021(2) Uani 1 1 d . . . . .
C29B C 0.3580(9) 0.5101(7) 0.1945(4) 0.0176(18) Uani 1 1 d . . . . .
C30B C 0.4255(12) 0.3565(7) 0.3083(5) 0.026(2) Uani 1 1 d . . . . .
H30A H 0.3669 0.3205 0.2809 0.038 Uiso 1 1 calc R U . . .
H30B H 0.3770 0.3634 0.3446 0.038 Uiso 1 1 calc R U . . .
H30C H 0.5254 0.3350 0.3191 0.038 Uiso 1 1 calc R U . . .
O1W O 0.6387(19) 0.6979(9) 0.6266(7) 0.097(3) Uani 1 1 d . . . . .
O2W O 0.6781(19) 0.3422(9) 0.1257(7) 0.097(3) Uani 1 1 d . . . . .


_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
Eu1A O3A 2.348(6) . ?
Eu1A O2A 2.380(7) . ?
Eu1A O6A 2.444(9) . ?
Eu1A O5A 2.454(9) . ?
Eu1A O11A 2.470(12) . ?
Eu1A O12A 2.521(11) . ?
Eu1A O8A 2.537(9) . ?
Eu1A O9A 2.554(8) . ?
Eu1A O1A 2.606(7) . ?
Eu1A O4A 2.693(8) . ?
Eu1A N3A 2.856(10) . ?
Eu1A N5A 2.938(14) . ?
Zn1A N1A 1.980(10) . ?
Zn1A O2A 1.988(7) . ?
Zn1A O14A 1.990(9) . ?
Zn1A O3A 1.995(8) . ?
Zn1A N2A 2.067(7) . ?
O1A C2A 1.417(13) . ?
O1A C1A 1.456(12) . ?
O2A C7A 1.341(11) . ?
O3A C29A 1.345(11) . ?
O4A C28A 1.360(12) . ?
O4A C30A 1.397(15) . ?
O5A N3A 1.282(12) . ?
O6A N3A 1.276(13) . ?
O7A N3A 1.246(12) . ?
O8A N4A 1.232(13) . ?
O9A N4A 1.217(13) . ?
O10A N4A 1.261(12) . ?
O11A N5A 1.289(17) . ?
O12A N5A 1.281(17) . ?
O13A N5A 1.212(17) . ?
O14A H14E 0.802(14) . ?
O14A H14F 0.802(14) . ?
N1A C8A 1.289(13) . ?
N1A C9A 1.500(13) . ?
N2A C23A 1.279(12) . ?
N2A C16A 1.459(11) . ?
C1A H1AA 0.9800 . ?
C1A H1AB 0.9800 . ?
C1A H1AC 0.9800 . ?
C2A C3A 1.350(14) . ?
C2A C7A 1.381(13) . ?
C3A C4A 1.369(16) . ?
C3A H3A 0.9500 . ?
C4A C5A 1.365(15) . ?
C4A H4A 0.9500 . ?
C5A C6A 1.425(13) . ?
C5A H5A 0.9500 . ?
C6A C8A 1.433(14) . ?
C6A C7A 1.434(15) . ?
C8A H8A 0.9500 . ?
C9A C10A 1.543(15) . ?
C9A C16A 1.560(14) . ?
C9A H9A 1.0000 . ?
C10A C15A 1.362(18) . ?
C10A C11A 1.365(18) . ?
C11A C12A 1.399(17) . ?
C11A H11A 0.9500 . ?
C12A C13A 1.31(2) . ?
C12A H12A 0.9500 . ?
C13A C14A 1.40(3) . ?
C13A H13A 0.9500 . ?
C14A C15A 1.42(2) . ?
C14A H14A 0.9500 . ?
C15A H15A 0.9500 . ?
C16A C17A 1.492(13) . ?
C16A H16A 1.0000 . ?
C17A C22A 1.353(16) . ?
C17A C18A 1.459(15) . ?
C18A C19A 1.400(15) . ?
C18A H18A 0.9500 . ?
C19A C20A 1.457(16) . ?
C19A H19A 0.9500 . ?
C20A C21A 1.344(19) . ?
C20A H20A 0.9500 . ?
C21A C22A 1.412(18) . ?
C21A H21A 0.9500 . ?
C22A H22A 0.9500 . ?
C23A C24A 1.479(14) . ?
C23A H23A 0.9500 . ?
C24A C29A 1.438(13) . ?
C24A C25A 1.462(13) . ?
C25A C26A 1.304(16) . ?
C25A H25A 0.9500 . ?
C26A C27A 1.385(15) . ?
C26A H26A 0.9500 . ?
C27A C28A 1.395(13) . ?
C27A H27A 0.9500 . ?
C28A C29A 1.398(15) . ?
C30A H30D 0.9800 . ?
C30A H30E 0.9800 . ?
C30A H30F 0.9800 . ?
Eu1B O3B 2.337(6) . ?
Eu1B O2B 2.371(8) . ?
Eu1B O5B 2.456(10) . ?
Eu1B O6B 2.481(8) . ?
Eu1B O8B 2.493(8) . ?
Eu1B O11B 2.497(8) . ?
Eu1B O12B 2.516(9) . ?
Eu1B O1B 2.621(6) . ?
Eu1B O4B 2.630(7) . ?
Eu1B O9B 2.654(9) . ?
Eu1B N5B 2.891(11) . ?
Eu1B N3B 2.905(10) . ?
Zn1B O2B 2.009(6) . ?
Zn1B O3B 2.012(7) . ?
Zn1B O14B 2.023(8) . ?
Zn1B N1B 2.025(10) . ?
Zn1B N2B 2.059(7) . ?
O1B C2B 1.390(12) . ?
O1B C1B 1.440(12) . ?
O2B C7B 1.330(11) . ?
O3B C29B 1.327(10) . ?
N3B O7B 1.222(13) . ?
N3B O5B 1.230(12) . ?
N3B O6B 1.302(12) . ?
O4B C28B 1.406(11) . ?
O4B C30B 1.467(13) . ?
N4B O10B 1.230(12) . ?
N4B O8B 1.260(14) . ?
N4B O9B 1.309(13) . ?
N5B O11B 1.215(14) . ?
N5B O13B 1.255(14) . ?
N5B O12B 1.261(13) . ?
O14B H14C 0.801(14) . ?
O14B H14D 0.801(14) . ?
N1B C8B 1.310(13) . ?
N1B C9B 1.509(12) . ?
N2B C23B 1.313(13) . ?
N2B C16B 1.479(11) . ?
C1B H1BA 0.9800 . ?
C1B H1BB 0.9800 . ?
C1B H1BC 0.9800 . ?
C2B C3B 1.366(12) . ?
C2B C7B 1.449(13) . ?
C3B C4B 1.406(14) . ?
C3B H3B 0.9500 . ?
C4B C5B 1.356(15) . ?
C4B H4B 0.9500 . ?
C5B C6B 1.398(14) . ?
C5B H5B 0.9500 . ?
C6B C7B 1.411(14) . ?
C6B C8B 1.465(13) . ?
C8B H8B 0.9500 . ?
C9B C10B 1.486(15) . ?
C9B C16B 1.573(12) . ?
C9B H9B 1.0000 . ?
C10B C15B 1.363(15) . ?
C10B C11B 1.425(16) . ?
C11B C12B 1.349(17) . ?
C11B H11B 0.9500 . ?
C12B C13B 1.23(2) . ?
C12B H12B 0.9500 . ?
C13B C14B 1.42(2) . ?
C13B H13B 0.9500 . ?
C14B C15B 1.389(14) . ?
C14B H14B 0.9500 . ?
C15B H15B 0.9500 . ?
C16B C17B 1.515(12) . ?
C16B H16B 1.0000 . ?
C17B C18B 1.369(15) . ?
C17B C22B 1.380(18) . ?
C18B C19B 1.379(16) . ?
C18B H18B 0.9500 . ?
C19B C20B 1.32(2) . ?
C19B H19B 0.9500 . ?
C20B C21B 1.41(2) . ?
C20B H20B 0.9500 . ?
C21B C22B 1.42(2) . ?
C21B H21B 0.9500 . ?
C22B H22B 0.9500 . ?
C23B C24B 1.396(14) . ?
C23B H23B 0.9500 . ?
C24B C25B 1.373(12) . ?
C24B C29B 1.411(12) . ?
C25B C26B 1.458(15) . ?
C25B H25B 0.9500 . ?
C26B C27B 1.415(14) . ?
C26B H26B 0.9500 . ?
C27B C28B 1.378(15) . ?
C27B H27B 0.9500 . ?
C28B C29B 1.413(16) . ?
C30B H30A 0.9800 . ?
C30B H30B 0.9800 . ?
C30B H30C 0.9800 . ?

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
O3A Eu1A O2A 65.4(2) . . ?
O3A Eu1A O6A 76.4(3) . . ?
O2A Eu1A O6A 112.8(3) . . ?
O3A Eu1A O5A 86.3(3) . . ?
O2A Eu1A O5A 70.8(3) . . ?
O6A Eu1A O5A 52.9(3) . . ?
O3A Eu1A O11A 128.3(3) . . ?
O2A Eu1A O11A 110.0(3) . . ?
O6A Eu1A O11A 136.8(3) . . ?
O5A Eu1A O11A 143.6(3) . . ?
O3A Eu1A O12A 79.5(3) . . ?
O2A Eu1A O12A 76.1(3) . . ?
O6A Eu1A O12A 147.0(3) . . ?
O5A Eu1A O12A 146.9(3) . . ?
O11A Eu1A O12A 51.4(4) . . ?
O3A Eu1A O8A 118.9(3) . . ?
O2A Eu1A O8A 174.7(3) . . ?
O6A Eu1A O8A 66.8(3) . . ?
O5A Eu1A O8A 105.8(3) . . ?
O11A Eu1A O8A 70.1(3) . . ?
O12A Eu1A O8A 107.2(3) . . ?
O3A Eu1A O9A 150.2(3) . . ?
O2A Eu1A O9A 126.2(2) . . ?
O6A Eu1A O9A 73.8(3) . . ?
O5A Eu1A O9A 74.8(3) . . ?
O11A Eu1A O9A 76.8(3) . . ?
O12A Eu1A O9A 128.1(3) . . ?
O8A Eu1A O9A 48.5(3) . . ?
O3A Eu1A O1A 127.3(2) . . ?
O2A Eu1A O1A 61.8(2) . . ?
O6A Eu1A O1A 125.1(3) . . ?
O5A Eu1A O1A 77.6(3) . . ?
O11A Eu1A O1A 72.0(3) . . ?
O12A Eu1A O1A 87.6(3) . . ?
O8A Eu1A O1A 113.8(2) . . ?
O9A Eu1A O1A 71.3(2) . . ?
O3A Eu1A O4A 60.5(2) . . ?
O2A Eu1A O4A 120.2(2) . . ?
O6A Eu1A O4A 77.7(3) . . ?
O5A Eu1A O4A 126.4(3) . . ?
O11A Eu1A O4A 85.9(3) . . ?
O12A Eu1A O4A 70.9(3) . . ?
O8A Eu1A O4A 65.1(3) . . ?
O9A Eu1A O4A 113.5(3) . . ?
O1A Eu1A O4A 156.0(3) . . ?
O3A Eu1A N3A 78.7(3) . . ?
O2A Eu1A N3A 91.0(3) . . ?
O6A Eu1A N3A 26.4(3) . . ?
O5A Eu1A N3A 26.6(3) . . ?
O11A Eu1A N3A 150.5(3) . . ?
O12A Eu1A N3A 157.8(3) . . ?
O8A Eu1A N3A 87.1(3) . . ?
O9A Eu1A N3A 74.0(3) . . ?
O1A Eu1A N3A 102.3(3) . . ?
O4A Eu1A N3A 101.5(3) . . ?
O3A Eu1A N5A 104.3(3) . . ?
O2A Eu1A N5A 92.6(4) . . ?
O6A Eu1A N5A 151.3(3) . . ?
O5A Eu1A N5A 154.8(3) . . ?
O11A Eu1A N5A 25.8(4) . . ?
O12A Eu1A N5A 25.7(4) . . ?
O8A Eu1A N5A 89.2(4) . . ?
O9A Eu1A N5A 102.4(4) . . ?
O1A Eu1A N5A 77.9(3) . . ?
O4A Eu1A N5A 78.1(3) . . ?
N3A Eu1A N5A 176.0(4) . . ?
N1A Zn1A O2A 93.3(3) . . ?
N1A Zn1A O14A 105.8(4) . . ?
O2A Zn1A O14A 99.9(4) . . ?
N1A Zn1A O3A 150.5(4) . . ?
O2A Zn1A O3A 79.9(3) . . ?
O14A Zn1A O3A 103.6(4) . . ?
N1A Zn1A N2A 81.9(3) . . ?
O2A Zn1A N2A 147.8(3) . . ?
O14A Zn1A N2A 112.1(4) . . ?
O3A Zn1A N2A 88.9(3) . . ?
N1A Zn1A Eu1A 128.6(3) . . ?
O2A Zn1A Eu1A 40.4(2) . . ?
O14A Zn1A Eu1A 103.8(3) . . ?
O3A Zn1A Eu1A 39.49(18) . . ?
N2A Zn1A Eu1A 123.2(2) . . ?
C2A O1A C1A 117.9(8) . . ?
C2A O1A Eu1A 116.0(5) . . ?
C1A O1A Eu1A 125.0(6) . . ?
C7A O2A Zn1A 125.7(6) . . ?
C7A O2A Eu1A 123.5(6) . . ?
Zn1A O2A Eu1A 106.8(3) . . ?
C29A O3A Zn1A 123.3(6) . . ?
C29A O3A Eu1A 128.2(6) . . ?
Zn1A O3A Eu1A 107.8(3) . . ?
C28A O4A C30A 116.9(8) . . ?
C28A O4A Eu1A 116.1(6) . . ?
C30A O4A Eu1A 127.0(6) . . ?
N3A O5A Eu1A 94.4(7) . . ?
N3A O6A Eu1A 95.1(6) . . ?
N4A O8A Eu1A 96.8(7) . . ?
N4A O9A Eu1A 96.4(6) . . ?
N5A O11A Eu1A 97.8(9) . . ?
N5A O12A Eu1A 95.6(9) . . ?
Zn1A O14A H14E 96(8) . . ?
Zn1A O14A H14F 155(8) . . ?
H14E O14A H14F 108(3) . . ?
C8A N1A C9A 123.2(9) . . ?
C8A N1A Zn1A 126.0(8) . . ?
C9A N1A Zn1A 110.8(6) . . ?
C23A N2A C16A 121.8(8) . . ?
C23A N2A Zn1A 124.6(7) . . ?
C16A N2A Zn1A 113.2(6) . . ?
O7A N3A O6A 121.3(9) . . ?
O7A N3A O5A 121.5(10) . . ?
O6A N3A O5A 117.2(9) . . ?
O7A N3A Eu1A 176.6(7) . . ?
O6A N3A Eu1A 58.5(5) . . ?
O5A N3A Eu1A 59.0(6) . . ?
O9A N4A O8A 117.5(10) . . ?
O9A N4A O10A 119.7(10) . . ?
O8A N4A O10A 122.6(10) . . ?
O9A N4A Eu1A 59.4(6) . . ?
O8A N4A Eu1A 58.7(6) . . ?
O10A N4A Eu1A 176.3(8) . . ?
O13A N5A O12A 124.0(15) . . ?
O13A N5A O11A 121.0(15) . . ?
O12A N5A O11A 115.0(13) . . ?
O13A N5A Eu1A 175.6(10) . . ?
O12A N5A Eu1A 58.6(7) . . ?
O11A N5A Eu1A 56.4(8) . . ?
O1A C1A H1AA 109.5 . . ?
O1A C1A H1AB 109.5 . . ?
H1AA C1A H1AB 109.5 . . ?
O1A C1A H1AC 109.5 . . ?
H1AA C1A H1AC 109.5 . . ?
H1AB C1A H1AC 109.5 . . ?
C3A C2A C7A 123.3(10) . . ?
C3A C2A O1A 123.9(9) . . ?
C7A C2A O1A 112.8(8) . . ?
C2A C3A C4A 119.7(9) . . ?
C2A C3A H3A 120.1 . . ?
C4A C3A H3A 120.1 . . ?
C5A C4A C3A 120.2(9) . . ?
C5A C4A H4A 119.9 . . ?
C3A C4A H4A 119.9 . . ?
C4A C5A C6A 121.7(10) . . ?
C4A C5A H5A 119.2 . . ?
C6A C5A H5A 119.2 . . ?
C5A C6A C8A 117.8(10) . . ?
C5A C6A C7A 116.8(9) . . ?
C8A C6A C7A 125.4(9) . . ?
O2A C7A C2A 118.3(9) . . ?
O2A C7A C6A 123.6(8) . . ?
C2A C7A C6A 118.1(8) . . ?
N1A C8A C6A 125.7(10) . . ?
N1A C8A H8A 117.2 . . ?
C6A C8A H8A 117.2 . . ?
N1A C9A C10A 114.3(8) . . ?
N1A C9A C16A 105.8(8) . . ?
C10A C9A C16A 111.3(8) . . ?
N1A C9A H9A 108.4 . . ?
C10A C9A H9A 108.4 . . ?
C16A C9A H9A 108.4 . . ?
C15A C10A C11A 118.4(12) . . ?
C15A C10A C9A 121.4(12) . . ?
C11A C10A C9A 120.1(10) . . ?
C10A C11A C12A 121.4(13) . . ?
C10A C11A H11A 119.3 . . ?
C12A C11A H11A 119.3 . . ?
C13A C12A C11A 119.7(14) . . ?
C13A C12A H12A 120.1 . . ?
C11A C12A H12A 120.1 . . ?
C12A C13A C14A 122.5(15) . . ?
C12A C13A H13A 118.8 . . ?
C14A C13A H13A 118.8 . . ?
C13A C14A C15A 116.3(15) . . ?
C13A C14A H14A 121.9 . . ?
C15A C14A H14A 121.9 . . ?
C10A C15A C14A 121.6(15) . . ?
C10A C15A H15A 119.2 . . ?
C14A C15A H15A 119.2 . . ?
N2A C16A C17A 116.2(8) . . ?
N2A C16A C9A 107.3(7) . . ?
C17A C16A C9A 114.6(8) . . ?
N2A C16A H16A 105.9 . . ?
C17A C16A H16A 105.9 . . ?
C9A C16A H16A 105.9 . . ?
C22A C17A C18A 119.5(10) . . ?
C22A C17A C16A 122.2(10) . . ?
C18A C17A C16A 118.3(9) . . ?
C19A C18A C17A 119.2(11) . . ?
C19A C18A H18A 120.4 . . ?
C17A C18A H18A 120.4 . . ?
C18A C19A C20A 119.0(11) . . ?
C18A C19A H19A 120.5 . . ?
C20A C19A H19A 120.5 . . ?
C21A C20A C19A 119.2(12) . . ?
C21A C20A H20A 120.4 . . ?
C19A C20A H20A 120.4 . . ?
C20A C21A C22A 122.3(14) . . ?
C20A C21A H21A 118.9 . . ?
C22A C21A H21A 118.9 . . ?
C17A C22A C21A 120.7(12) . . ?
C17A C22A H22A 119.7 . . ?
C21A C22A H22A 119.7 . . ?
N2A C23A C24A 125.7(8) . . ?
N2A C23A H23A 117.1 . . ?
C24A C23A H23A 117.1 . . ?
C29A C24A C25A 116.1(9) . . ?
C29A C24A C23A 121.9(8) . . ?
C25A C24A C23A 122.0(8) . . ?
C26A C25A C24A 122.2(10) . . ?
C26A C25A H25A 118.9 . . ?
C24A C25A H25A 118.9 . . ?
C25A C26A C27A 120.9(10) . . ?
C25A C26A H26A 119.5 . . ?
C27A C26A H26A 119.5 . . ?
C26A C27A C28A 121.2(10) . . ?
C26A C27A H27A 119.4 . . ?
C28A C27A H27A 119.4 . . ?
O4A C28A C27A 126.4(9) . . ?
O4A C28A C29A 114.2(8) . . ?
C27A C28A C29A 119.3(9) . . ?
O3A C29A C28A 116.5(9) . . ?
O3A C29A C24A 123.6(10) . . ?
C28A C29A C24A 119.9(8) . . ?
O4A C30A H30D 109.5 . . ?
O4A C30A H30E 109.5 . . ?
H30D C30A H30E 109.5 . . ?
O4A C30A H30F 109.5 . . ?
H30D C30A H30F 109.5 . . ?
H30E C30A H30F 109.5 . . ?
O3B Eu1B O2B 66.0(2) . . ?
O3B Eu1B O5B 87.3(2) . . ?
O2B Eu1B O5B 70.7(3) . . ?
O3B Eu1B O6B 75.9(3) . . ?
O2B Eu1B O6B 110.6(3) . . ?
O5B Eu1B O6B 51.2(2) . . ?
O3B Eu1B O8B 151.5(3) . . ?
O2B Eu1B O8B 123.1(3) . . ?
O5B Eu1B O8B 73.0(3) . . ?
O6B Eu1B O8B 75.7(3) . . ?
O3B Eu1B O11B 128.8(3) . . ?
O2B Eu1B O11B 110.4(3) . . ?
O5B Eu1B O11B 142.1(3) . . ?
O6B Eu1B O11B 138.4(3) . . ?
O8B Eu1B O11B 76.2(3) . . ?
O3B Eu1B O12B 80.5(3) . . ?
O2B Eu1B O12B 78.9(3) . . ?
O5B Eu1B O12B 149.6(3) . . ?
O6B Eu1B O12B 147.4(3) . . ?
O8B Eu1B O12B 126.5(3) . . ?
O11B Eu1B O12B 50.5(3) . . ?
O3B Eu1B O1B 127.2(2) . . ?
O2B Eu1B O1B 61.2(2) . . ?
O5B Eu1B O1B 77.9(2) . . ?
O6B Eu1B O1B 124.7(2) . . ?
O8B Eu1B O1B 69.5(2) . . ?
O11B Eu1B O1B 71.0(3) . . ?
O12B Eu1B O1B 87.5(3) . . ?
O3B Eu1B O4B 61.1(2) . . ?
O2B Eu1B O4B 122.3(2) . . ?
O5B Eu1B O4B 125.8(2) . . ?
O6B Eu1B O4B 77.6(2) . . ?
O8B Eu1B O4B 114.3(2) . . ?
O11B Eu1B O4B 86.9(2) . . ?
O12B Eu1B O4B 71.5(3) . . ?
O1B Eu1B O4B 156.4(2) . . ?
O3B Eu1B O9B 120.4(2) . . ?
O2B Eu1B O9B 173.4(3) . . ?
O5B Eu1B O9B 107.0(3) . . ?
O6B Eu1B O9B 71.0(3) . . ?
O8B Eu1B O9B 50.6(3) . . ?
O11B Eu1B O9B 67.4(3) . . ?
O12B Eu1B O9B 103.2(3) . . ?
O1B Eu1B O9B 112.4(2) . . ?
O4B Eu1B O9B 64.2(2) . . ?
O3B Eu1B N5B 105.5(3) . . ?
O2B Eu1B N5B 94.7(3) . . ?
O5B Eu1B N5B 155.0(3) . . ?
O6B Eu1B N5B 152.1(3) . . ?
O8B Eu1B N5B 100.7(3) . . ?
O11B Eu1B N5B 24.7(3) . . ?
O12B Eu1B N5B 25.8(3) . . ?
O1B Eu1B N5B 77.3(3) . . ?
O4B Eu1B N5B 79.1(2) . . ?
O9B Eu1B N5B 85.2(3) . . ?
O3B Eu1B N3B 79.4(3) . . ?
O2B Eu1B N3B 89.0(3) . . ?
O5B Eu1B N3B 24.8(2) . . ?
O6B Eu1B N3B 26.5(3) . . ?
O8B Eu1B N3B 74.1(3) . . ?
O11B Eu1B N3B 150.0(3) . . ?
O12B Eu1B N3B 159.4(3) . . ?
O1B Eu1B N3B 101.3(2) . . ?
O4B Eu1B N3B 102.1(2) . . ?
O9B Eu1B N3B 90.7(3) . . ?
N5B Eu1B N3B 174.7(3) . . ?
O2B Zn1B O3B 79.2(3) . . ?
O2B Zn1B O14B 97.7(3) . . ?
O3B Zn1B O14B 107.8(4) . . ?
O2B Zn1B N1B 92.2(3) . . ?
O3B Zn1B N1B 142.4(3) . . ?
O14B Zn1B N1B 109.6(4) . . ?
O2B Zn1B N2B 153.8(3) . . ?
O3B Zn1B N2B 89.4(3) . . ?
O14B Zn1B N2B 108.3(3) . . ?
N1B Zn1B N2B 82.5(3) . . ?
O2B Zn1B Eu1B 40.2(2) . . ?
O3B Zn1B Eu1B 39.19(17) . . ?
O14B Zn1B Eu1B 103.9(3) . . ?
N1B Zn1B Eu1B 124.9(3) . . ?
N2B Zn1B Eu1B 126.0(2) . . ?
C2B O1B C1B 115.0(7) . . ?
C2B O1B Eu1B 117.8(5) . . ?
C1B O1B Eu1B 125.0(6) . . ?
C7B O2B Zn1B 124.3(7) . . ?
C7B O2B Eu1B 126.7(6) . . ?
Zn1B O2B Eu1B 106.7(3) . . ?
C29B O3B Zn1B 122.5(6) . . ?
C29B O3B Eu1B 129.1(6) . . ?
Zn1B O3B Eu1B 107.9(3) . . ?
O7B N3B O5B 123.6(10) . . ?
O7B N3B O6B 121.7(10) . . ?
O5B N3B O6B 114.7(10) . . ?
O7B N3B Eu1B 173.8(7) . . ?
O5B N3B Eu1B 56.7(6) . . ?
O6B N3B Eu1B 58.3(5) . . ?
C28B O4B C30B 117.0(8) . . ?
C28B O4B Eu1B 116.7(6) . . ?
C30B O4B Eu1B 126.0(5) . . ?
O10B N4B O8B 127.7(11) . . ?
O10B N4B O9B 113.7(12) . . ?
O8B N4B O9B 118.3(9) . . ?
O10B N4B Eu1B 174.1(10) . . ?
O8B N4B Eu1B 55.4(5) . . ?
O9B N4B Eu1B 62.8(5) . . ?
N3B O5B Eu1B 98.5(7) . . ?
O11B N5B O13B 122.9(11) . . ?
O11B N5B O12B 119.3(10) . . ?
O13B N5B O12B 117.8(11) . . ?
O11B N5B Eu1B 59.2(6) . . ?
O13B N5B Eu1B 176.2(9) . . ?
O12B N5B Eu1B 60.2(6) . . ?
N3B O6B Eu1B 95.2(6) . . ?
N5B O11B Eu1B 96.1(7) . . ?
N5B O12B Eu1B 94.0(7) . . ?
Zn1B O14B H14C 117(7) . . ?
Zn1B O14B H14D 127(8) . . ?
H14C O14B H14D 108(3) . . ?
C8B N1B C9B 119.0(9) . . ?
C8B N1B Zn1B 124.6(8) . . ?
C9B N1B Zn1B 113.9(6) . . ?
C23B N2B C16B 123.3(8) . . ?
C23B N2B Zn1B 125.7(7) . . ?
C16B N2B Zn1B 111.0(5) . . ?
O1B C1B H1BA 109.5 . . ?
O1B C1B H1BB 109.5 . . ?
H1BA C1B H1BB 109.5 . . ?
O1B C1B H1BC 109.5 . . ?
H1BA C1B H1BC 109.5 . . ?
H1BB C1B H1BC 109.5 . . ?
C3B C2B O1B 127.9(8) . . ?
C3B C2B C7B 120.1(9) . . ?
O1B C2B C7B 111.9(8) . . ?
C2B C3B C4B 121.4(9) . . ?
C2B C3B H3B 119.3 . . ?
C4B C3B H3B 119.3 . . ?
C5B C4B C3B 118.7(9) . . ?
C5B C4B H4B 120.6 . . ?
C3B C4B H4B 120.6 . . ?
C4B C5B C6B 122.4(10) . . ?
C4B C5B H5B 118.8 . . ?
C6B C5B H5B 118.8 . . ?
C5B C6B C7B 119.8(9) . . ?
C5B C6B C8B 116.6(9) . . ?
C7B C6B C8B 122.6(9) . . ?
O2B C7B C6B 126.7(9) . . ?
O2B C7B C2B 115.9(9) . . ?
C6B C7B C2B 117.3(8) . . ?
N1B C8B C6B 125.8(10) . . ?
N1B C8B H8B 117.1 . . ?
C6B C8B H8B 117.1 . . ?
N4B O8B Eu1B 100.0(6) . . ?
C10B C9B N1B 113.8(8) . . ?
C10B C9B C16B 111.3(8) . . ?
N1B C9B C16B 107.9(7) . . ?
C10B C9B H9B 107.9 . . ?
N1B C9B H9B 107.9 . . ?
C16B C9B H9B 107.9 . . ?
N4B O9B Eu1B 91.1(6) . . ?
C15B C10B C11B 117.2(11) . . ?
C15B C10B C9B 125.1(10) . . ?
C11B C10B C9B 117.6(10) . . ?
C12B C11B C10B 117.7(12) . . ?
C12B C11B H11B 121.2 . . ?
C10B C11B H11B 121.2 . . ?
C13B C12B C11B 125.4(14) . . ?
C13B C12B H12B 117.3 . . ?
C11B C12B H12B 117.3 . . ?
C12B C13B C14B 121.4(15) . . ?
C12B C13B H13B 119.3 . . ?
C14B C13B H13B 119.3 . . ?
C15B C14B C13B 115.8(12) . . ?
C15B C14B H14B 122.1 . . ?
C13B C14B H14B 122.1 . . ?
C10B C15B C14B 122.2(10) . . ?
C10B C15B H15B 118.9 . . ?
C14B C15B H15B 118.9 . . ?
N2B C16B C17B 118.0(8) . . ?
N2B C16B C9B 107.5(7) . . ?
C17B C16B C9B 110.0(7) . . ?
N2B C16B H16B 106.9 . . ?
C17B C16B H16B 106.9 . . ?
C9B C16B H16B 106.9 . . ?
C18B C17B C22B 119.0(11) . . ?
C18B C17B C16B 122.1(9) . . ?
C22B C17B C16B 118.7(11) . . ?
C17B C18B C19B 121.0(12) . . ?
C17B C18B H18B 119.5 . . ?
C19B C18B H18B 119.5 . . ?
C20B C19B C18B 120.7(16) . . ?
C20B C19B H19B 119.7 . . ?
C18B C19B H19B 119.7 . . ?
C19B C20B C21B 121.2(15) . . ?
C19B C20B H20B 119.4 . . ?
C21B C20B H20B 119.4 . . ?
C20B C21B C22B 116.7(15) . . ?
C20B C21B H21B 121.7 . . ?
C22B C21B H21B 121.7 . . ?
C17B C22B C21B 120.1(15) . . ?
C17B C22B H22B 120.0 . . ?
C21B C22B H22B 120.0 . . ?
N2B C23B C24B 125.3(8) . . ?
N2B C23B H23B 117.4 . . ?
C24B C23B H23B 117.4 . . ?
C25B C24B C23B 114.5(8) . . ?
C25B C24B C29B 122.0(9) . . ?
C23B C24B C29B 123.5(8) . . ?
C24B C25B C26B 118.8(8) . . ?
C24B C25B H25B 120.6 . . ?
C26B C25B H25B 120.6 . . ?
C27B C26B C25B 119.9(9) . . ?
C27B C26B H26B 120.0 . . ?
C25B C26B H26B 120.0 . . ?
C28B C27B C26B 118.2(10) . . ?
C28B C27B H27B 120.9 . . ?
C26B C27B H27B 120.9 . . ?
C27B C28B O4B 123.6(10) . . ?
C27B C28B C29B 123.5(9) . . ?
O4B C28B C29B 113.0(8) . . ?
O3B C29B C24B 126.7(9) . . ?
O3B C29B C28B 115.7(8) . . ?
C24B C29B C28B 117.5(8) . . ?
O4B C30B H30A 109.5 . . ?
O4B C30B H30B 109.5 . . ?
H30A C30B H30B 109.5 . . ?
O4B C30B H30C 109.5 . . ?
H30A C30B H30C 109.5 . . ?
H30B C30B H30C 109.5 . . ?

_refine_diff_density_max         2.672
_refine_diff_density_min         -2.547
_refine_diff_density_rms         0.191

_shelxl_version_number           2012-9


_exptl_crystal_preparation       'Magnetic properties'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mo_I06VB60_0m_b
_database_code_depnum_ccdc_archive 'CCDC 1853428'
_audit_update_record             
;
2018-07-04 deposited with the CCDC.
2018-11-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2012
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C31 H30 Eu N5 O14 Zn, C H4 O'
_chemical_formula_sum            'C32 H34 Eu N5 O15 Zn'
_chemical_formula_weight         945.97

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   9.2811(4)
_cell_length_b                   16.2336(8)
_cell_length_c                   23.4071(11)
_cell_angle_alpha                90
_cell_angle_beta                 95.232(2)
_cell_angle_gamma                90
_cell_volume                     3512.0(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9274
_cell_measurement_theta_min      2.51
_cell_measurement_theta_max      30.51

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.789
_exptl_crystal_F_000             1896
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.389
_exptl_crystal_size_mid          0.082
_exptl_crystal_size_min          0.059
_exptl_absorpt_coefficient_mu    2.532
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6578
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   microfocus
_diffrn_measurement_device_type  'D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            149772
_diffrn_reflns_av_unetI/netI     0.0513
_diffrn_reflns_av_R_equivalents  0.0682
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         2.151
_diffrn_reflns_theta_max         30.592
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             21530
_reflns_number_gt                17911
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.935
_reflns_Friedel_fraction_max     0.995
_reflns_Friedel_fraction_full    0.999

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'XT-2014 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0343P)²+0.7425P]
 where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 7598 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   0.015(5)
_chemical_absolute_configuration rm
_refine_ls_number_reflns         21530
_refine_ls_number_parameters     984
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0552
_refine_ls_R_factor_gt           0.0359
_refine_ls_wR_factor_ref         0.0754
_refine_ls_wR_factor_gt          0.0667
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_restrained_S_all      1.082
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1A Eu 0.68591(3) 0.48850(2) 0.79409(2) 0.01829(8) Uani 1 1 d . . . . .
Zn1A Zn 0.63949(6) 0.53870(5) 0.64801(3) 0.01567(16) Uani 1 1 d . . . . .
O1A O 0.9573(4) 0.5315(3) 0.80568(18) 0.0205(10) Uani 1 1 d . . . . .
O2A O 0.7880(4) 0.5481(3) 0.71462(19) 0.0234(11) Uani 1 1 d . . . . .
O3A O 0.5380(4) 0.4823(3) 0.70794(17) 0.0209(10) Uani 1 1 d . . . . .
O4A O 0.4755(4) 0.3737(3) 0.77827(19) 0.0218(10) Uani 1 1 d . . . . .
O5A O 0.5592(6) 0.4499(4) 0.8836(2) 0.0490(17) Uani 1 1 d . . . . .
O6A O 0.6023(5) 0.5065(5) 0.96689(19) 0.0428(14) Uani 1 1 d . . . . .
O7A O 0.7382(4) 0.5321(3) 0.8982(2) 0.0304(12) Uani 1 1 d . . . . .
O8A O 0.4781(5) 0.5791(4) 0.8091(3) 0.059(2) Uani 1 1 d . . . . .
O9A O 0.6785(5) 0.6412(4) 0.8016(3) 0.0486(18) Uani 1 1 d . . . . .
O10A O 0.4856(7) 0.7129(4) 0.8080(2) 0.0466(17) Uani 1 1 d . . . . .
O11A O 0.8175(5) 0.3770(3) 0.84668(19) 0.0298(12) Uani 1 1 d . . . . .
O12A O 0.8001(4) 0.3634(3) 0.7547(2) 0.0263(11) Uani 1 1 d . . . . .
O13A O 0.9507(5) 0.2864(3) 0.8075(2) 0.0355(13) Uani 1 1 d . . . . .
O14A O 0.7044(6) 0.4431(3) 0.6026(2) 0.0320(13) Uani 1 1 d . . . . .
H14C H 0.743(8) 0.452(5) 0.581(3) 0.038 Uiso 1 1 d . U . . .
N1A N 0.7215(5) 0.6365(3) 0.6082(2) 0.0152(10) Uani 1 1 d . . . . .
N2A N 0.4466(5) 0.5877(3) 0.6147(2) 0.0158(10) Uani 1 1 d . . . . .
N3A N 0.6321(6) 0.4969(5) 0.9169(2) 0.0307(13) Uani 1 1 d . . . . .
N4A N 0.5467(6) 0.6478(4) 0.8057(3) 0.0304(14) Uani 1 1 d . . . . .
N5A N 0.8598(6) 0.3402(4) 0.8024(3) 0.0257(14) Uani 1 1 d . . . . .
C1A C 1.0560(6) 0.5190(5) 0.8562(3) 0.034(2) Uani 1 1 d . . . . .
H1AA H 1.1494 0.5000 0.8448 0.051 Uiso 1 1 calc R U . . .
H1AB H 1.0162 0.4776 0.8808 0.051 Uiso 1 1 calc R U . . .
H1AC H 1.0695 0.5711 0.8772 0.051 Uiso 1 1 calc R U . . .
C2A C 1.0045(6) 0.5862(4) 0.7651(3) 0.0162(13) Uani 1 1 d . . . . .
C3A C 1.1339(6) 0.6268(4) 0.7705(3) 0.0188(14) Uani 1 1 d . . . . .
H3A H 1.2015 0.6171 0.8028 0.023 Uiso 1 1 calc R U . . .
C4A C 1.1660(6) 0.6827(4) 0.7281(3) 0.0185(13) Uani 1 1 d . . . . .
H4A H 1.2556 0.7114 0.7315 0.022 Uiso 1 1 calc R U . . .
C5A C 1.0682(6) 0.6961(4) 0.6816(3) 0.0183(13) Uani 1 1 d . . . . .
H5A H 1.0895 0.7359 0.6538 0.022 Uiso 1 1 calc R U . . .
C6A C 0.9371(5) 0.6523(4) 0.6738(3) 0.0159(13) Uani 1 1 d . . . . .
C7A C 0.9053(6) 0.5949(4) 0.7168(3) 0.0178(14) Uani 1 1 d . . . . .
C8A C 0.8393(5) 0.6730(4) 0.6241(3) 0.0165(12) Uani 1 1 d . . . . .
H8A H 0.8658 0.7180 0.6012 0.020 Uiso 1 1 calc R U . . .
C9A C 0.6183(5) 0.6609(3) 0.5586(2) 0.0132(9) Uani 1 1 d . . . . .
H9A H 0.6167 0.6154 0.5297 0.016 Uiso 1 1 calc R U . . .
C10A C 0.6561(5) 0.7398(4) 0.5287(2) 0.0154(12) Uani 1 1 d . . . . .
C11A C 0.6551(6) 0.8159(5) 0.5567(3) 0.0212(14) Uani 1 1 d . . . . .
H11A H 0.6275 0.8194 0.5947 0.025 Uiso 1 1 calc R U . . .
C12A C 0.6947(6) 0.8863(4) 0.5282(3) 0.0220(13) Uani 1 1 d . . . . .
H12A H 0.6930 0.9381 0.5471 0.026 Uiso 1 1 calc R U . . .
C13A C 0.7362(6) 0.8829(4) 0.4736(3) 0.0284(14) Uani 1 1 d . . . . .
H13A H 0.7640 0.9316 0.4549 0.034 Uiso 1 1 calc R U . . .
C14A C 0.7372(6) 0.8073(4) 0.4457(3) 0.0276(15) Uani 1 1 d . . . . .
H14A H 0.7649 0.8042 0.4076 0.033 Uiso 1 1 calc R U . . .
C15A C 0.6977(6) 0.7364(4) 0.4735(3) 0.0191(12) Uani 1 1 d . . . . .
H15A H 0.6991 0.6849 0.4544 0.023 Uiso 1 1 calc R U . . .
C16A C 0.4656(5) 0.6645(3) 0.5815(2) 0.0126(9) Uani 1 1 d . . . . .
H16A H 0.4675 0.7112 0.6094 0.015 Uiso 1 1 calc R U . . .
C17A C 0.3436(6) 0.6819(4) 0.5354(3) 0.0178(12) Uani 1 1 d . . . . .
C18A C 0.2436(6) 0.7431(4) 0.5438(3) 0.0212(13) Uani 1 1 d . . . . .
H18A H 0.2567 0.7765 0.5772 0.025 Uiso 1 1 calc R U . . .
C19A C 0.1262(7) 0.7565(5) 0.5050(3) 0.0310(16) Uani 1 1 d . . . . .
H19A H 0.0563 0.7969 0.5123 0.037 Uiso 1 1 calc R U . . .
C20A C 0.1104(7) 0.7110(5) 0.4553(3) 0.0316(16) Uani 1 1 d . . . . .
H20A H 0.0303 0.7208 0.4279 0.038 Uiso 1 1 calc R U . . .
C21A C 0.2099(6) 0.6513(4) 0.4451(3) 0.0292(15) Uani 1 1 d . . . . .
H21A H 0.1983 0.6201 0.4107 0.035 Uiso 1 1 calc R U . . .
C22A C 0.3288(6) 0.6363(4) 0.4853(3) 0.0241(14) Uani 1 1 d . . . . .
H22A H 0.3981 0.5954 0.4781 0.029 Uiso 1 1 calc R U . . .
C23A C 0.3220(6) 0.5616(4) 0.6251(2) 0.0142(11) Uani 1 1 d . . . . .
H23A H 0.2402 0.5893 0.6068 0.017 Uiso 1 1 calc R U . . .
C24A C 0.2943(5) 0.4928(5) 0.6628(2) 0.0155(12) Uani 1 1 d . . . . .
C25A C 0.1521(6) 0.4632(4) 0.6615(3) 0.0187(13) Uani 1 1 d . . . . .
H25A H 0.0795 0.4866 0.6352 0.022 Uiso 1 1 calc R U . . .
C26A C 0.1151(6) 0.4014(4) 0.6974(3) 0.0221(14) Uani 1 1 d . . . . .
H26A H 0.0186 0.3813 0.6951 0.026 Uiso 1 1 calc R U . . .
C27A C 0.2208(6) 0.3683(4) 0.7371(3) 0.0203(14) Uani 1 1 d . . . . .
H27A H 0.1967 0.3252 0.7620 0.024 Uiso 1 1 calc R U . . .
C28A C 0.3586(6) 0.3981(4) 0.7401(3) 0.0212(14) Uani 1 1 d . . . . .
C29A C 0.3999(5) 0.4601(4) 0.7023(2) 0.0170(13) Uani 1 1 d . . . . .
C30A C 0.4493(8) 0.3048(5) 0.8155(4) 0.0307(19) Uani 1 1 d . . . . .
H30A H 0.3703 0.3187 0.8389 0.046 Uiso 1 1 calc R U . . .
H30B H 0.5372 0.2931 0.8406 0.046 Uiso 1 1 calc R U . . .
H30C H 0.4225 0.2562 0.7921 0.046 Uiso 1 1 calc R U . . .
C31A C 0.6489(9) 0.3631(5) 0.6013(4) 0.047(3) Uani 1 1 d . . . . .
H31A H 0.6318 0.3446 0.5614 0.070 Uiso 1 1 calc R U . . .
H31B H 0.5575 0.3624 0.6192 0.070 Uiso 1 1 calc R U . . .
H31C H 0.7184 0.3261 0.6223 0.070 Uiso 1 1 calc R U . . .
Eu1B Eu 0.67066(3) 0.50519(2) 0.29724(2) 0.01713(8) Uani 1 1 d . . . . .
Zn1B Zn 0.62584(6) 0.45680(5) 0.15005(3) 0.01506(16) Uani 1 1 d . . . . .
O1B O 0.4594(4) 0.6147(3) 0.28478(19) 0.0222(10) Uani 1 1 d . . . . .
O2B O 0.5222(4) 0.5095(3) 0.21077(16) 0.0200(10) Uani 1 1 d . . . . .
O3B O 0.7734(4) 0.4480(3) 0.21711(18) 0.0204(10) Uani 1 1 d . . . . .
O4B O 0.9427(4) 0.4635(3) 0.30784(17) 0.0197(10) Uani 1 1 d . . . . .
O5B O 0.7284(4) 0.4574(3) 0.40014(19) 0.0238(11) Uani 1 1 d . . . . .
O6B O 0.6067(4) 0.4877(4) 0.47263(17) 0.0289(11) Uani 1 1 d . . . . .
O7B O 0.5500(5) 0.5435(4) 0.38874(19) 0.0308(12) Uani 1 1 d . . . . .
O8B O 0.6586(5) 0.3530(4) 0.3013(2) 0.0321(13) Uani 1 1 d . . . . .
O9B O 0.4629(4) 0.4176(3) 0.3146(2) 0.0280(11) Uani 1 1 d . . . . .
O10B O 0.4604(5) 0.2824(3) 0.3098(2) 0.0273(11) Uani 1 1 d . . . . .
O11B O 0.8027(5) 0.6158(3) 0.35125(19) 0.0271(11) Uani 1 1 d . . . . .
O12B O 0.7834(4) 0.6317(3) 0.25937(19) 0.0234(10) Uani 1 1 d . . . . .
O13B O 0.9368(5) 0.7078(3) 0.3131(2) 0.0320(12) Uani 1 1 d . . . . .
O14B O 0.7043(5) 0.5490(3) 0.1046(2) 0.0296(12) Uani 1 1 d . . . . .
H14D H 0.7795 0.5473 0.0872 0.036 Uiso 1 1 calc R U . . .
N1B N 0.4325(5) 0.4244(3) 0.1068(2) 0.0172(11) Uani 1 1 d . . . . .
N2B N 0.6906(5) 0.3499(3) 0.1173(2) 0.0162(10) Uani 1 1 d . . . . .
N3B N 0.6263(4) 0.4958(4) 0.4219(2) 0.0201(11) Uani 1 1 d . . . . .
N4B N 0.8438(5) 0.6545(4) 0.3078(2) 0.0213(12) Uani 1 1 d . . . . .
N5B N 0.5246(5) 0.3484(4) 0.3075(2) 0.0208(12) Uani 1 1 d . . . . .
C1B C 0.4421(8) 0.6865(5) 0.3179(3) 0.0275(17) Uani 1 1 d . . . . .
H1D H 0.4049 0.7313 0.2928 0.041 Uiso 1 1 calc R U . . .
H1E H 0.5359 0.7025 0.3375 0.041 Uiso 1 1 calc R U . . .
H1F H 0.3738 0.6753 0.3465 0.041 Uiso 1 1 calc R U . . .
C2B C 0.3465(6) 0.5923(4) 0.2461(2) 0.0170(13) Uani 1 1 d . . . . .
C3B C 0.2071(6) 0.6224(4) 0.2449(3) 0.0232(15) Uani 1 1 d . . . . .
H3B H 0.1836 0.6631 0.2717 0.028 Uiso 1 1 calc R U . . .
C4B C 0.1006(6) 0.5925(4) 0.2040(3) 0.0219(14) Uani 1 1 d . . . . .
H4B H 0.0045 0.6129 0.2030 0.026 Uiso 1 1 calc R U . . .
C5B C 0.1346(5) 0.5335(4) 0.1651(3) 0.0200(14) Uani 1 1 d . . . . .
H5B H 0.0608 0.5126 0.1382 0.024 Uiso 1 1 calc R U . . .
C6B C 0.2781(5) 0.5035(5) 0.1645(2) 0.0164(12) Uani 1 1 d . . . . .
C7B C 0.3847(5) 0.5339(4) 0.2056(2) 0.0160(13) Uani 1 1 d . . . . .
C8B C 0.3061(6) 0.4464(4) 0.1189(3) 0.0217(14) Uani 1 1 d . . . . .
H8B H 0.2251 0.4238 0.0965 0.026 Uiso 1 1 calc R U . . .
C9B C 0.4614(6) 0.3708(4) 0.0581(2) 0.0223(11) Uani 1 1 d . . . . .
H9B H 0.5085 0.4056 0.0298 0.027 Uiso 1 1 calc R U . . .
C10B C 0.3311(6) 0.3306(4) 0.0265(3) 0.0237(15) Uani 1 1 d . . . . .
C11B C 0.2926(7) 0.3550(4) -0.0299(3) 0.0259(15) Uani 1 1 d . . . . .
H11B H 0.3455 0.3972 -0.0469 0.031 Uiso 1 1 calc R U . . .
C12B C 0.1747(7) 0.3169(5) -0.0614(3) 0.040(2) Uani 1 1 d . . . . .
H12B H 0.1496 0.3326 -0.1002 0.048 Uiso 1 1 calc R U . . .
C13B C 0.0959(7) 0.2576(6) -0.0371(4) 0.048(2) Uani 1 1 d . . . . .
H13B H 0.0166 0.2320 -0.0587 0.058 Uiso 1 1 calc R U . . .
C14B C 0.1320(7) 0.2350(6) 0.0191(4) 0.045(2) Uani 1 1 d . . . . .
H14B H 0.0757 0.1945 0.0361 0.054 Uiso 1 1 calc R U . . .
C15B C 0.2496(8) 0.2705(5) 0.0516(4) 0.0343(19) Uani 1 1 d . . . . .
H15B H 0.2738 0.2540 0.0902 0.041 Uiso 1 1 calc R U . . .
C16B C 0.5725(6) 0.3064(3) 0.0813(2) 0.0195(11) Uani 1 1 d . . . . .
H16B H 0.5226 0.2698 0.1077 0.023 Uiso 1 1 calc R U . . .
C17B C 0.6281(6) 0.2515(4) 0.0360(3) 0.0191(13) Uani 1 1 d . . . . .
C18B C 0.6700(6) 0.2809(4) -0.0152(3) 0.0266(14) Uani 1 1 d . . . . .
H18B H 0.6610 0.3381 -0.0235 0.032 Uiso 1 1 calc R U . . .
C19B C 0.7244(7) 0.2297(5) -0.0543(3) 0.0335(16) Uani 1 1 d . . . . .
H19B H 0.7507 0.2510 -0.0897 0.040 Uiso 1 1 calc R U . . .
C20B C 0.7412(8) 0.1463(5) -0.0422(3) 0.045(2) Uani 1 1 d . . . . .
H20B H 0.7830 0.1111 -0.0686 0.054 Uiso 1 1 calc R U . . .
C21B C 0.6976(10) 0.1144(5) 0.0079(4) 0.054(3) Uani 1 1 d . . . . .
H21B H 0.7050 0.0570 0.0155 0.064 Uiso 1 1 calc R U . . .
C22B C 0.6417(8) 0.1683(5) 0.0479(3) 0.0344(18) Uani 1 1 d . . . . .
H22B H 0.6133 0.1473 0.0831 0.041 Uiso 1 1 calc R U . . .
C23B C 0.8112(6) 0.3140(4) 0.1321(3) 0.0170(12) Uani 1 1 d . . . . .
H23B H 0.8321 0.2652 0.1121 0.020 Uiso 1 1 calc R U . . .
C24B C 0.9190(5) 0.3422(4) 0.1771(2) 0.0146(12) Uani 1 1 d . . . . .
C25B C 1.0518(5) 0.2988(4) 0.1839(3) 0.0169(13) Uani 1 1 d . . . . .
H25B H 1.0717 0.2585 0.1562 0.020 Uiso 1 1 calc R U . . .
C26B C 1.1512(6) 0.3133(4) 0.2288(3) 0.0228(15) Uani 1 1 d . . . . .
H26B H 1.2421 0.2861 0.2310 0.027 Uiso 1 1 calc R U . . .
C27B C 1.1199(6) 0.3687(4) 0.2723(3) 0.0188(14) Uani 1 1 d . . . . .
H27B H 1.1876 0.3771 0.3047 0.023 Uiso 1 1 calc R U . . .
C28B C 0.9912(6) 0.4104(4) 0.2674(3) 0.0178(14) Uani 1 1 d . . . . .
C29B C 0.8896(5) 0.4010(4) 0.2185(2) 0.0144(12) Uani 1 1 d . . . . .
C30B C 1.0412(6) 0.4760(5) 0.3579(3) 0.0257(16) Uani 1 1 d . . . . .
H30D H 1.1312 0.5002 0.3467 0.039 Uiso 1 1 calc R U . . .
H30E H 1.0624 0.4231 0.3769 0.039 Uiso 1 1 calc R U . . .
H30F H 0.9975 0.5134 0.3843 0.039 Uiso 1 1 calc R U . . .
C31B C 0.6479(10) 0.6296(6) 0.1022(5) 0.069(4) Uani 1 1 d . . . . .
H31D H 0.5995 0.6399 0.0639 0.104 Uiso 1 1 calc R U . . .
H31E H 0.7269 0.6692 0.1102 0.104 Uiso 1 1 calc R U . . .
H31F H 0.5782 0.6357 0.1310 0.104 Uiso 1 1 calc R U . . .
O1W O 0.8943(5) 0.4586(3) 0.5233(2) 0.0297(12) Uani 1 1 d . . . . .
H1W H 0.8250 0.4485 0.4986 0.036 Uiso 1 1 calc R U . . .
C1W C 0.9572(7) 0.5358(5) 0.5109(3) 0.0286(17) Uani 1 1 d . . . . .
H1WA H 1.0432 0.5267 0.4904 0.043 Uiso 1 1 calc R U . . .
H1WB H 0.9849 0.5652 0.5468 0.043 Uiso 1 1 calc R U . . .
H1WC H 0.8868 0.5688 0.4870 0.043 Uiso 1 1 calc R U . . .
O2W O 0.8879(5) 0.5315(4) 0.0247(2) 0.0396(14) Uani 1 1 d . . . . .
H2W H 0.8237 0.5423 -0.0019 0.048 Uiso 1 1 calc R U . . .
C2W C 0.9528(8) 0.4549(6) 0.0136(4) 0.037(2) Uani 1 1 d . . . . .
H2WA H 0.8925 0.4256 -0.0164 0.055 Uiso 1 1 calc R U . . .
H2WB H 0.9617 0.4218 0.0488 0.055 Uiso 1 1 calc R U . . .
H2WC H 1.0490 0.4644 0.0008 0.055 Uiso 1 1 calc R U . . .


_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
Eu1A O3A 2.336(4) . ?
Eu1A O2A 2.370(4) . ?
Eu1A O11A 2.451(5) . ?
Eu1A O8A 2.476(5) . ?
Eu1A O9A 2.486(7) . ?
Eu1A O12A 2.505(5) . ?
Eu1A O7A 2.542(5) . ?
Eu1A O5A 2.572(5) . ?
Eu1A O1A 2.604(4) . ?
Eu1A O4A 2.700(4) . ?
Eu1A N5A 2.894(6) . ?
Eu1A N4A 2.915(6) . ?
Zn1A O3A 1.983(4) . ?
Zn1A O2A 1.991(4) . ?
Zn1A O14A 2.005(5) . ?
Zn1A N1A 2.024(5) . ?
Zn1A N2A 2.047(5) . ?
O1A C2A 1.400(7) . ?
O1A C1A 1.442(7) . ?
O2A C7A 1.324(7) . ?
O3A C29A 1.326(6) . ?
O4A C28A 1.398(8) . ?
O4A C30A 1.452(9) . ?
O5A N3A 1.246(8) . ?
O6A N3A 1.237(6) . ?
O7A N3A 1.251(7) . ?
O8A N4A 1.291(9) . ?
O9A N4A 1.241(7) . ?
O10A N4A 1.203(8) . ?
O11A N5A 1.289(7) . ?
O12A N5A 1.258(8) . ?
O13A N5A 1.214(8) . ?
O14A C31A 1.397(9) . ?
O14A H14C 0.66(7) . ?
N1A C8A 1.269(7) . ?
N1A C9A 1.490(7) . ?
N2A C23A 1.276(7) . ?
N2A C16A 1.487(7) . ?
C1A H1AA 0.9800 . ?
C1A H1AB 0.9800 . ?
C1A H1AC 0.9800 . ?
C2A C3A 1.366(8) . ?
C2A C7A 1.398(9) . ?
C3A C4A 1.396(9) . ?
C3A H3A 0.9500 . ?
C4A C5A 1.370(9) . ?
C4A H4A 0.9500 . ?
C5A C6A 1.406(8) . ?
C5A H5A 0.9500 . ?
C6A C7A 1.421(9) . ?
C6A C8A 1.450(8) . ?
C8A H8A 0.9500 . ?
C9A C10A 1.516(7) . ?
C9A C16A 1.562(6) . ?
C9A H9A 1.0000 . ?
C10A C15A 1.383(8) . ?
C10A C11A 1.398(9) . ?
C11A C12A 1.389(9) . ?
C11A H11A 0.9500 . ?
C12A C13A 1.371(9) . ?
C12A H12A 0.9500 . ?
C13A C14A 1.389(9) . ?
C13A H13A 0.9500 . ?
C14A C15A 1.389(8) . ?
C14A H14A 0.9500 . ?
C15A H15A 0.9500 . ?
C16A C17A 1.518(8) . ?
C16A H16A 1.0000 . ?
C17A C22A 1.384(9) . ?
C17A C18A 1.386(9) . ?
C18A C19A 1.372(9) . ?
C18A H18A 0.9500 . ?
C19A C20A 1.374(11) . ?
C19A H19A 0.9500 . ?
C20A C21A 1.374(10) . ?
C20A H20A 0.9500 . ?
C21A C22A 1.404(9) . ?
C21A H21A 0.9500 . ?
C22A H22A 0.9500 . ?
C23A C24A 1.461(9) . ?
C23A H23A 0.9500 . ?
C24A C29A 1.389(8) . ?
C24A C25A 1.402(7) . ?
C25A C26A 1.372(9) . ?
C25A H25A 0.9500 . ?
C26A C27A 1.396(9) . ?
C26A H26A 0.9500 . ?
C27A C28A 1.363(8) . ?
C27A H27A 0.9500 . ?
C28A C29A 1.416(8) . ?
C30A H30A 0.9800 . ?
C30A H30B 0.9800 . ?
C30A H30C 0.9800 . ?
C31A H31A 0.9800 . ?
C31A H31B 0.9800 . ?
C31A H31C 0.9800 . ?
Eu1B O2B 2.344(4) . ?
Eu1B O3B 2.370(4) . ?
Eu1B O11B 2.458(5) . ?
Eu1B O9B 2.459(4) . ?
Eu1B O8B 2.475(6) . ?
Eu1B O12B 2.503(5) . ?
Eu1B O5B 2.541(5) . ?
Eu1B O7B 2.582(4) . ?
Eu1B O4B 2.604(4) . ?
Eu1B O1B 2.642(4) . ?
Eu1B N5B 2.904(6) . ?
Eu1B N4B 2.906(6) . ?
Zn1B O2B 1.982(4) . ?
Zn1B O3B 1.992(4) . ?
Zn1B N2B 2.011(5) . ?
Zn1B O14B 2.011(5) . ?
Zn1B N1B 2.046(5) . ?
O1B C2B 1.370(7) . ?
O1B C1B 1.418(9) . ?
O2B C7B 1.330(6) . ?
O3B C29B 1.319(7) . ?
O4B C28B 1.386(7) . ?
O4B C30B 1.434(7) . ?
O5B N3B 1.279(6) . ?
O6B N3B 1.225(6) . ?
O7B N3B 1.266(7) . ?
O8B N5B 1.267(6) . ?
O9B N5B 1.278(7) . ?
O10B N5B 1.230(8) . ?
O11B N4B 1.282(7) . ?
O12B N4B 1.273(7) . ?
O13B N4B 1.220(7) . ?
O14B C31B 1.408(10) . ?
O14B H14D 0.8400 . ?
N1B C8B 1.282(7) . ?
N1B C9B 1.478(7) . ?
N2B C23B 1.281(7) . ?
N2B C16B 1.497(7) . ?
C1B H1D 0.9800 . ?
C1B H1E 0.9800 . ?
C1B H1F 0.9800 . ?
C2B C3B 1.381(8) . ?
C2B C7B 1.409(8) . ?
C3B C4B 1.399(9) . ?
C3B H3B 0.9500 . ?
C4B C5B 1.377(9) . ?
C4B H4B 0.9500 . ?
C5B C6B 1.420(7) . ?
C5B H5B 0.9500 . ?
C6B C7B 1.405(8) . ?
C6B C8B 1.455(9) . ?
C8B H8B 0.9500 . ?
C9B C10B 1.508(8) . ?
C9B C16B 1.533(7) . ?
C9B H9B 1.0000 . ?
C10B C11B 1.393(9) . ?
C10B C15B 1.396(10) . ?
C11B C12B 1.407(9) . ?
C11B H11B 0.9500 . ?
C12B C13B 1.365(12) . ?
C12B H12B 0.9500 . ?
C13B C14B 1.376(12) . ?
C13B H13B 0.9500 . ?
C14B C15B 1.396(11) . ?
C14B H14B 0.9500 . ?
C15B H15B 0.9500 . ?
C16B C17B 1.512(8) . ?
C16B H16B 1.0000 . ?
C17B C18B 1.378(9) . ?
C17B C22B 1.383(10) . ?
C18B C19B 1.367(9) . ?
C18B H18B 0.9500 . ?
C19B C20B 1.389(11) . ?
C19B H19B 0.9500 . ?
C20B C21B 1.376(12) . ?
C20B H20B 0.9500 . ?
C21B C22B 1.414(11) . ?
C21B H21B 0.9500 . ?
C22B H22B 0.9500 . ?
C23B C24B 1.460(8) . ?
C23B H23B 0.9500 . ?
C24B C29B 1.404(8) . ?
C24B C25B 1.416(7) . ?
C25B C26B 1.355(9) . ?
C25B H25B 0.9500 . ?
C26B C27B 1.408(9) . ?
C26B H26B 0.9500 . ?
C27B C28B 1.369(8) . ?
C27B H27B 0.9500 . ?
C28B C29B 1.423(8) . ?
C30B H30D 0.9800 . ?
C30B H30E 0.9800 . ?
C30B H30F 0.9800 . ?
C31B H31D 0.9800 . ?
C31B H31E 0.9800 . ?
C31B H31F 0.9800 . ?
O1W C1W 1.425(9) . ?
O1W H1W 0.8400 . ?
C1W H1WA 0.9800 . ?
C1W H1WB 0.9800 . ?
C1W H1WC 0.9800 . ?
O2W C2W 1.415(10) . ?
O2W H2W 0.8400 . ?
C2W H2WA 0.9800 . ?
C2W H2WB 0.9800 . ?
C2W H2WC 0.9800 . ?

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
O3A Eu1A O2A 65.51(13) . . ?
O3A Eu1A O11A 128.96(18) . . ?
O2A Eu1A O11A 118.62(16) . . ?
O3A Eu1A O8A 75.13(19) . . ?
O2A Eu1A O8A 103.9(2) . . ?
O11A Eu1A O8A 136.6(2) . . ?
O3A Eu1A O9A 94.9(2) . . ?
O2A Eu1A O9A 70.35(18) . . ?
O11A Eu1A O9A 135.74(19) . . ?
O8A Eu1A O9A 51.03(18) . . ?
O3A Eu1A O12A 83.25(16) . . ?
O2A Eu1A O12A 80.15(17) . . ?
O11A Eu1A O12A 51.58(16) . . ?
O8A Eu1A O12A 153.49(17) . . ?
O9A Eu1A O12A 148.13(15) . . ?
O3A Eu1A O7A 152.30(14) . . ?
O2A Eu1A O7A 125.70(16) . . ?
O11A Eu1A O7A 71.42(16) . . ?
O8A Eu1A O7A 77.40(19) . . ?
O9A Eu1A O7A 70.03(19) . . ?
O12A Eu1A O7A 121.94(16) . . ?
O3A Eu1A O5A 114.61(15) . . ?
O2A Eu1A O5A 169.8(2) . . ?
O11A Eu1A O5A 69.81(18) . . ?
O8A Eu1A O5A 67.0(2) . . ?
O9A Eu1A O5A 99.7(2) . . ?
O12A Eu1A O5A 110.1(2) . . ?
O7A Eu1A O5A 49.33(16) . . ?
O3A Eu1A O1A 126.03(12) . . ?
O2A Eu1A O1A 61.32(14) . . ?
O11A Eu1A O1A 73.29(16) . . ?
O8A Eu1A O1A 125.79(17) . . ?
O9A Eu1A O1A 75.99(15) . . ?
O12A Eu1A O1A 79.51(15) . . ?
O7A Eu1A O1A 74.16(13) . . ?
O5A Eu1A O1A 119.35(15) . . ?
O3A Eu1A O4A 59.42(14) . . ?
O2A Eu1A O4A 120.68(14) . . ?
O11A Eu1A O4A 83.15(16) . . ?
O8A Eu1A O4A 82.30(17) . . ?
O9A Eu1A O4A 132.32(15) . . ?
O12A Eu1A O4A 73.47(14) . . ?
O7A Eu1A O4A 113.35(14) . . ?
O5A Eu1A O4A 64.21(16) . . ?
O1A Eu1A O4A 151.64(15) . . ?
O3A Eu1A N5A 107.60(17) . . ?
O2A Eu1A N5A 97.57(16) . . ?
O11A Eu1A N5A 26.26(15) . . ?
O8A Eu1A N5A 157.1(2) . . ?
O9A Eu1A N5A 147.46(16) . . ?
O12A Eu1A N5A 25.67(15) . . ?
O7A Eu1A N5A 96.38(17) . . ?
O5A Eu1A N5A 92.09(19) . . ?
O1A Eu1A N5A 71.81(15) . . ?
O4A Eu1A N5A 80.06(14) . . ?
O3A Eu1A N4A 83.57(17) . . ?
O2A Eu1A N4A 85.60(17) . . ?
O11A Eu1A N4A 144.39(17) . . ?
O8A Eu1A N4A 26.11(18) . . ?
O9A Eu1A N4A 24.98(16) . . ?
O12A Eu1A N4A 163.64(17) . . ?
O7A Eu1A N4A 73.18(17) . . ?
O5A Eu1A N4A 84.3(2) . . ?
O1A Eu1A N4A 100.67(17) . . ?
O4A Eu1A N4A 107.68(17) . . ?
N5A Eu1A N4A 168.74(18) . . ?
O3A Zn1A O2A 79.70(16) . . ?
O3A Zn1A O14A 101.7(2) . . ?
O2A Zn1A O14A 104.8(2) . . ?
O3A Zn1A N1A 155.5(2) . . ?
O2A Zn1A N1A 92.15(19) . . ?
O14A Zn1A N1A 102.69(19) . . ?
O3A Zn1A N2A 89.63(17) . . ?
O2A Zn1A N2A 142.0(2) . . ?
O14A Zn1A N2A 113.2(2) . . ?
N1A Zn1A N2A 82.65(19) . . ?
O3A Zn1A Eu1A 39.32(11) . . ?
O2A Zn1A Eu1A 40.42(11) . . ?
O14A Zn1A Eu1A 108.74(16) . . ?
N1A Zn1A Eu1A 127.85(15) . . ?
N2A Zn1A Eu1A 119.19(13) . . ?
C2A O1A C1A 115.5(5) . . ?
C2A O1A Eu1A 117.3(3) . . ?
C1A O1A Eu1A 125.7(3) . . ?
C7A O2A Zn1A 125.6(4) . . ?
C7A O2A Eu1A 126.2(4) . . ?
Zn1A O2A Eu1A 106.59(16) . . ?
C29A O3A Zn1A 124.9(4) . . ?
C29A O3A Eu1A 125.8(3) . . ?
Zn1A O3A Eu1A 108.13(16) . . ?
C28A O4A C30A 116.0(5) . . ?
C28A O4A Eu1A 113.7(4) . . ?
C30A O4A Eu1A 127.4(4) . . ?
N3A O5A Eu1A 95.6(4) . . ?
N3A O7A Eu1A 96.9(4) . . ?
N4A O8A Eu1A 96.3(4) . . ?
N4A O9A Eu1A 97.2(5) . . ?
N5A O11A Eu1A 96.4(4) . . ?
N5A O12A Eu1A 94.7(4) . . ?
C31A O14A Zn1A 127.1(4) . . ?
C31A O14A H14C 114(7) . . ?
Zn1A O14A H14C 117(7) . . ?
C8A N1A C9A 125.4(5) . . ?
C8A N1A Zn1A 125.6(4) . . ?
C9A N1A Zn1A 109.0(3) . . ?
C23A N2A C16A 122.1(5) . . ?
C23A N2A Zn1A 125.0(4) . . ?
C16A N2A Zn1A 112.5(3) . . ?
O6A N3A O5A 120.9(6) . . ?
O6A N3A O7A 121.6(7) . . ?
O5A N3A O7A 117.5(5) . . ?
O6A N3A Eu1A 174.4(6) . . ?
O5A N3A Eu1A 59.7(3) . . ?
O7A N3A Eu1A 58.3(3) . . ?
O10A N4A O9A 123.5(8) . . ?
O10A N4A O8A 121.3(6) . . ?
O9A N4A O8A 115.2(6) . . ?
O10A N4A Eu1A 176.9(6) . . ?
O9A N4A Eu1A 57.8(4) . . ?
O8A N4A Eu1A 57.6(3) . . ?
O13A N5A O12A 123.4(6) . . ?
O13A N5A O11A 120.9(6) . . ?
O12A N5A O11A 115.7(6) . . ?
O13A N5A Eu1A 169.8(4) . . ?
O12A N5A Eu1A 59.6(3) . . ?
O11A N5A Eu1A 57.3(3) . . ?
O1A C1A H1AA 109.5 . . ?
O1A C1A H1AB 109.5 . . ?
H1AA C1A H1AB 109.5 . . ?
O1A C1A H1AC 109.5 . . ?
H1AA C1A H1AC 109.5 . . ?
H1AB C1A H1AC 109.5 . . ?
C3A C2A C7A 122.4(6) . . ?
C3A C2A O1A 124.8(6) . . ?
C7A C2A O1A 112.9(5) . . ?
C2A C3A C4A 119.4(6) . . ?
C2A C3A H3A 120.3 . . ?
C4A C3A H3A 120.3 . . ?
C5A C4A C3A 119.9(5) . . ?
C5A C4A H4A 120.0 . . ?
C3A C4A H4A 120.0 . . ?
C4A C5A C6A 121.7(6) . . ?
C4A C5A H5A 119.2 . . ?
C6A C5A H5A 119.2 . . ?
C5A C6A C7A 118.3(6) . . ?
C5A C6A C8A 117.2(6) . . ?
C7A C6A C8A 124.4(5) . . ?
O2A C7A C2A 116.8(6) . . ?
O2A C7A C6A 124.9(6) . . ?
C2A C7A C6A 118.2(5) . . ?
N1A C8A C6A 125.9(6) . . ?
N1A C8A H8A 117.1 . . ?
C6A C8A H8A 117.1 . . ?
N1A C9A C10A 115.1(4) . . ?
N1A C9A C16A 106.3(4) . . ?
C10A C9A C16A 112.5(4) . . ?
N1A C9A H9A 107.6 . . ?
C10A C9A H9A 107.6 . . ?
C16A C9A H9A 107.6 . . ?
C15A C10A C11A 119.1(6) . . ?
C15A C10A C9A 119.5(5) . . ?
C11A C10A C9A 121.3(5) . . ?
C12A C11A C10A 119.3(6) . . ?
C12A C11A H11A 120.3 . . ?
C10A C11A H11A 120.3 . . ?
C13A C12A C11A 121.5(7) . . ?
C13A C12A H12A 119.2 . . ?
C11A C12A H12A 119.2 . . ?
C12A C13A C14A 119.3(6) . . ?
C12A C13A H13A 120.3 . . ?
C14A C13A H13A 120.3 . . ?
C15A C14A C13A 119.8(6) . . ?
C15A C14A H14A 120.1 . . ?
C13A C14A H14A 120.1 . . ?
C10A C15A C14A 120.9(6) . . ?
C10A C15A H15A 119.6 . . ?
C14A C15A H15A 119.6 . . ?
N2A C16A C17A 114.2(4) . . ?
N2A C16A C9A 107.6(4) . . ?
C17A C16A C9A 113.9(4) . . ?
N2A C16A H16A 106.9 . . ?
C17A C16A H16A 106.9 . . ?
C9A C16A H16A 106.9 . . ?
C22A C17A C18A 119.2(6) . . ?
C22A C17A C16A 120.9(6) . . ?
C18A C17A C16A 119.9(5) . . ?
C19A C18A C17A 121.4(6) . . ?
C19A C18A H18A 119.3 . . ?
C17A C18A H18A 119.3 . . ?
C18A C19A C20A 119.6(7) . . ?
C18A C19A H19A 120.2 . . ?
C20A C19A H19A 120.2 . . ?
C19A C20A C21A 120.3(6) . . ?
C19A C20A H20A 119.9 . . ?
C21A C20A H20A 119.9 . . ?
C20A C21A C22A 120.4(6) . . ?
C20A C21A H21A 119.8 . . ?
C22A C21A H21A 119.8 . . ?
C17A C22A C21A 119.1(6) . . ?
C17A C22A H22A 120.4 . . ?
C21A C22A H22A 120.4 . . ?
N2A C23A C24A 125.6(5) . . ?
N2A C23A H23A 117.2 . . ?
C24A C23A H23A 117.2 . . ?
C29A C24A C25A 119.3(6) . . ?
C29A C24A C23A 122.8(5) . . ?
C25A C24A C23A 117.7(5) . . ?
C26A C25A C24A 121.6(6) . . ?
C26A C25A H25A 119.2 . . ?
C24A C25A H25A 119.2 . . ?
C25A C26A C27A 119.3(5) . . ?
C25A C26A H26A 120.4 . . ?
C27A C26A H26A 120.4 . . ?
C28A C27A C26A 119.8(6) . . ?
C28A C27A H27A 120.1 . . ?
C26A C27A H27A 120.1 . . ?
C27A C28A O4A 127.1(6) . . ?
C27A C28A C29A 121.7(6) . . ?
O4A C28A C29A 111.2(5) . . ?
O3A C29A C24A 125.4(5) . . ?
O3A C29A C28A 116.4(5) . . ?
C24A C29A C28A 118.2(5) . . ?
O4A C30A H30A 109.5 . . ?
O4A C30A H30B 109.5 . . ?
H30A C30A H30B 109.5 . . ?
O4A C30A H30C 109.5 . . ?
H30A C30A H30C 109.5 . . ?
H30B C30A H30C 109.5 . . ?
O14A C31A H31A 109.5 . . ?
O14A C31A H31B 109.5 . . ?
H31A C31A H31B 109.5 . . ?
O14A C31A H31C 109.5 . . ?
H31A C31A H31C 109.5 . . ?
H31B C31A H31C 109.5 . . ?
O2B Eu1B O3B 64.89(13) . . ?
O2B Eu1B O11B 130.42(18) . . ?
O3B Eu1B O11B 118.41(15) . . ?
O2B Eu1B O9B 75.64(16) . . ?
O3B Eu1B O9B 106.41(16) . . ?
O11B Eu1B O9B 134.34(15) . . ?
O2B Eu1B O8B 92.19(18) . . ?
O3B Eu1B O8B 70.27(17) . . ?
O11B Eu1B O8B 137.02(17) . . ?
O9B Eu1B O8B 51.51(14) . . ?
O2B Eu1B O12B 84.34(16) . . ?
O3B Eu1B O12B 80.21(16) . . ?
O11B Eu1B O12B 51.53(15) . . ?
O9B Eu1B O12B 153.14(15) . . ?
O8B Eu1B O12B 148.69(14) . . ?
O2B Eu1B O5B 152.20(15) . . ?
O3B Eu1B O5B 124.43(15) . . ?
O11B Eu1B O5B 71.54(16) . . ?
O9B Eu1B O5B 76.56(15) . . ?
O8B Eu1B O5B 70.43(16) . . ?
O12B Eu1B O5B 121.82(15) . . ?
O2B Eu1B O7B 116.34(13) . . ?
O3B Eu1B O7B 170.85(18) . . ?
O11B Eu1B O7B 68.34(15) . . ?
O9B Eu1B O7B 66.17(16) . . ?
O8B Eu1B O7B 100.58(17) . . ?
O12B Eu1B O7B 108.85(16) . . ?
O5B Eu1B O7B 49.99(14) . . ?
O2B Eu1B O4B 125.37(12) . . ?
O3B Eu1B O4B 61.12(13) . . ?
O11B Eu1B O4B 72.98(15) . . ?
O9B Eu1B O4B 127.02(15) . . ?
O8B Eu1B O4B 77.53(14) . . ?
O12B Eu1B O4B 79.28(14) . . ?
O5B Eu1B O4B 73.23(12) . . ?
O7B Eu1B O4B 118.28(14) . . ?
O2B Eu1B O1B 60.82(15) . . ?
O3B Eu1B O1B 121.62(14) . . ?
O11B Eu1B O1B 83.99(15) . . ?
O9B Eu1B O1B 79.75(15) . . ?
O8B Eu1B O1B 129.77(15) . . ?
O12B Eu1B O1B 74.87(14) . . ?
O5B Eu1B O1B 113.59(13) . . ?
O7B Eu1B O1B 63.64(15) . . ?
O4B Eu1B O1B 152.68(15) . . ?
O2B Eu1B N5B 81.72(17) . . ?
O3B Eu1B N5B 86.96(15) . . ?
O11B Eu1B N5B 144.31(15) . . ?
O9B Eu1B N5B 25.92(14) . . ?
O8B Eu1B N5B 25.70(14) . . ?
O12B Eu1B N5B 164.10(15) . . ?
O5B Eu1B N5B 73.34(16) . . ?
O7B Eu1B N5B 84.32(16) . . ?
O4B Eu1B N5B 102.73(15) . . ?
O1B Eu1B N5B 104.56(15) . . ?
O2B Eu1B N4B 109.00(17) . . ?
O3B Eu1B N4B 97.76(15) . . ?
O11B Eu1B N4B 25.98(15) . . ?
O9B Eu1B N4B 154.67(14) . . ?
O8B Eu1B N4B 148.85(14) . . ?
O12B Eu1B N4B 25.88(15) . . ?
O5B Eu1B N4B 96.12(16) . . ?
O7B Eu1B N4B 90.39(16) . . ?
O4B Eu1B N4B 71.62(15) . . ?
O1B Eu1B N4B 81.22(14) . . ?
N5B Eu1B N4B 169.28(16) . . ?
O2B Zn1B O3B 79.04(15) . . ?
O2B Zn1B N2B 145.9(2) . . ?
O3B Zn1B N2B 91.76(19) . . ?
O2B Zn1B O14B 106.3(2) . . ?
O3B Zn1B O14B 102.4(2) . . ?
N2B Zn1B O14B 107.8(2) . . ?
O2B Zn1B N1B 90.25(17) . . ?
O3B Zn1B N1B 151.6(2) . . ?
N2B Zn1B N1B 82.4(2) . . ?
O14B Zn1B N1B 105.8(2) . . ?
O2B Zn1B Eu1B 39.08(11) . . ?
O3B Zn1B Eu1B 39.97(11) . . ?
N2B Zn1B Eu1B 123.57(15) . . ?
O14B Zn1B Eu1B 109.61(15) . . ?
N1B Zn1B Eu1B 124.13(12) . . ?
C2B O1B C1B 117.5(5) . . ?
C2B O1B Eu1B 114.2(4) . . ?
C1B O1B Eu1B 127.8(4) . . ?
C7B O2B Zn1B 126.0(4) . . ?
C7B O2B Eu1B 124.8(3) . . ?
Zn1B O2B Eu1B 108.70(16) . . ?
C29B O3B Zn1B 124.2(4) . . ?
C29B O3B Eu1B 126.5(4) . . ?
Zn1B O3B Eu1B 107.35(16) . . ?
C28B O4B C30B 115.1(4) . . ?
C28B O4B Eu1B 118.0(3) . . ?
C30B O4B Eu1B 125.6(3) . . ?
N3B O5B Eu1B 97.4(3) . . ?
N3B O7B Eu1B 95.8(3) . . ?
N5B O8B Eu1B 96.4(4) . . ?
N5B O9B Eu1B 96.8(3) . . ?
N4B O11B Eu1B 96.9(4) . . ?
N4B O12B Eu1B 95.0(4) . . ?
C31B O14B Zn1B 124.1(4) . . ?
C31B O14B H14D 109.5 . . ?
Zn1B O14B H14D 126.1 . . ?
C8B N1B C9B 124.6(5) . . ?
C8B N1B Zn1B 126.7(4) . . ?
C9B N1B Zn1B 108.7(3) . . ?
C23B N2B C16B 120.9(5) . . ?
C23B N2B Zn1B 125.0(4) . . ?
C16B N2B Zn1B 113.2(3) . . ?
O6B N3B O7B 122.4(5) . . ?
O6B N3B O5B 121.0(6) . . ?
O7B N3B O5B 116.6(4) . . ?
O6B N3B Eu1B 176.7(6) . . ?
O7B N3B Eu1B 59.3(3) . . ?
O5B N3B Eu1B 57.5(3) . . ?
O13B N4B O12B 123.1(6) . . ?
O13B N4B O11B 121.7(6) . . ?
O12B N4B O11B 115.2(5) . . ?
O13B N4B Eu1B 168.6(4) . . ?
O12B N4B Eu1B 59.1(3) . . ?
O11B N4B Eu1B 57.1(3) . . ?
O10B N5B O8B 122.7(6) . . ?
O10B N5B O9B 122.4(5) . . ?
O8B N5B O9B 114.8(6) . . ?
O10B N5B Eu1B 177.6(5) . . ?
O8B N5B Eu1B 57.9(4) . . ?
O9B N5B Eu1B 57.2(3) . . ?
O1B C1B H1D 109.5 . . ?
O1B C1B H1E 109.5 . . ?
H1D C1B H1E 109.5 . . ?
O1B C1B H1F 109.5 . . ?
H1D C1B H1F 109.5 . . ?
H1E C1B H1F 109.5 . . ?
O1B C2B C3B 125.4(6) . . ?
O1B C2B C7B 113.5(5) . . ?
C3B C2B C7B 121.1(6) . . ?
C2B C3B C4B 119.5(6) . . ?
C2B C3B H3B 120.2 . . ?
C4B C3B H3B 120.2 . . ?
C5B C4B C3B 120.3(5) . . ?
C5B C4B H4B 119.9 . . ?
C3B C4B H4B 119.9 . . ?
C4B C5B C6B 121.1(6) . . ?
C4B C5B H5B 119.4 . . ?
C6B C5B H5B 119.4 . . ?
C7B C6B C5B 118.4(6) . . ?
C7B C6B C8B 124.4(5) . . ?
C5B C6B C8B 117.1(5) . . ?
O2B C7B C6B 124.5(5) . . ?
O2B C7B C2B 115.9(5) . . ?
C6B C7B C2B 119.5(5) . . ?
N1B C8B C6B 124.5(6) . . ?
N1B C8B H8B 117.7 . . ?
C6B C8B H8B 117.7 . . ?
N1B C9B C10B 116.1(4) . . ?
N1B C9B C16B 106.9(4) . . ?
C10B C9B C16B 111.2(5) . . ?
N1B C9B H9B 107.4 . . ?
C10B C9B H9B 107.4 . . ?
C16B C9B H9B 107.4 . . ?
C11B C10B C15B 119.7(6) . . ?
C11B C10B C9B 117.8(6) . . ?
C15B C10B C9B 122.5(6) . . ?
C10B C11B C12B 119.5(7) . . ?
C10B C11B H11B 120.3 . . ?
C12B C11B H11B 120.3 . . ?
C13B C12B C11B 120.8(8) . . ?
C13B C12B H12B 119.6 . . ?
C11B C12B H12B 119.6 . . ?
C12B C13B C14B 119.6(7) . . ?
C12B C13B H13B 120.2 . . ?
C14B C13B H13B 120.2 . . ?
C13B C14B C15B 121.3(8) . . ?
C13B C14B H14B 119.3 . . ?
C15B C14B H14B 119.3 . . ?
C14B C15B C10B 119.1(8) . . ?
C14B C15B H15B 120.5 . . ?
C10B C15B H15B 120.5 . . ?
N2B C16B C17B 113.2(4) . . ?
N2B C16B C9B 108.1(4) . . ?
C17B C16B C9B 114.5(5) . . ?
N2B C16B H16B 106.8 . . ?
C17B C16B H16B 106.8 . . ?
C9B C16B H16B 106.8 . . ?
C18B C17B C22B 119.1(6) . . ?
C18B C17B C16B 123.2(6) . . ?
C22B C17B C16B 117.7(6) . . ?
C19B C18B C17B 121.4(7) . . ?
C19B C18B H18B 119.3 . . ?
C17B C18B H18B 119.3 . . ?
C18B C19B C20B 119.8(7) . . ?
C18B C19B H19B 120.1 . . ?
C20B C19B H19B 120.1 . . ?
C21B C20B C19B 120.4(7) . . ?
C21B C20B H20B 119.8 . . ?
C19B C20B H20B 119.8 . . ?
C20B C21B C22B 119.0(8) . . ?
C20B C21B H21B 120.5 . . ?
C22B C21B H21B 120.5 . . ?
C17B C22B C21B 120.2(7) . . ?
C17B C22B H22B 119.9 . . ?
C21B C22B H22B 119.9 . . ?
N2B C23B C24B 125.3(6) . . ?
N2B C23B H23B 117.4 . . ?
C24B C23B H23B 117.4 . . ?
C29B C24B C25B 118.9(6) . . ?
C29B C24B C23B 123.2(5) . . ?
C25B C24B C23B 117.2(5) . . ?
C26B C25B C24B 121.6(6) . . ?
C26B C25B H25B 119.2 . . ?
C24B C25B H25B 119.2 . . ?
C25B C26B C27B 120.1(5) . . ?
C25B C26B H26B 120.0 . . ?
C27B C26B H26B 120.0 . . ?
C28B C27B C26B 119.4(6) . . ?
C28B C27B H27B 120.3 . . ?
C26B C27B H27B 120.3 . . ?
C27B C28B O4B 125.9(6) . . ?
C27B C28B C29B 121.6(6) . . ?
O4B C28B C29B 112.6(5) . . ?
O3B C29B C24B 125.9(5) . . ?
O3B C29B C28B 116.0(5) . . ?
C24B C29B C28B 118.1(5) . . ?
O4B C30B H30D 109.5 . . ?
O4B C30B H30E 109.5 . . ?
H30D C30B H30E 109.5 . . ?
O4B C30B H30F 109.5 . . ?
H30D C30B H30F 109.5 . . ?
H30E C30B H30F 109.5 . . ?
O14B C31B H31D 109.5 . . ?
O14B C31B H31E 109.5 . . ?
H31D C31B H31E 109.5 . . ?
O14B C31B H31F 109.5 . . ?
H31D C31B H31F 109.5 . . ?
H31E C31B H31F 109.5 . . ?
C1W O1W H1W 109.5 . . ?
O1W C1W H1WA 109.5 . . ?
O1W C1W H1WB 109.5 . . ?
H1WA C1W H1WB 109.5 . . ?
O1W C1W H1WC 109.5 . . ?
H1WA C1W H1WC 109.5 . . ?
H1WB C1W H1WC 109.5 . . ?
C2W O2W H2W 109.5 . . ?
O2W C2W H2WA 109.5 . . ?
O2W C2W H2WB 109.5 . . ?
H2WA C2W H2WB 109.5 . . ?
O2W C2W H2WC 109.5 . . ?
H2WA C2W H2WC 109.5 . . ?
H2WB C2W H2WC 109.5 . . ?

_refine_diff_density_max         0.991
_refine_diff_density_min         -1.374
_refine_diff_density_rms         0.160

_shelxl_version_number           2012-9


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Methanol/diethylether'
_chemical_properties_physical    Air-sensitive
_exptl_crystal_preparation       'Magnetic properties'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mo_I06WB3B_0m_ba
_database_code_depnum_ccdc_archive 'CCDC 1853430'
_audit_update_record             
;
2018-07-04 deposited with the CCDC.
2018-11-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         '2(C31 H30 Eu N5 O14 Zn), C H4 O'
_chemical_formula_sum            'C63 H64 Eu2 N10 O29 Zn2'
_chemical_formula_weight         1859.90

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   9.2091(14)
_cell_length_b                   16.418(3)
_cell_length_c                   23.140(4)
_cell_angle_alpha                90
_cell_angle_beta                 95.496(6)
_cell_angle_gamma                90
_cell_volume                     3482.6(9)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9973
_cell_measurement_theta_min      2.48
_cell_measurement_theta_max      25.58

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.774
_exptl_crystal_F_000             1860
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.128
_exptl_crystal_size_mid          0.074
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    2.551
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5526
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   microfocus
_diffrn_measurement_device_type  'D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            31197
_diffrn_reflns_av_unetI/netI     0.1142
_diffrn_reflns_av_R_equivalents  0.0956
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         2.160
_diffrn_reflns_theta_max         25.943
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measured_fraction_theta_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.969
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.920
_diffrn_reflns_point_group_measured_fraction_full 0.933
_reflns_number_total             12529
_reflns_number_gt                9693
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.830
_reflns_Friedel_fraction_max     0.867
_reflns_Friedel_fraction_full    0.882

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0625P)²+36.4508P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.29(4)
_chemical_absolute_configuration rm
_refine_ls_number_reflns         12529
_refine_ls_number_parameters     637
_refine_ls_number_restraints     8
_refine_ls_R_factor_all          0.0955
_refine_ls_R_factor_gt           0.0737
_refine_ls_wR_factor_ref         0.1900
_refine_ls_wR_factor_gt          0.1773
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_restrained_S_all      1.060
_refine_ls_shift/su_max          0.000
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1A Eu 0.67184(13) 0.50938(5) 0.79884(5) 0.0248(3) Uani 1 1 d . . . . .
Zn1A Zn 0.6215(3) 0.55638(16) 0.64988(11) 0.0190(6) Uani 1 1 d . . . . .
O1A O 0.458(2) 0.4056(12) 0.7886(7) 0.037(4) Uani 1 1 d . . . . .
O2A O 0.5139(14) 0.5060(10) 0.7095(6) 0.021(3) Uani 1 1 d . . . . .
O3A O 0.7809(16) 0.5616(9) 0.7197(6) 0.016(3) Uani 1 1 d . . . . .
O4A O 0.9510(17) 0.5591(8) 0.8101(6) 0.020(3) Uani 1 1 d . . . . .
O5A O 0.7698(17) 0.3816(11) 0.7609(7) 0.026(4) Uani 1 1 d . . . . .
O6A O 0.8049(19) 0.4007(12) 0.8502(8) 0.035(4) Uani 1 1 d . . . . .
O7A O 0.934(2) 0.3024(13) 0.8128(8) 0.038(5) Uani 1 1 d . . . . .
O8A O 0.567(2) 0.4705(11) 0.8938(8) 0.042(5) Uani 1 1 d . . . . .
O9A O 0.7233(15) 0.5520(9) 0.8985(6) 0.017(3) Uani 1 1 d . . . . .
O10A O 0.6429(18) 0.5190(11) 0.9794(5) 0.033(4) Uani 1 1 d . . . . .
O11A O 0.4590(18) 0.5982(11) 0.8178(9) 0.037(5) Uani 1 1 d . . . . .
O12A O 0.6495(19) 0.6606(12) 0.7962(7) 0.029(4) Uani 1 1 d . . . . .
O13A O 0.449(2) 0.7250(12) 0.8120(9) 0.035(5) Uani 1 1 d . . . . .
O14A O 0.704(2) 0.4593(11) 0.6076(7) 0.044(3) Uani 1 1 d D . . . .
H14C H 0.734873 0.464179 0.574707 0.053 Uiso 1 1 calc DR U . . .
N1A N 0.420(3) 0.5883(12) 0.6055(9) 0.035(2) Uani 1 1 d . . . . .
N2A N 0.679(3) 0.6634(13) 0.6146(10) 0.035(2) Uani 1 1 d . . . . .
N3A N 0.824(3) 0.3574(14) 0.8044(10) 0.035(2) Uani 1 1 d . . . . .
N4A N 0.663(2) 0.5204(16) 0.9274(8) 0.035(2) Uani 1 1 d . . . . .
N5A N 0.526(3) 0.6693(15) 0.8071(10) 0.035(2) Uani 1 1 d . . . . .
C1A C 0.442(4) 0.3379(15) 0.8189(12) 0.040(7) Uani 1 1 d . . . . .
H1AA H 0.525781 0.331373 0.847882 0.048 Uiso 1 1 calc R U . . .
H1AB H 0.352296 0.341508 0.838423 0.048 Uiso 1 1 calc R U . . .
H1AC H 0.435787 0.290949 0.792593 0.048 Uiso 1 1 calc R U . . .
C2A C 0.352(2) 0.4234(13) 0.7471(9) 0.025(2) Uani 1 1 d . . . . .
C3A C 0.388(2) 0.4754(13) 0.7092(9) 0.025(2) Uani 1 1 d . . . . .
C4A C 0.277(2) 0.5116(13) 0.6658(8) 0.025(2) Uani 1 1 d . . . . .
C5A C 0.139(2) 0.4789(12) 0.6667(9) 0.025(2) Uani 1 1 d . . . . .
H5A H 0.065111 0.497179 0.638292 0.030 Uiso 1 1 calc R U . . .
C6A C 0.102(2) 0.4219(12) 0.7059(9) 0.025(2) Uani 1 1 d . . . . .
H6A H 0.004248 0.404391 0.706294 0.030 Uiso 1 1 calc R U . . .
C7A C 0.221(2) 0.3876(12) 0.7482(9) 0.025(2) Uani 1 1 d . . . . .
H7A H 0.204024 0.344002 0.773760 0.030 Uiso 1 1 calc R U . . .
C8A C 0.312(3) 0.5673(15) 0.6192(10) 0.025(5) Uani 1 1 d . . . . .
H8A H 0.229147 0.589238 0.596785 0.030 Uiso 1 1 calc R U . . .
C9A C 0.446(2) 0.6394(11) 0.5562(8) 0.025(5) Uani 1 1 d . . . . .
H9A H 0.490828 0.604603 0.527243 0.030 Uiso 1 1 calc R U . . .
C10A C 0.3219(15) 0.6816(9) 0.5261(7) 0.030(5) Uani 1 1 d G . . . .
C11A C 0.2822(19) 0.6586(9) 0.4690(7) 0.049(8) Uani 1 1 d G . . . .
H11A H 0.331736 0.615142 0.452180 0.059 Uiso 1 1 calc R U . . .
C12A C 0.170(2) 0.6992(10) 0.4364(5) 0.050(8) Uani 1 1 d G . . . .
H12A H 0.142859 0.683543 0.397313 0.060 Uiso 1 1 calc R U . . .
C13A C 0.0975(17) 0.7629(11) 0.4609(7) 0.043(7) Uani 1 1 d G . . . .
H13A H 0.020796 0.790628 0.438652 0.052 Uiso 1 1 calc R U . . .
C14A C 0.1372(19) 0.7858(10) 0.5181(7) 0.054(8) Uani 1 1 d G . . . .
H14A H 0.087610 0.829313 0.534857 0.065 Uiso 1 1 calc R U . . .
C15A C 0.2494(18) 0.7452(10) 0.5507(5) 0.041(7) Uani 1 1 d G . . . .
H15A H 0.276488 0.760912 0.589725 0.050 Uiso 1 1 calc R U . . .
C16A C 0.569(3) 0.7064(12) 0.5815(9) 0.026(4) Uani 1 1 d . U . . .
H16A H 0.521156 0.743139 0.608513 0.031 Uiso 1 1 calc R U . . .
C17A C 0.627(3) 0.7599(17) 0.5348(13) 0.042(3) Uani 1 1 d . U . . .
C18A C 0.669(3) 0.7278(15) 0.4834(12) 0.042(3) Uani 1 1 d . . . . .
H18A H 0.661702 0.671006 0.475694 0.050 Uiso 1 1 calc R U . . .
C19A C 0.723(3) 0.7817(15) 0.4430(13) 0.042(3) Uani 1 1 d . . . . .
H19A H 0.760178 0.760202 0.409257 0.050 Uiso 1 1 calc R U . . .
C20A C 0.723(3) 0.8661(16) 0.4515(12) 0.042(3) Uani 1 1 d . . . . .
H20A H 0.758419 0.901202 0.423499 0.050 Uiso 1 1 calc R U . . .
C21A C 0.672(3) 0.8971(15) 0.4988(12) 0.042(3) Uani 1 1 d . . . . .
H21A H 0.663245 0.954553 0.501516 0.050 Uiso 1 1 calc R U . . .
C22A C 0.630(3) 0.8483(16) 0.5457(13) 0.042(3) Uani 1 1 d . . . . .
H22A H 0.606286 0.871207 0.581310 0.050 Uiso 1 1 calc R U . . .
C23A C 0.804(3) 0.7001(18) 0.6324(12) 0.036(6) Uani 1 1 d . U . . .
H23A H 0.822635 0.751303 0.615437 0.043 Uiso 1 1 calc R U . . .
C24A C 0.9189(14) 0.6674(10) 0.6767(5) 0.027(2) Uani 1 1 d G U . . .
C25A C 1.0463(16) 0.7133(9) 0.6816(6) 0.027(2) Uani 1 1 d G . . . .
H25A H 1.064452 0.750921 0.651912 0.032 Uiso 1 1 calc R U . . .
C26A C 1.1471(13) 0.7041(9) 0.7298(6) 0.027(2) Uani 1 1 d G . . . .
H26A H 1.234170 0.735503 0.733120 0.032 Uiso 1 1 calc R U . . .
C27A C 1.1205(15) 0.6490(9) 0.7732(5) 0.027(2) Uani 1 1 d G . . . .
H27A H 1.189429 0.642782 0.806141 0.032 Uiso 1 1 calc R U . . .
C28A C 0.9931(16) 0.6031(9) 0.7683(6) 0.027(2) Uani 1 1 d G . . . .
C29A C 0.8923(13) 0.6123(9) 0.7201(7) 0.027(2) Uani 1 1 d G . . . .
C30A C 1.032(3) 0.5499(18) 0.8597(11) 0.044(7) Uani 1 1 d . . . . .
H30A H 0.981847 0.514709 0.885506 0.052 Uiso 1 1 calc R U . . .
H30B H 1.125644 0.524945 0.852448 0.052 Uiso 1 1 calc R U . . .
H30C H 1.050439 0.603217 0.878066 0.052 Uiso 1 1 calc R U . . .
C31A C 0.672(3) 0.3743(12) 0.6178(12) 0.044(3) Uani 1 1 d D . . . .
H31A H 0.568924 0.368819 0.624801 0.067 Uiso 1 1 calc R U . . .
H31B H 0.733544 0.354826 0.651850 0.067 Uiso 1 1 calc R U . . .
H31C H 0.690911 0.342011 0.583779 0.067 Uiso 1 1 calc R U . . .
Eu1B Eu 0.68506(12) 0.52544(5) 0.29242(5) 0.0232(3) Uani 1 1 d . U . . .
Zn1B Zn 0.6365(3) 0.47292(16) 0.14437(11) 0.0189(6) Uani 1 1 d . . . . .
O1B O 0.4648(18) 0.6388(10) 0.2755(7) 0.0226(17) Uani 1 1 d . . . . .
O2B O 0.5370(16) 0.5289(11) 0.2078(6) 0.0226(17) Uani 1 1 d . . . . .
O3B O 0.7810(18) 0.4648(10) 0.2089(7) 0.0226(17) Uani 1 1 d . . . . .
O4B O 0.9583(17) 0.4896(9) 0.3039(6) 0.0226(17) Uani 1 1 d . . . . .
O5B O 0.6835(17) 0.3737(13) 0.3033(8) 0.031(4) Uani 1 1 d . . . . .
O6B O 0.475(2) 0.4398(14) 0.3140(9) 0.040(5) Uani 1 1 d . U . . .
O7B O 0.4889(18) 0.3013(11) 0.3083(8) 0.027(4) Uani 1 1 d . . . . .
O8B O 0.7644(19) 0.4718(12) 0.4010(8) 0.040(5) Uani 1 1 d . . . . .
O9B O 0.562(2) 0.5688(16) 0.3819(8) 0.049(6) Uani 1 1 d . U . . .
O10B O 0.5925(19) 0.5047(10) 0.4636(6) 0.035(4) Uani 1 1 d . . . . .
O11B O 0.832(2) 0.6370(13) 0.3448(8) 0.039(5) Uani 1 1 d . . . . .
O12B O 0.8016(19) 0.6520(11) 0.2504(7) 0.032(4) Uani 1 1 d . . . . .
O13B O 0.954(3) 0.7292(14) 0.3022(12) 0.064(7) Uani 1 1 d . . . . .
O14B O 0.692(2) 0.5657(12) 0.0948(8) 0.044(3) Uani 1 1 d . . . . .
H14D H 0.667174 0.551822 0.060387 0.053 Uiso 1 1 calc R U . . .
N1B N 0.4471(18) 0.4245(9) 0.1106(7) 0.017(3) Uani 1 1 d . . . . .
N2B N 0.7191(18) 0.3738(10) 0.1061(8) 0.017(3) Uani 1 1 d . . . . .
N3B N 0.541(2) 0.3695(15) 0.3052(9) 0.027(4) Uani 1 1 d . . . . .
N4B N 0.6227(16) 0.5139(12) 0.4156(7) 0.023(4) Uani 1 1 d . . . . .
N5B N 0.8588(18) 0.6731(12) 0.3027(9) 0.022(4) Uani 1 1 d . . . . .
C1B C 0.448(3) 0.7169(15) 0.3109(11) 0.029(4) Uani 1 1 d . . . . .
H1BA H 0.544307 0.733923 0.328855 0.043 Uiso 1 1 calc R U . . .
H1BB H 0.383442 0.706436 0.341208 0.043 Uiso 1 1 calc R U . . .
H1BC H 0.407030 0.760177 0.285170 0.043 Uiso 1 1 calc R U . . .
C2B C 0.3504(14) 0.6101(9) 0.2354(6) 0.027(2) Uani 1 1 d G . . . .
C3B C 0.2080(15) 0.6390(8) 0.2314(6) 0.027(2) Uani 1 1 d G . . . .
H3B H 0.182482 0.682153 0.255849 0.033 Uiso 1 1 calc R U . . .
C4B C 0.1028(12) 0.6049(9) 0.1915(6) 0.027(2) Uani 1 1 d G . . . .
H4B H 0.005440 0.624730 0.188709 0.033 Uiso 1 1 calc R U . . .
C5B C 0.1401(13) 0.5419(9) 0.1557(6) 0.027(2) Uani 1 1 d G . . . .
H5B H 0.068191 0.518546 0.128394 0.033 Uiso 1 1 calc R U . . .
C6B C 0.2825(15) 0.5129(8) 0.1597(6) 0.027(2) Uani 1 1 d G . . . .
C7B C 0.3877(12) 0.5470(9) 0.1996(6) 0.027(2) Uani 1 1 d G . . . .
C8B C 0.314(4) 0.4487(18) 0.1232(12) 0.039(7) Uani 1 1 d . . . . .
H8B H 0.232976 0.419108 0.105349 0.047 Uiso 1 1 calc R U . . .
C9B C 0.461(2) 0.3451(11) 0.0778(9) 0.019(4) Uani 1 1 d . . . . .
H9B H 0.465115 0.300800 0.107643 0.023 Uiso 1 1 calc R U . . .
C10B C 0.338(3) 0.3240(15) 0.0341(11) 0.037(3) Uani 1 1 d . . . . .
C11B C 0.239(3) 0.2606(16) 0.0394(11) 0.037(3) Uani 1 1 d . . . . .
H11B H 0.257346 0.224457 0.071332 0.045 Uiso 1 1 calc R U . . .
C12B C 0.117(3) 0.2469(16) 0.0015(11) 0.037(3) Uani 1 1 d . . . . .
H12B H 0.050124 0.205060 0.009406 0.045 Uiso 1 1 calc R U . . .
C13B C 0.091(3) 0.2938(17) -0.0477(12) 0.037(3) Uani 1 1 d . . . . .
H13B H 0.010917 0.281831 -0.075264 0.045 Uiso 1 1 calc R U . . .
C14B C 0.185(3) 0.3600(16) -0.0571(11) 0.037(3) Uani 1 1 d . . . . .
H14B H 0.163938 0.397382 -0.088094 0.045 Uiso 1 1 calc R U . . .
C15B C 0.309(3) 0.3670(17) -0.0179(12) 0.037(3) Uani 1 1 d . . . . .
H15B H 0.381433 0.404793 -0.027475 0.045 Uiso 1 1 calc R U . . .
C16B C 0.615(2) 0.3484(11) 0.0551(8) 0.018(4) Uani 1 1 d . . . . .
H16B H 0.614498 0.391998 0.024857 0.022 Uiso 1 1 calc R U . . .
C17B C 0.648(3) 0.2673(16) 0.0268(11) 0.033(2) Uani 1 1 d . . . . .
C18B C 0.654(3) 0.1959(15) 0.0561(11) 0.033(2) Uani 1 1 d . . . . .
H18B H 0.636504 0.193506 0.095778 0.039 Uiso 1 1 calc R U . . .
C19B C 0.687(3) 0.1291(14) 0.0274(10) 0.033(2) Uani 1 1 d . . . . .
H19B H 0.676663 0.077839 0.045627 0.039 Uiso 1 1 calc R U . . .
C20B C 0.735(3) 0.1299(14) -0.0270(10) 0.033(2) Uani 1 1 d . . . . .
H20B H 0.765650 0.080771 -0.043898 0.039 Uiso 1 1 calc R U . . .
C21B C 0.740(3) 0.2044(15) -0.0577(10) 0.033(2) Uani 1 1 d . . . . .
H21B H 0.776003 0.207853 -0.094725 0.039 Uiso 1 1 calc R U . . .
C22B C 0.687(3) 0.2736(14) -0.0293(10) 0.033(2) Uani 1 1 d . . . . .
H22B H 0.679219 0.324440 -0.048957 0.039 Uiso 1 1 calc R U . . .
C23B C 0.830(3) 0.3390(15) 0.1210(10) 0.026(5) Uani 1 1 d . . . . .
H23B H 0.854435 0.293472 0.098411 0.031 Uiso 1 1 calc R U . . .
C24B C 0.935(2) 0.3610(12) 0.1720(9) 0.0190(19) Uani 1 1 d . . . . .
C25B C 1.069(2) 0.3170(12) 0.1805(9) 0.0190(19) Uani 1 1 d . . . . .
H25B H 1.090566 0.275671 0.153968 0.023 Uiso 1 1 calc R U . . .
C26B C 1.164(2) 0.3346(12) 0.2265(9) 0.0190(19) Uani 1 1 d . . . . .
H26B H 1.256331 0.308070 0.230670 0.023 Uiso 1 1 calc R U . . .
C27B C 1.131(2) 0.3898(12) 0.2675(9) 0.0190(19) Uani 1 1 d . . . . .
H27B H 1.202652 0.402199 0.298595 0.023 Uiso 1 1 calc R U . . .
C28B C 1.006(2) 0.4258(12) 0.2653(9) 0.0190(19) Uani 1 1 d . . . . .
C29B C 0.909(2) 0.4229(12) 0.2131(9) 0.0190(19) Uani 1 1 d . . . . .
C30B C 1.056(3) 0.4983(16) 0.3550(10) 0.029(4) Uani 1 1 d . . . . .
H30F H 1.145203 0.525460 0.345321 0.043 Uiso 1 1 calc R U . . .
H30D H 1.080267 0.444371 0.371326 0.043 Uiso 1 1 calc R U . . .
H30E H 1.009583 0.530991 0.383524 0.043 Uiso 1 1 calc R U . . .
C31B C 0.650(3) 0.6524(16) 0.1036(12) 0.044(3) Uani 1 1 d . . . . .
H31D H 0.737185 0.686761 0.106904 0.067 Uiso 1 1 calc R U . . .
H31E H 0.600589 0.656890 0.139190 0.067 Uiso 1 1 calc R U . . .
H31F H 0.583444 0.670452 0.070388 0.067 Uiso 1 1 calc R U . . .
O1W O 0.8950(19) 0.4805(9) 0.5200(7) 0.047(4) Uani 1 1 d D . . . .
H1WO H 0.828818 0.469381 0.493680 0.057 Uiso 1 1 calc DR U . . .
C1W C 0.948(3) 0.5611(11) 0.5113(12) 0.047(4) Uani 1 1 d D . . . .
H1WA H 0.939319 0.573560 0.469730 0.071 Uiso 1 1 calc R U . . .
H1WB H 1.051213 0.564385 0.526681 0.071 Uiso 1 1 calc R U . . .
H1WC H 0.891374 0.600369 0.531624 0.071 Uiso 1 1 calc R U . . .


_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
Eu1A O3A 2.335(14) . ?
Eu1A O2A 2.411(14) . ?
Eu1A O6A 2.412(19) . ?
Eu1A O9A 2.412(14) . ?
Eu1A O5A 2.478(18) . ?
Eu1A O12A 2.49(2) . ?
Eu1A O11A 2.515(17) . ?
Eu1A O8A 2.57(2) . ?
Eu1A O1A 2.599(18) . ?
Eu1A O4A 2.686(16) . ?
Eu1A N3A 2.86(2) . ?
Eu1A N5A 2.96(2) . ?
Zn1A O2A 1.957(14) . ?
Zn1A N2A 2.03(2) . ?
Zn1A O14A 2.055(17) . ?
Zn1A O3A 2.078(13) . ?
Zn1A N1A 2.10(2) . ?
O1A C1A 1.33(3) . ?
O1A C2A 1.33(3) . ?
O2A C3A 1.27(3) . ?
O3A C29A 1.321(18) . ?
O4A C28A 1.297(18) . ?
O4A C30A 1.32(3) . ?
O5A N3A 1.15(3) . ?
O6A N3A 1.30(3) . ?
O7A N3A 1.36(3) . ?
O8A N4A 1.39(3) . ?
O9A N4A 1.05(3) . ?
O10A N4A 1.24(2) . ?
O11A N5A 1.36(3) . ?
O12A N5A 1.20(3) . ?
O13A N5A 1.17(3) . ?
O14A C31A 1.450(13) . ?
O14A H14C 0.8400 . ?
N1A C8A 1.13(3) . ?
N1A C9A 1.45(3) . ?
N2A C23A 1.33(4) . ?
N2A C16A 1.40(3) . ?
C1A H1AA 0.9800 . ?
C1A H1AB 0.9800 . ?
C1A H1AC 0.9800 . ?
C2A C3A 1.29(3) . ?
C2A C7A 1.35(3) . ?
C3A C4A 1.49(3) . ?
C4A C5A 1.38(3) . ?
C4A C8A 1.47(3) . ?
C5A C6A 1.37(3) . ?
C5A H5A 0.9500 . ?
C6A C7A 1.50(3) . ?
C6A H6A 0.9500 . ?
C7A H7A 0.9500 . ?
C8A H8A 0.9500 . ?
C9A C10A 1.46(2) . ?
C9A C16A 1.64(3) . ?
C9A H9A 1.0000 . ?
C10A C11A 1.3900 . ?
C10A C15A 1.3900 . ?
C11A C12A 1.3900 . ?
C11A H11A 0.9500 . ?
C12A C13A 1.3900 . ?
C12A H12A 0.9500 . ?
C13A C14A 1.3900 . ?
C13A H13A 0.9500 . ?
C14A C15A 1.3900 . ?
C14A H14A 0.9500 . ?
C15A H15A 0.9500 . ?
C16A C17A 1.53(4) . ?
C16A H16A 1.0000 . ?
C17A C18A 1.39(4) . ?
C17A C22A 1.47(4) . ?
C18A C19A 1.41(4) . ?
C18A H18A 0.9500 . ?
C19A C20A 1.40(3) . ?
C19A H19A 0.9500 . ?
C20A C21A 1.33(4) . ?
C20A H20A 0.9500 . ?
C21A C22A 1.43(4) . ?
C21A H21A 0.9500 . ?
C22A H22A 0.9500 . ?
C23A C24A 1.50(3) . ?
C23A H23A 0.9500 . ?
C24A C25A 1.3900 . ?
C24A C29A 1.3900 . ?
C25A C26A 1.3900 . ?
C25A H25A 0.9500 . ?
C26A C27A 1.3900 . ?
C26A H26A 0.9500 . ?
C27A C28A 1.3900 . ?
C27A H27A 0.9500 . ?
C28A C29A 1.3900 . ?
C30A H30A 0.9800 . ?
C30A H30B 0.9800 . ?
C30A H30C 0.9800 . ?
C31A H31A 0.9800 . ?
C31A H31B 0.9800 . ?
C31A H31C 0.9800 . ?
Eu1B O2B 2.278(14) . ?
Eu1B O3B 2.416(15) . ?
Eu1B O6B 2.479(19) . ?
Eu1B O5B 2.50(2) . ?
Eu1B O11B 2.52(2) . ?
Eu1B O9B 2.556(19) . ?
Eu1B O12B 2.572(18) . ?
Eu1B O4B 2.573(16) . ?
Eu1B O8B 2.697(19) . ?
Eu1B O1B 2.753(16) . ?
Eu1B N5B 2.902(19) . ?
Eu1B N3B 2.91(2) . ?
Zn1B O3B 1.907(16) . ?
Zn1B O14B 2.00(2) . ?
Zn1B N1B 2.006(17) . ?
Zn1B O2B 2.024(14) . ?
Zn1B N2B 2.034(17) . ?
O1B C2B 1.416(19) . ?
O1B C1B 1.54(3) . ?
O2B C7B 1.402(18) . ?
O3B C29B 1.36(3) . ?
O4B C30B 1.42(3) . ?
O4B C28B 1.47(2) . ?
O5B N3B 1.32(3) . ?
O6B N3B 1.33(3) . ?
O7B N3B 1.22(3) . ?
O8B N4B 1.54(2) . ?
O9B N4B 1.28(3) . ?
O10B N4B 1.18(2) . ?
O11B N5B 1.19(3) . ?
O12B N5B 1.32(3) . ?
O13B N5B 1.27(3) . ?
O14B C31B 1.50(3) . ?
O14B H14D 0.8400 . ?
N1B C8B 1.35(3) . ?
N1B C9B 1.52(2) . ?
N2B C23B 1.19(3) . ?
N2B C16B 1.50(2) . ?
C1B H1BA 0.9800 . ?
C1B H1BB 0.9800 . ?
C1B H1BC 0.9800 . ?
C2B C3B 1.3900 . ?
C2B C7B 1.3900 . ?
C3B C4B 1.3900 . ?
C3B H3B 0.9500 . ?
C4B C5B 1.3900 . ?
C4B H4B 0.9500 . ?
C5B C6B 1.3900 . ?
C5B H5B 0.9500 . ?
C6B C7B 1.3900 . ?
C6B C8B 1.40(3) . ?
C8B H8B 0.9500 . ?
C9B C10B 1.48(3) . ?
C9B C16B 1.57(3) . ?
C9B H9B 1.0000 . ?
C10B C15B 1.40(3) . ?
C10B C11B 1.40(4) . ?
C11B C12B 1.38(4) . ?
C11B H11B 0.9500 . ?
C12B C13B 1.38(3) . ?
C12B H12B 0.9500 . ?
C13B C14B 1.42(4) . ?
C13B H13B 0.9500 . ?
C14B C15B 1.40(4) . ?
C14B H14B 0.9500 . ?
C15B H15B 0.9500 . ?
C16B C17B 1.53(3) . ?
C16B H16B 1.0000 . ?
C17B C18B 1.35(4) . ?
C17B C22B 1.39(4) . ?
C18B C19B 1.33(3) . ?
C18B H18B 0.9500 . ?
C19B C20B 1.37(3) . ?
C19B H19B 0.9500 . ?
C20B C21B 1.42(3) . ?
C20B H20B 0.9500 . ?
C21B C22B 1.42(3) . ?
C21B H21B 0.9500 . ?
C22B H22B 0.9500 . ?
C23B C24B 1.49(3) . ?
C23B H23B 0.9500 . ?
C24B C29B 1.43(3) . ?
C24B C25B 1.43(2) . ?
C25B C26B 1.34(3) . ?
C25B H25B 0.9500 . ?
C26B C27B 1.37(3) . ?
C26B H26B 0.9500 . ?
C27B C28B 1.29(3) . ?
C27B H27B 0.9500 . ?
C28B C29B 1.43(3) . ?
C30B H30F 0.9800 . ?
C30B H30D 0.9800 . ?
C30B H30E 0.9800 . ?
C31B H31D 0.9800 . ?
C31B H31E 0.9800 . ?
C31B H31F 0.9800 . ?
O1W C1W 1.433(13) . ?
O1W H1WO 0.8400 . ?
C1W H1WA 0.9800 . ?
C1W H1WB 0.9800 . ?
C1W H1WC 0.9800 . ?

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
O3A Eu1A O2A 66.7(5) . . ?
O3A Eu1A O6A 114.9(6) . . ?
O2A Eu1A O6A 129.9(6) . . ?
O3A Eu1A O9A 125.7(5) . . ?
O2A Eu1A O9A 150.8(5) . . ?
O6A Eu1A O9A 72.5(6) . . ?
O3A Eu1A O5A 80.4(5) . . ?
O2A Eu1A O5A 83.5(6) . . ?
O6A Eu1A O5A 50.5(6) . . ?
O9A Eu1A O5A 122.7(5) . . ?
O3A Eu1A O12A 69.9(6) . . ?
O2A Eu1A O12A 87.7(6) . . ?
O6A Eu1A O12A 141.8(6) . . ?
O9A Eu1A O12A 75.1(5) . . ?
O5A Eu1A O12A 150.1(6) . . ?
O3A Eu1A O11A 109.0(6) . . ?
O2A Eu1A O11A 75.3(6) . . ?
O6A Eu1A O11A 135.3(7) . . ?
O9A Eu1A O11A 75.5(6) . . ?
O5A Eu1A O11A 150.4(6) . . ?
O12A Eu1A O11A 50.4(6) . . ?
O3A Eu1A O8A 171.7(6) . . ?
O2A Eu1A O8A 118.8(6) . . ?
O6A Eu1A O8A 67.0(6) . . ?
O9A Eu1A O8A 46.3(6) . . ?
O5A Eu1A O8A 105.8(6) . . ?
O12A Eu1A O8A 103.4(6) . . ?
O11A Eu1A O8A 68.3(7) . . ?
O3A Eu1A O1A 123.3(5) . . ?
O2A Eu1A O1A 61.1(5) . . ?
O6A Eu1A O1A 84.6(6) . . ?
O9A Eu1A O1A 110.8(5) . . ?
O5A Eu1A O1A 73.2(6) . . ?
O12A Eu1A O1A 126.2(6) . . ?
O11A Eu1A O1A 78.4(6) . . ?
O8A Eu1A O1A 64.5(6) . . ?
O3A Eu1A O4A 59.0(5) . . ?
O2A Eu1A O4A 125.7(5) . . ?
O6A Eu1A O4A 74.9(5) . . ?
O9A Eu1A O4A 73.8(5) . . ?
O5A Eu1A O4A 85.1(5) . . ?
O12A Eu1A O4A 77.0(5) . . ?
O11A Eu1A O4A 124.2(5) . . ?
O8A Eu1A O4A 115.4(6) . . ?
O1A Eu1A O4A 156.7(6) . . ?
O3A Eu1A N3A 96.3(6) . . ?
O2A Eu1A N3A 105.7(6) . . ?
O6A Eu1A N3A 27.0(6) . . ?
O9A Eu1A N3A 99.2(6) . . ?
O5A Eu1A N3A 23.5(6) . . ?
O12A Eu1A N3A 155.5(7) . . ?
O11A Eu1A N3A 152.2(7) . . ?
O8A Eu1A N3A 88.2(7) . . ?
O1A Eu1A N3A 78.2(7) . . ?
O4A Eu1A N3A 78.5(6) . . ?
O3A Eu1A N5A 87.5(6) . . ?
O2A Eu1A N5A 80.6(6) . . ?
O6A Eu1A N5A 146.7(7) . . ?
O9A Eu1A N5A 74.3(6) . . ?
O5A Eu1A N5A 162.9(6) . . ?
O12A Eu1A N5A 23.3(6) . . ?
O11A Eu1A N5A 27.1(6) . . ?
O8A Eu1A N5A 87.4(6) . . ?
O1A Eu1A N5A 104.0(7) . . ?
O4A Eu1A N5A 99.2(6) . . ?
N3A Eu1A N5A 173.5(7) . . ?
O2A Zn1A N2A 144.9(8) . . ?
O2A Zn1A O14A 104.1(7) . . ?
N2A Zn1A O14A 111.0(7) . . ?
O2A Zn1A O3A 80.6(6) . . ?
N2A Zn1A O3A 94.9(8) . . ?
O14A Zn1A O3A 97.8(7) . . ?
O2A Zn1A N1A 88.1(7) . . ?
N2A Zn1A N1A 80.6(9) . . ?
O14A Zn1A N1A 108.1(8) . . ?
O3A Zn1A N1A 153.6(7) . . ?
O2A Zn1A Eu1A 41.0(4) . . ?
N2A Zn1A Eu1A 124.7(6) . . ?
O14A Zn1A Eu1A 106.1(5) . . ?
O3A Zn1A Eu1A 39.7(4) . . ?
N1A Zn1A Eu1A 124.2(6) . . ?
C1A O1A C2A 117(2) . . ?
C1A O1A Eu1A 128.4(18) . . ?
C2A O1A Eu1A 114.6(14) . . ?
C3A O2A Zn1A 133.7(14) . . ?
C3A O2A Eu1A 119.4(13) . . ?
Zn1A O2A Eu1A 106.9(6) . . ?
C29A O3A Zn1A 121.5(10) . . ?
C29A O3A Eu1A 128.2(11) . . ?
Zn1A O3A Eu1A 105.7(6) . . ?
C28A O4A C30A 121.8(18) . . ?
C28A O4A Eu1A 116.7(11) . . ?
C30A O4A Eu1A 120.6(15) . . ?
N3A O5A Eu1A 97.1(15) . . ?
N3A O6A Eu1A 96.0(15) . . ?
N4A O8A Eu1A 93.4(13) . . ?
N4A O9A Eu1A 113.5(15) . . ?
N5A O11A Eu1A 95.3(14) . . ?
N5A O12A Eu1A 101.1(17) . . ?
C31A O14A Zn1A 125.2(15) . . ?
C31A O14A H14C 109.5 . . ?
Zn1A O14A H14C 121.9 . . ?
C8A N1A C9A 128(2) . . ?
C8A N1A Zn1A 123.4(19) . . ?
C9A N1A Zn1A 109.0(16) . . ?
C23A N2A C16A 120(2) . . ?
C23A N2A Zn1A 121.2(19) . . ?
C16A N2A Zn1A 117.1(17) . . ?
O5A N3A O6A 116(2) . . ?
O5A N3A O7A 128(2) . . ?
O6A N3A O7A 114(2) . . ?
O5A N3A Eu1A 59.4(13) . . ?
O6A N3A Eu1A 57.1(13) . . ?
O7A N3A Eu1A 160.5(17) . . ?
O9A N4A O10A 140(2) . . ?
O9A N4A O8A 106.6(18) . . ?
O10A N4A O8A 113(2) . . ?
O9A N4A Eu1A 47.8(12) . . ?
O10A N4A Eu1A 171.9(17) . . ?
O8A N4A Eu1A 59.0(10) . . ?
O13A N5A O12A 135(3) . . ?
O13A N5A O11A 112(2) . . ?
O12A N5A O11A 113(2) . . ?
O13A N5A Eu1A 169(2) . . ?
O12A N5A Eu1A 55.5(14) . . ?
O11A N5A Eu1A 57.7(12) . . ?
O1A C1A H1AA 109.5 . . ?
O1A C1A H1AB 109.5 . . ?
H1AA C1A H1AB 109.5 . . ?
O1A C1A H1AC 109.5 . . ?
H1AA C1A H1AC 109.5 . . ?
H1AB C1A H1AC 109.5 . . ?
C3A C2A O1A 115(2) . . ?
C3A C2A C7A 126(2) . . ?
O1A C2A C7A 119(2) . . ?
O2A C3A C2A 123(2) . . ?
O2A C3A C4A 114.6(18) . . ?
C2A C3A C4A 122(2) . . ?
O2A C3A Eu1A 40.6(10) . . ?
C2A C3A Eu1A 85.4(13) . . ?
C4A C3A Eu1A 145.8(13) . . ?
C5A C4A C8A 121.2(19) . . ?
C5A C4A C3A 114.0(18) . . ?
C8A C4A C3A 124.0(19) . . ?
C6A C5A C4A 124.3(19) . . ?
C6A C5A H5A 117.9 . . ?
C4A C5A H5A 117.9 . . ?
C5A C6A C7A 119(2) . . ?
C5A C6A H6A 120.7 . . ?
C7A C6A H6A 120.7 . . ?
C2A C7A C6A 114.9(19) . . ?
C2A C7A H7A 122.6 . . ?
C6A C7A H7A 122.6 . . ?
N1A C8A C4A 131(2) . . ?
N1A C8A H8A 114.5 . . ?
C4A C8A H8A 114.5 . . ?
N1A C9A C10A 118(2) . . ?
N1A C9A C16A 105.4(15) . . ?
C10A C9A C16A 109.5(15) . . ?
N1A C9A H9A 107.8 . . ?
C10A C9A H9A 107.8 . . ?
C16A C9A H9A 107.8 . . ?
C11A C10A C15A 120.0 . . ?
C11A C10A C9A 116.7(13) . . ?
C15A C10A C9A 123.2(13) . . ?
C12A C11A C10A 120.0 . . ?
C12A C11A H11A 120.0 . . ?
C10A C11A H11A 120.0 . . ?
C11A C12A C13A 120.0 . . ?
C11A C12A H12A 120.0 . . ?
C13A C12A H12A 120.0 . . ?
C12A C13A C14A 120.0 . . ?
C12A C13A H13A 120.0 . . ?
C14A C13A H13A 120.0 . . ?
C15A C14A C13A 120.0 . . ?
C15A C14A H14A 120.0 . . ?
C13A C14A H14A 120.0 . . ?
C14A C15A C10A 120.0 . . ?
C14A C15A H15A 120.0 . . ?
C10A C15A H15A 120.0 . . ?
N2A C16A C17A 113(2) . . ?
N2A C16A C9A 107.1(17) . . ?
C17A C16A C9A 114.1(18) . . ?
N2A C16A H16A 107.4 . . ?
C17A C16A H16A 107.4 . . ?
C9A C16A H16A 107.4 . . ?
C18A C17A C22A 121(3) . . ?
C18A C17A C16A 122(2) . . ?
C22A C17A C16A 117(2) . . ?
C17A C18A C19A 118(2) . . ?
C17A C18A H18A 120.9 . . ?
C19A C18A H18A 120.9 . . ?
C20A C19A C18A 121(3) . . ?
C20A C19A H19A 119.3 . . ?
C18A C19A H19A 119.3 . . ?
C21A C20A C19A 120(3) . . ?
C21A C20A H20A 120.0 . . ?
C19A C20A H20A 120.0 . . ?
C20A C21A C22A 123(2) . . ?
C20A C21A H21A 118.3 . . ?
C22A C21A H21A 118.3 . . ?
C21A C22A C17A 115(3) . . ?
C21A C22A H22A 122.5 . . ?
C17A C22A H22A 122.5 . . ?
N2A C23A C24A 126(2) . . ?
N2A C23A H23A 117.2 . . ?
C24A C23A H23A 117.2 . . ?
C25A C24A C29A 120.0 . . ?
C25A C24A C23A 113.3(14) . . ?
C29A C24A C23A 124.5(14) . . ?
C26A C25A C24A 120.0 . . ?
C26A C25A H25A 120.0 . . ?
C24A C25A H25A 120.0 . . ?
C27A C26A C25A 120.0 . . ?
C27A C26A H26A 120.0 . . ?
C25A C26A H26A 120.0 . . ?
C26A C27A C28A 120.0 . . ?
C26A C27A H27A 120.0 . . ?
C28A C27A H27A 120.0 . . ?
O4A C28A C29A 115.8(12) . . ?
O4A C28A C27A 123.5(12) . . ?
C29A C28A C27A 120.0 . . ?
O3A C29A C28A 113.3(12) . . ?
O3A C29A C24A 126.6(12) . . ?
C28A C29A C24A 120.0 . . ?
O4A C30A H30A 109.5 . . ?
O4A C30A H30B 109.5 . . ?
H30A C30A H30B 109.5 . . ?
O4A C30A H30C 109.5 . . ?
H30A C30A H30C 109.5 . . ?
H30B C30A H30C 109.5 . . ?
O14A C31A H31A 109.5 . . ?
O14A C31A H31B 109.5 . . ?
H31A C31A H31B 109.5 . . ?
O14A C31A H31C 109.5 . . ?
H31A C31A H31C 109.5 . . ?
H31B C31A H31C 109.5 . . ?
O2B Eu1B O3B 63.7(5) . . ?
O2B Eu1B O6B 76.9(6) . . ?
O3B Eu1B O6B 106.2(6) . . ?
O2B Eu1B O5B 95.9(6) . . ?
O3B Eu1B O5B 71.1(6) . . ?
O6B Eu1B O5B 53.4(6) . . ?
O2B Eu1B O11B 130.2(6) . . ?
O3B Eu1B O11B 117.6(6) . . ?
O6B Eu1B O11B 135.2(7) . . ?
O5B Eu1B O11B 133.1(6) . . ?
O2B Eu1B O9B 114.5(6) . . ?
O3B Eu1B O9B 171.1(7) . . ?
O6B Eu1B O9B 65.2(7) . . ?
O5B Eu1B O9B 100.9(7) . . ?
O11B Eu1B O9B 70.6(7) . . ?
O2B Eu1B O12B 83.8(6) . . ?
O3B Eu1B O12B 80.4(6) . . ?
O6B Eu1B O12B 153.6(6) . . ?
O5B Eu1B O12B 148.0(6) . . ?
O11B Eu1B O12B 50.9(6) . . ?
O9B Eu1B O12B 108.3(7) . . ?
O2B Eu1B O4B 126.4(5) . . ?
O3B Eu1B O4B 63.9(5) . . ?
O6B Eu1B O4B 128.5(6) . . ?
O5B Eu1B O4B 77.1(5) . . ?
O11B Eu1B O4B 69.0(6) . . ?
O9B Eu1B O4B 119.0(6) . . ?
O12B Eu1B O4B 77.6(5) . . ?
O2B Eu1B O8B 153.6(6) . . ?
O3B Eu1B O8B 121.6(5) . . ?
O6B Eu1B O8B 76.9(6) . . ?
O5B Eu1B O8B 65.5(6) . . ?
O11B Eu1B O8B 72.8(6) . . ?
O9B Eu1B O8B 55.8(6) . . ?
O12B Eu1B O8B 122.0(6) . . ?
O4B Eu1B O8B 69.7(5) . . ?
O2B Eu1B O1B 59.2(5) . . ?
O3B Eu1B O1B 119.0(5) . . ?
O6B Eu1B O1B 80.5(6) . . ?
O5B Eu1B O1B 132.5(5) . . ?
O11B Eu1B O1B 86.1(6) . . ?
O9B Eu1B O1B 63.2(6) . . ?
O12B Eu1B O1B 74.2(5) . . ?
O4B Eu1B O1B 150.3(5) . . ?
O8B Eu1B O1B 118.9(5) . . ?
O2B Eu1B N5B 109.2(6) . . ?
O3B Eu1B N5B 99.7(6) . . ?
O6B Eu1B N5B 153.1(6) . . ?
O5B Eu1B N5B 146.2(5) . . ?
O11B Eu1B N5B 24.0(6) . . ?
O9B Eu1B N5B 89.1(7) . . ?
O12B Eu1B N5B 27.0(6) . . ?
O4B Eu1B N5B 69.9(5) . . ?
O8B Eu1B N5B 95.7(6) . . ?
O1B Eu1B N5B 80.8(5) . . ?
O2B Eu1B N3B 82.4(6) . . ?
O3B Eu1B N3B 85.6(6) . . ?
O6B Eu1B N3B 27.0(6) . . ?
O5B Eu1B N3B 26.9(6) . . ?
O11B Eu1B N3B 145.1(6) . . ?
O9B Eu1B N3B 85.5(7) . . ?
O12B Eu1B N3B 163.6(6) . . ?
O4B Eu1B N3B 103.8(6) . . ?
O8B Eu1B N3B 72.8(6) . . ?
O1B Eu1B N3B 105.8(6) . . ?
N5B Eu1B N3B 168.3(6) . . ?
O3B Zn1B O14B 107.6(8) . . ?
O3B Zn1B N1B 142.4(7) . . ?
O14B Zn1B N1B 109.9(8) . . ?
O3B Zn1B O2B 78.2(6) . . ?
O14B Zn1B O2B 103.2(7) . . ?
N1B Zn1B O2B 91.4(6) . . ?
O3B Zn1B N2B 91.3(7) . . ?
O14B Zn1B N2B 103.4(7) . . ?
N1B Zn1B N2B 82.0(6) . . ?
O2B Zn1B N2B 153.3(7) . . ?
O3B Zn1B Eu1B 40.6(5) . . ?
O14B Zn1B Eu1B 110.8(5) . . ?
N1B Zn1B Eu1B 120.0(5) . . ?
O2B Zn1B Eu1B 37.6(4) . . ?
N2B Zn1B Eu1B 127.0(5) . . ?
C2B O1B C1B 121.5(16) . . ?
C2B O1B Eu1B 111.1(10) . . ?
C1B O1B Eu1B 126.6(13) . . ?
C7B O2B Zn1B 120.3(10) . . ?
C7B O2B Eu1B 128.3(10) . . ?
Zn1B O2B Eu1B 109.7(7) . . ?
C29B O3B Zn1B 128.8(13) . . ?
C29B O3B Eu1B 122.1(13) . . ?
Zn1B O3B Eu1B 108.4(7) . . ?
C30B O4B C28B 112.0(16) . . ?
C30B O4B Eu1B 126.7(12) . . ?
C28B O4B Eu1B 116.4(11) . . ?
N3B O5B Eu1B 94.1(15) . . ?
N3B O6B Eu1B 94.9(13) . . ?
N4B O8B Eu1B 84.2(10) . . ?
N4B O9B Eu1B 95.5(13) . . ?
N5B O11B Eu1B 96.4(14) . . ?
N5B O12B Eu1B 90.6(12) . . ?
C31B O14B Zn1B 124.1(16) . . ?
C31B O14B H14D 109.5 . . ?
Zn1B O14B H14D 105.9 . . ?
C8B N1B C9B 119(2) . . ?
C8B N1B Zn1B 125.1(17) . . ?
C9B N1B Zn1B 115.1(12) . . ?
C23B N2B C16B 123.8(19) . . ?
C23B N2B Zn1B 127.1(16) . . ?
C16B N2B Zn1B 109.1(12) . . ?
O7B N3B O5B 117(2) . . ?
O7B N3B O6B 127(2) . . ?
O5B N3B O6B 115(2) . . ?
O7B N3B Eu1B 175.0(17) . . ?
O5B N3B Eu1B 59.1(13) . . ?
O6B N3B Eu1B 58.0(12) . . ?
O10B N4B O9B 122.2(18) . . ?
O10B N4B O8B 115.4(17) . . ?
O9B N4B O8B 120.6(17) . . ?
O10B N4B Eu1B 175.6(15) . . ?
O9B N4B Eu1B 59.0(11) . . ?
O8B N4B Eu1B 64.7(9) . . ?
O11B N5B O13B 124(2) . . ?
O11B N5B O12B 122(2) . . ?
O13B N5B O12B 113(2) . . ?
O11B N5B Eu1B 59.6(13) . . ?
O13B N5B Eu1B 168.2(16) . . ?
O12B N5B Eu1B 62.4(11) . . ?
O1B C1B H1BA 109.5 . . ?
O1B C1B H1BB 109.5 . . ?
H1BA C1B H1BB 109.5 . . ?
O1B C1B H1BC 109.5 . . ?
H1BA C1B H1BC 109.5 . . ?
H1BB C1B H1BC 109.5 . . ?
C3B C2B C7B 120.0 . . ?
C3B C2B O1B 124.6(10) . . ?
C7B C2B O1B 115.3(10) . . ?
C2B C3B C4B 120.0 . . ?
C2B C3B H3B 120.0 . . ?
C4B C3B H3B 120.0 . . ?
C3B C4B C5B 120.0 . . ?
C3B C4B H4B 120.0 . . ?
C5B C4B H4B 120.0 . . ?
C6B C5B C4B 120.0 . . ?
C6B C5B H5B 120.0 . . ?
C4B C5B H5B 120.0 . . ?
C5B C6B C7B 120.0 . . ?
C5B C6B C8B 117.7(16) . . ?
C7B C6B C8B 122.3(16) . . ?
C6B C7B C2B 120.0 . . ?
C6B C7B O2B 128.1(11) . . ?
C2B C7B O2B 111.9(11) . . ?
N1B C8B C6B 127(3) . . ?
N1B C8B H8B 116.7 . . ?
C6B C8B H8B 116.7 . . ?
C10B C9B N1B 116.6(18) . . ?
C10B C9B C16B 115.8(18) . . ?
N1B C9B C16B 105.0(14) . . ?
C10B C9B H9B 106.2 . . ?
N1B C9B H9B 106.2 . . ?
C16B C9B H9B 106.2 . . ?
C15B C10B C11B 112(2) . . ?
C15B C10B C9B 123(2) . . ?
C11B C10B C9B 125(2) . . ?
C12B C11B C10B 125(2) . . ?
C12B C11B H11B 117.7 . . ?
C10B C11B H11B 117.7 . . ?
C13B C12B C11B 120(3) . . ?
C13B C12B H12B 120.0 . . ?
C11B C12B H12B 120.0 . . ?
C12B C13B C14B 120(3) . . ?
C12B C13B H13B 120.1 . . ?
C14B C13B H13B 120.1 . . ?
C15B C14B C13B 116(2) . . ?
C15B C14B H14B 122.0 . . ?
C13B C14B H14B 122.0 . . ?
C10B C15B C14B 126(3) . . ?
C10B C15B H15B 116.8 . . ?
C14B C15B H15B 116.8 . . ?
N2B C16B C17B 116.4(17) . . ?
N2B C16B C9B 106.0(15) . . ?
C17B C16B C9B 109.5(17) . . ?
N2B C16B H16B 108.3 . . ?
C17B C16B H16B 108.3 . . ?
C9B C16B H16B 108.3 . . ?
C18B C17B C22B 122(2) . . ?
C18B C17B C16B 123(2) . . ?
C22B C17B C16B 115(2) . . ?
C19B C18B C17B 118(2) . . ?
C19B C18B H18B 121.1 . . ?
C17B C18B H18B 121.1 . . ?
C18B C19B C20B 124(2) . . ?
C18B C19B H19B 118.1 . . ?
C20B C19B H19B 118.1 . . ?
C19B C20B C21B 120(2) . . ?
C19B C20B H20B 120.1 . . ?
C21B C20B H20B 120.1 . . ?
C20B C21B C22B 116(2) . . ?
C20B C21B H21B 122.2 . . ?
C22B C21B H21B 122.2 . . ?
C17B C22B C21B 120(2) . . ?
C17B C22B H22B 119.8 . . ?
C21B C22B H22B 119.8 . . ?
N2B C23B C24B 126(2) . . ?
N2B C23B H23B 117.2 . . ?
C24B C23B H23B 117.2 . . ?
C29B C24B C25B 117.5(17) . . ?
C29B C24B C23B 124.4(18) . . ?
C25B C24B C23B 118.1(19) . . ?
C26B C25B C24B 119.5(18) . . ?
C26B C25B H25B 120.3 . . ?
C24B C25B H25B 120.3 . . ?
C25B C26B C27B 121.3(17) . . ?
C25B C26B H26B 119.4 . . ?
C27B C26B H26B 119.4 . . ?
C28B C27B C26B 122.3(19) . . ?
C28B C27B H27B 118.9 . . ?
C26B C27B H27B 118.9 . . ?
C27B C28B C29B 119.8(19) . . ?
C27B C28B O4B 128.2(19) . . ?
C29B C28B O4B 109.9(15) . . ?
O3B C29B C24B 120.5(17) . . ?
O3B C29B C28B 120.5(18) . . ?
C24B C29B C28B 117.4(16) . . ?
O4B C30B H30F 109.5 . . ?
O4B C30B H30D 109.5 . . ?
H30F C30B H30D 109.5 . . ?
O4B C30B H30E 109.5 . . ?
H30F C30B H30E 109.5 . . ?
H30D C30B H30E 109.5 . . ?
O14B C31B H31D 109.5 . . ?
O14B C31B H31E 109.5 . . ?
H31D C31B H31E 109.5 . . ?
O14B C31B H31F 109.5 . . ?
H31D C31B H31F 109.5 . . ?
H31E C31B H31F 109.5 . . ?
C1W O1W H1WO 109.5 . . ?
O1W C1W H1WA 109.5 . . ?
O1W C1W H1WB 109.5 . . ?
H1WA C1W H1WB 109.5 . . ?
O1W C1W H1WC 109.5 . . ?
H1WA C1W H1WC 109.5 . . ?
H1WB C1W H1WC 109.5 . . ?

_refine_diff_density_max         3.731
_refine_diff_density_min         -2.214
_refine_diff_density_rms         0.239


_chemical_properties_physical    Air-sensitive
_exptl_crystal_preparation       'Magnetic properties'
