# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_cluster-1
_database_code_depnum_ccdc_archive 'CCDC 1847201'
_audit_update_record             
;
2018-06-05 deposited with the CCDC.
2019-01-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        Cluster-1
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72.50 H76 Eu2 N4 O26.50 Zn2'
_chemical_formula_weight         1862.03

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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

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

_cell_length_a                   19.051(4)
_cell_length_b                   20.642(4)
_cell_length_c                   22.340(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 100.311(4)
_cell_angle_gamma                90.00
_cell_volume                     8643(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    190(1)
_cell_measurement_reflns_used    7229
_cell_measurement_theta_min      1.3077
_cell_measurement_theta_max      27.8019

_exptl_crystal_description       Block
_exptl_crystal_colour            Yellow
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.431
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3748
_exptl_absorpt_coefficient_mu    2.052
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.7565
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   
'DENZO and Scalepack (Otwinoski and Minor, 1997)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      190(1)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Mercury2 (2x2 bin mode)'
_diffrn_measurement_method       dtprofit.ref
_diffrn_detector_area_resol_mean 13.6612
_diffrn_reflns_number            59567
_diffrn_reflns_av_R_equivalents  0.0843
_diffrn_reflns_av_sigmaI/netI    0.0766
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         1.35
_diffrn_reflns_theta_max         25.00
_reflns_number_total             15174
_reflns_number_gt                11431
_reflns_threshold_expression     >2sigma(I)
_computing_data_collection       'Collect software, Nonius B.V. 1998'
_computing_cell_refinement       'Collect software, Nonius B.V. 1998'
_computing_data_reduction        
;
DENZO and Scalepack (Otwinoski and Minor, 1997)
;
_computing_structure_solution    
;

SIR97 - Altomare A., Burla M.C., Camalli M., Cascarano G.L., Giacovazzo C., 
Guagliardi A., Moliterni A.G.G., Polidori G.,Spagna R.
;
_computing_structure_refinement  'XL SHELXTL/PC, Siemens Analytical'
_computing_molecular_graphics    'XP SHELXTL/PC, Siemens Analytical'
_computing_publication_material  ?



_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 

 Restraints: ISOR was applied to all non-hydrogen atoms to allow their Uij 
 components approximate to isotropic behavior.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0713P)²+139.1446P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         15174
_refine_ls_number_parameters     973
_refine_ls_number_restraints     651
_refine_ls_R_factor_all          0.1158
_refine_ls_R_factor_gt           0.0913
_refine_ls_wR_factor_ref         0.2494
_refine_ls_wR_factor_gt          0.2305
_refine_ls_goodness_of_fit_ref   1.128
_refine_ls_restrained_S_all      1.119
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.66303(3) 0.05759(4) 0.81890(3) 0.0480(2) Uani 1 1 d U . .
Eu2 Eu -0.16322(3) 0.11415(3) 0.19784(3) 0.04159(19) Uani 1 1 d U . .
Zn1 Zn 0.50516(7) 0.05026(7) 0.72040(7) 0.0453(4) Uani 1 1 d U . .
Zn2 Zn -0.00402(7) 0.09226(7) 0.29177(7) 0.0438(3) Uani 1 1 d U . .
N1 N 0.4828(5) -0.0133(5) 0.6469(5) 0.049(3) Uani 1 1 d U . .
N2 N 0.0681(5) 0.1588(5) 0.3361(5) 0.043(2) Uani 1 1 d U . .
N3 N 0.4372(5) 0.1231(5) 0.6856(5) 0.043(2) Uani 1 1 d U . .
N4 N 0.0184(5) 0.0163(5) 0.3530(5) 0.047(2) Uani 1 1 d U . .
O1 O 0.6875(6) -0.0605(6) 0.8244(5) 0.077(3) Uani 1 1 d U . .
O2 O 0.5982(4) -0.0045(4) 0.7421(4) 0.051(2) Uani 1 1 d U . .
O3 O -0.0762(4) 0.1627(4) 0.2682(4) 0.048(2) Uani 1 1 d U . .
O4 O -0.1928(4) 0.2266(4) 0.2395(4) 0.055(2) Uani 1 1 d U . .
O5 O 0.6993(4) 0.1743(5) 0.7928(4) 0.058(2) Uani 1 1 d U . .
O6 O 0.5784(4) 0.1166(4) 0.7553(4) 0.051(2) Uani 1 1 d U . .
O7 O -0.0983(4) 0.0403(3) 0.2638(4) 0.0414(18) Uani 1 1 d U . .
O8 O -0.1934(5) -0.0023(5) 0.1740(5) 0.064(3) Uani 1 1 d U . .
O9 O 0.6962(6) 0.0378(6) 0.9264(5) 0.083(3) Uani 1 1 d U . .
O10 O 0.6474(6) 0.1306(6) 0.8992(6) 0.083(3) Uani 1 1 d U . .
O11 O 0.7900(5) 0.0608(6) 0.8354(6) 0.077(3) Uani 1 1 d U . .
O12 O 0.7349(6) 0.0573(6) 0.7401(5) 0.075(3) Uani 1 1 d U . .
O13 O 0.5626(5) 0.0191(6) 0.8553(5) 0.075(3) Uani 1 1 d U . .
O14 O 0.4632(5) 0.0109(5) 0.7870(4) 0.060(2) Uani 1 1 d U . .
O15 O 0.0347(5) 0.0633(5) 0.2185(4) 0.057(2) Uani 1 1 d U . .
O16 O -0.0654(5) 0.0852(5) 0.1541(4) 0.063(2) Uani 1 1 d U . .
O17 O -0.2328(6) 0.1022(5) 0.2772(5) 0.076(3) Uani 1 1 d U . .
O18 O -0.2898(6) 0.1171(6) 0.1843(6) 0.080(3) Uani 1 1 d U . .
O19 O -0.1542(6) 0.2001(5) 0.1272(5) 0.072(3) Uani 1 1 d U . .
O20 O -0.2044(6) 0.1105(5) 0.0905(5) 0.074(3) Uani 1 1 d U . .
C1 C 0.7462(10) -0.0902(10) 0.8636(10) 0.103(6) Uani 1 1 d U . .
H1A H 0.7666 -0.1231 0.8416 0.154 Uiso 1 1 calc R . .
H1B H 0.7298 -0.1094 0.8977 0.154 Uiso 1 1 calc R . .
H1C H 0.7817 -0.0581 0.8778 0.154 Uiso 1 1 calc R . .
C2 C 0.6395(7) -0.1029(7) 0.7888(7) 0.056(3) Uani 1 1 d U . .
C3 C 0.6388(9) -0.1656(8) 0.7951(7) 0.074(4) Uani 1 1 d U . .
H3A H 0.6715 -0.1860 0.8251 0.089 Uiso 1 1 calc R . .
C4 C 0.5874(9) -0.2021(8) 0.7555(8) 0.077(5) Uani 1 1 d U . .
H4A H 0.5858 -0.2469 0.7590 0.092 Uiso 1 1 calc R . .
C5 C 0.5384(8) -0.1696(7) 0.7104(8) 0.067(4) Uani 1 1 d U . .
H5A H 0.5041 -0.1935 0.6846 0.080 Uiso 1 1 calc R . .
C6 C 0.5405(7) -0.1045(6) 0.7041(6) 0.050(3) Uani 1 1 d U . .
C7 C 0.5917(7) -0.0678(7) 0.7444(6) 0.053(3) Uani 1 1 d U . .
C8 C 0.4939(6) -0.0740(6) 0.6529(6) 0.049(3) Uani 1 1 d U . .
H8A H 0.4706 -0.1009 0.6223 0.058 Uiso 1 1 calc R . .
C9 C 0.4459(6) 0.0085(6) 0.5871(6) 0.046(3) Uani 1 1 d U . .
C10 C 0.3838(7) -0.0192(6) 0.5582(6) 0.051(3) Uani 1 1 d U . .
H10A H 0.3621 -0.0527 0.5758 0.061 Uiso 1 1 calc R . .
C11 C 0.3543(7) 0.0057(7) 0.5003(6) 0.054(3) Uani 1 1 d U . .
H11A H 0.3120 -0.0122 0.4796 0.064 Uiso 1 1 calc R . .
C12 C 0.3858(6) 0.0560(7) 0.4727(6) 0.052(3) Uani 1 1 d U . .
C13 C 0.4478(7) 0.0830(7) 0.5054(6) 0.050(3) Uani 1 1 d U . .
H13A H 0.4703 0.1163 0.4880 0.061 Uiso 1 1 calc R . .
C14 C 0.4770(7) 0.0615(6) 0.5632(6) 0.048(3) Uani 1 1 d U . .
H14A H 0.5165 0.0820 0.5857 0.057 Uiso 1 1 calc R . .
C15 C 0.3581(7) 0.0772(8) 0.4086(6) 0.060(4) Uani 1 1 d U . .
H15B H 0.3868 0.1135 0.3995 0.073 Uiso 1 1 calc R . .
H15A H 0.3656 0.0420 0.3816 0.073 Uiso 1 1 calc R . .
C16 C 0.2812(7) 0.0968(7) 0.3934(6) 0.050(3) Uani 1 1 d U . .
C17 C 0.2496(7) 0.1374(7) 0.4278(6) 0.052(3) Uani 1 1 d U . .
H17A H 0.2764 0.1524 0.4640 0.063 Uiso 1 1 calc R . .
C18 C 0.1799(6) 0.1579(6) 0.4122(6) 0.048(3) Uani 1 1 d U . .
H18A H 0.1599 0.1841 0.4386 0.058 Uiso 1 1 calc R . .
C19 C 0.1397(6) 0.1393(6) 0.3571(6) 0.046(3) Uani 1 1 d U . .
C20 C 0.1709(7) 0.0980(7) 0.3201(7) 0.057(3) Uani 1 1 d U . .
H20A H 0.1447 0.0845 0.2831 0.069 Uiso 1 1 calc R . .
C21 C 0.2404(7) 0.0769(7) 0.3379(6) 0.053(3) Uani 1 1 d U . .
H21A H 0.2603 0.0491 0.3127 0.064 Uiso 1 1 calc R . .
C22 C 0.0506(6) 0.2172(6) 0.3472(6) 0.045(3) Uani 1 1 d U . .
H22A H 0.0872 0.2432 0.3673 0.053 Uiso 1 1 calc R . .
C23 C -0.0180(7) 0.2470(6) 0.3324(6) 0.046(3) Uani 1 1 d U . .
C24 C -0.0252(7) 0.3089(6) 0.3556(6) 0.054(3) Uani 1 1 d U . .
H24A H 0.0146 0.3285 0.3788 0.064 Uiso 1 1 calc R . .
C25 C -0.0877(9) 0.3413(8) 0.3456(8) 0.076(4) Uani 1 1 d U . .
H25A H -0.0918 0.3807 0.3649 0.092 Uiso 1 1 calc R . .
C26 C -0.1466(8) 0.3153(7) 0.3060(7) 0.059(3) Uani 1 1 d U . .
H26A H -0.1893 0.3382 0.2970 0.070 Uiso 1 1 calc R . .
C27 C -0.1400(6) 0.2563(6) 0.2811(6) 0.043(3) Uani 1 1 d U . .
C28 C -0.0771(6) 0.2198(6) 0.2932(5) 0.043(3) Uani 1 1 d U . .
C29 C -0.2555(7) 0.2637(7) 0.2190(7) 0.067(4) Uani 1 1 d U . .
H29A H -0.2811 0.2696 0.2519 0.101 Uiso 1 1 calc R . .
H29B H -0.2852 0.2414 0.1862 0.101 Uiso 1 1 calc R . .
H29C H -0.2424 0.3052 0.2050 0.101 Uiso 1 1 calc R . .
C30 C 0.7582(8) 0.2077(8) 0.8267(8) 0.080(5) Uani 1 1 d U . .
H30A H 0.7871 0.2252 0.7995 0.120 Uiso 1 1 calc R . .
H30B H 0.7861 0.1783 0.8546 0.120 Uiso 1 1 calc R . .
H30C H 0.7413 0.2424 0.8490 0.120 Uiso 1 1 calc R . .
C31 C 0.6504(7) 0.2064(7) 0.7528(7) 0.055(3) Uani 1 1 d U . .
C32 C 0.6609(7) 0.2676(7) 0.7295(7) 0.063(4) Uani 1 1 d U . .
H32A H 0.7046 0.2885 0.7407 0.076 Uiso 1 1 calc R . .
C33 C 0.6059(8) 0.2977(8) 0.6891(8) 0.071(4) Uani 1 1 d U . .
H33A H 0.6142 0.3378 0.6728 0.085 Uiso 1 1 calc R . .
C34 C 0.5418(7) 0.2703(7) 0.6735(7) 0.057(3) Uani 1 1 d U . .
H34A H 0.5053 0.2924 0.6485 0.068 Uiso 1 1 calc R . .
C35 C 0.5291(6) 0.2068(6) 0.6952(6) 0.046(3) Uani 1 1 d U . .
C36 C 0.5849(6) 0.1750(6) 0.7344(5) 0.042(3) Uani 1 1 d U . .
C37 C 0.4582(6) 0.1809(6) 0.6781(6) 0.044(3) Uani 1 1 d U . .
H37A H 0.4235 0.2096 0.6594 0.053 Uiso 1 1 calc R . .
C38 C 0.3633(6) 0.1087(6) 0.6620(5) 0.041(3) Uani 1 1 d U . .
C39 C 0.3248(6) 0.1328(6) 0.6096(6) 0.049(3) Uani 1 1 d U . .
H39A H 0.3469 0.1608 0.5861 0.058 Uiso 1 1 calc R . .
C40 C 0.2552(7) 0.1172(7) 0.5904(6) 0.051(3) Uani 1 1 d U . .
H40A H 0.2299 0.1364 0.5555 0.061 Uiso 1 1 calc R . .
C41 C 0.2211(6) 0.0726(6) 0.6227(6) 0.048(3) Uani 1 1 d U . .
C42 C 0.2600(6) 0.0472(6) 0.6746(6) 0.050(3) Uani 1 1 d U . .
H42A H 0.2386 0.0169 0.6964 0.060 Uiso 1 1 calc R . .
C43 C 0.3305(7) 0.0649(6) 0.6961(6) 0.050(3) Uani 1 1 d U . .
H43A H 0.3553 0.0480 0.7324 0.060 Uiso 1 1 calc R . .
C44 C 0.1442(7) 0.0570(8) 0.6039(6) 0.062(4) Uani 1 1 d U . .
H44A H 0.1170 0.0910 0.6191 0.074 Uiso 1 1 calc R . .
H44B H 0.1348 0.0172 0.6242 0.074 Uiso 1 1 calc R . .
C45 C 0.1155(6) 0.0490(7) 0.5367(6) 0.050(3) Uani 1 1 d U . .
C46 C 0.0554(6) 0.0803(6) 0.5095(6) 0.048(3) Uani 1 1 d U . .
H46A H 0.0332 0.1083 0.5329 0.058 Uiso 1 1 calc R . .
C47 C 0.0257(7) 0.0725(7) 0.4487(6) 0.053(3) Uani 1 1 d U . .
H47A H -0.0129 0.0974 0.4304 0.064 Uiso 1 1 calc R . .
C48 C 0.0557(6) 0.0261(6) 0.4161(6) 0.046(3) Uani 1 1 d U . .
C49 C 0.1169(7) -0.0056(7) 0.4403(6) 0.050(3) Uani 1 1 d U . .
H49A H 0.1385 -0.0341 0.4169 0.060 Uiso 1 1 calc R . .
C50 C 0.1465(7) 0.0059(7) 0.5015(6) 0.057(3) Uani 1 1 d U . .
H50A H 0.1879 -0.0158 0.5188 0.068 Uiso 1 1 calc R . .
C51 C 0.0054(6) -0.0424(6) 0.3347(6) 0.042(3) Uani 1 1 d U . .
H51A H 0.0288 -0.0750 0.3593 0.050 Uiso 1 1 calc R . .
C52 C -0.0411(6) -0.0624(6) 0.2809(5) 0.045(3) Uani 1 1 d U . .
C53 C -0.0406(7) -0.1281(6) 0.2652(6) 0.053(3) Uani 1 1 d U . .
H53A H -0.0071 -0.1559 0.2872 0.064 Uiso 1 1 calc R . .
C54 C -0.0891(8) -0.1515(8) 0.2175(7) 0.068(4) Uani 1 1 d U . .
H54A H -0.0877 -0.1951 0.2073 0.082 Uiso 1 1 calc R . .
C55 C -0.1400(8) -0.1123(8) 0.1845(7) 0.066(4) Uani 1 1 d U . .
H55A H -0.1712 -0.1293 0.1514 0.079 Uiso 1 1 calc R . .
C56 C -0.1456(7) -0.0447(7) 0.2006(6) 0.053(3) Uani 1 1 d U . .
C57 C -0.0926(6) -0.0220(5) 0.2479(5) 0.039(3) Uani 1 1 d U . .
C58 C -0.2521(9) -0.0247(9) 0.1333(8) 0.084(5) Uani 1 1 d U . .
H58A H -0.2362 -0.0522 0.1037 0.127 Uiso 1 1 calc R . .
H58B H -0.2779 0.0114 0.1130 0.127 Uiso 1 1 calc R . .
H58C H -0.2827 -0.0489 0.1548 0.127 Uiso 1 1 calc R . .
C59 C 0.6418(12) 0.0945(12) 0.9974(10) 0.115(7) Uani 1 1 d U . .
H59A H 0.6809 0.1123 1.0257 0.173 Uiso 1 1 calc R . .
H59B H 0.6293 0.0529 1.0115 0.173 Uiso 1 1 calc R . .
H59C H 0.6015 0.1231 0.9940 0.173 Uiso 1 1 calc R . .
C60 C 0.6633(8) 0.0872(10) 0.9361(8) 0.073(4) Uani 1 1 d U . .
C61 C 0.8614(9) 0.0750(9) 0.7596(9) 0.088(5) Uani 1 1 d U . .
H61A H 0.8877 0.0353 0.7601 0.133 Uiso 1 1 calc R . .
H61B H 0.8887 0.1057 0.7865 0.133 Uiso 1 1 calc R . .
H61C H 0.8523 0.0922 0.7190 0.133 Uiso 1 1 calc R . .
C62 C 0.7912(9) 0.0621(8) 0.7803(8) 0.070(4) Uani 1 1 d U . .
C63 C 0.4622(10) -0.0284(10) 0.8848(8) 0.091(5) Uani 1 1 d U . .
H63A H 0.4137 -0.0378 0.8666 0.137 Uiso 1 1 calc R . .
H63B H 0.4628 0.0006 0.9185 0.137 Uiso 1 1 calc R . .
H63C H 0.4861 -0.0680 0.8990 0.137 Uiso 1 1 calc R . .
C64 C 0.4991(7) 0.0020(8) 0.8393(7) 0.062(4) Uani 1 1 d U . .
C65 C 0.0282(11) 0.0390(11) 0.1152(9) 0.103(6) Uani 1 1 d U . .
H65A H -0.0068 0.0418 0.0786 0.155 Uiso 1 1 calc R . .
H65B H 0.0425 -0.0053 0.1225 0.155 Uiso 1 1 calc R . .
H65C H 0.0690 0.0647 0.1109 0.155 Uiso 1 1 calc R . .
C66 C -0.0029(7) 0.0636(7) 0.1674(7) 0.056(3) Uani 1 1 d U . .
C67 C -0.1919(13) 0.1952(12) 0.0198(10) 0.121(8) Uani 1 1 d U . .
H67A H -0.2341 0.2215 0.0123 0.182 Uiso 1 1 calc R . .
H67B H -0.1958 0.1612 -0.0100 0.182 Uiso 1 1 calc R . .
H67C H -0.1510 0.2214 0.0171 0.182 Uiso 1 1 calc R . .
C68 C -0.1835(9) 0.1654(8) 0.0834(8) 0.069(4) Uani 1 1 d U . .
C69 C -0.3583(10) 0.1209(10) 0.2636(10) 0.099(6) Uani 1 1 d U . .
H69A H -0.3890 0.0845 0.2519 0.149 Uiso 1 1 calc R . .
H69B H -0.3818 0.1599 0.2475 0.149 Uiso 1 1 calc R . .
H69C H -0.3474 0.1236 0.3072 0.149 Uiso 1 1 calc R . .
C70 C -0.2912(8) 0.1127(7) 0.2393(8) 0.064(4) Uani 1 1 d U . .
O21 O 0.682(2) 0.151(2) 0.598(2) 0.40(3) Uani 1 1 d DU . .
H21B H 0.6464 0.1393 0.6113 0.593 Uiso 1 1 calc R . .
C71 C 0.742(2) 0.112(2) 0.625(2) 0.24(2) Uani 1 1 d DU . .
H71A H 0.7771 0.1398 0.6494 0.363 Uiso 1 1 calc R . .
H71B H 0.7633 0.0917 0.5942 0.363 Uiso 1 1 calc R . .
H71C H 0.7272 0.0797 0.6510 0.363 Uiso 1 1 calc R . .
O22 O -0.237(2) 0.132(2) 0.3942(19) 0.34(2) Uani 1 1 d DU . .
H22B H -0.2378 0.0947 0.3825 0.516 Uiso 1 1 calc R . .
C72 C -0.163(2) 0.152(3) 0.414(3) 0.34(3) Uani 1 1 d DU . .
H72A H -0.1532 0.1890 0.3905 0.509 Uiso 1 1 calc R . .
H72B H -0.1320 0.1173 0.4084 0.509 Uiso 1 1 calc R . .
H72C H -0.1560 0.1640 0.4563 0.509 Uiso 1 1 calc R . .
O23 O -0.016(4) 0.171(4) -0.064(4) 0.32(4) Uani 0.50 1 d PDU . .
H23A H -0.0561 0.1784 -0.0573 0.473 Uiso 0.50 1 calc PR . .
C73 C 0.034(5) 0.215(5) -0.027(5) 0.35(7) Uani 0.50 1 d PDU . .
H73A H 0.0438 0.2510 -0.0516 0.522 Uiso 0.50 1 calc PR . .
H73B H 0.0782 0.1918 -0.0132 0.522 Uiso 0.50 1 calc PR . .
H73C H 0.0148 0.2295 0.0067 0.522 Uiso 0.50 1 calc PR . .
O1W O -0.1607(19) 0.0114(18) 0.0025(16) 0.299(16) Uani 1 1 d U . .
O2W O 0.013(3) 0.256(3) 0.589(3) 0.51(3) Uani 1 1 d U . .
O3W O 0.644(4) -0.092(4) 0.997(3) 0.59(4) Uani 1 1 d U . .
O4W O 0.863(4) 0.178(4) 0.625(3) 0.59(4) Uani 1 1 d 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
Eu1 O6 2.298(8) . ?
Eu1 O2 2.314(9) . ?
Eu1 O13 2.347(10) . ?
Eu1 O11 2.381(10) . ?
Eu1 O10 2.403(12) . ?
Eu1 O9 2.407(11) . ?
Eu1 O12 2.416(11) . ?
Eu1 O1 2.482(11) . ?
Eu1 O5 2.601(10) . ?
Eu1 C60 2.688(17) . ?
Eu1 C62 2.734(16) . ?
Eu1 C7 3.241(15) . ?
Eu2 O3 2.300(8) . ?
Eu2 O7 2.318(7) . ?
Eu2 O16 2.330(10) . ?
Eu2 O18 2.376(10) . ?
Eu2 O20 2.386(10) . ?
Eu2 O19 2.400(10) . ?
Eu2 O17 2.410(11) . ?
Eu2 O8 2.506(10) . ?
Eu2 O4 2.600(9) . ?
Eu2 C68 2.730(16) . ?
Eu2 C70 2.758(15) . ?
Eu2 C57 3.228(11) . ?
Zn1 O14 1.985(9) . ?
Zn1 O6 2.011(8) . ?
Zn1 N3 2.045(10) . ?
Zn1 O2 2.086(8) . ?
Zn1 N1 2.086(11) . ?
Zn2 O15 2.003(9) . ?
Zn2 O3 2.005(8) . ?
Zn2 N2 2.065(10) . ?
Zn2 N4 2.075(10) . ?
Zn2 O7 2.090(7) . ?
N1 C8 1.273(16) . ?
N1 C9 1.464(16) . ?
N2 C22 1.286(15) . ?
N2 C19 1.419(15) . ?
N3 C37 1.279(15) . ?
N3 C38 1.444(14) . ?
N4 C51 1.289(15) . ?
N4 C48 1.474(16) . ?
O1 C2 1.405(18) . ?
O1 C1 1.429(19) . ?
O2 C7 1.314(16) . ?
O3 C28 1.307(14) . ?
O4 C27 1.384(14) . ?
O4 C29 1.424(15) . ?
O5 C31 1.344(16) . ?
O5 C30 1.416(17) . ?
O6 C36 1.307(14) . ?
O7 C57 1.344(13) . ?
O8 C56 1.324(17) . ?
O8 C58 1.389(17) . ?
O9 C60 1.24(2) . ?
O10 C60 1.22(2) . ?
O11 C62 1.236(18) . ?
O12 C62 1.273(18) . ?
O13 C64 1.251(16) . ?
O14 C64 1.257(16) . ?
O15 C66 1.233(16) . ?
O16 C66 1.258(16) . ?
O17 C70 1.290(18) . ?
O18 C70 1.237(19) . ?
O19 C68 1.260(18) . ?
O20 C68 1.220(18) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C3 1.30(2) . ?
C2 C7 1.419(18) . ?
C3 C4 1.41(2) . ?
C3 H3A 0.9300 . ?
C4 C5 1.41(2) . ?
C4 H4A 0.9300 . ?
C5 C6 1.354(19) . ?
C5 H5A 0.9300 . ?
C6 C7 1.422(19) . ?
C6 C8 1.460(18) . ?
C8 H8A 0.9300 . ?
C9 C10 1.367(17) . ?
C9 C14 1.395(17) . ?
C10 C11 1.411(18) . ?
C10 H10A 0.9300 . ?
C11 C12 1.396(19) . ?
C11 H11A 0.9300 . ?
C12 C13 1.390(18) . ?
C12 C15 1.501(19) . ?
C13 C14 1.384(17) . ?
C13 H13A 0.9300 . ?
C14 H14A 0.9300 . ?
C15 C16 1.499(17) . ?
C15 H15B 0.9700 . ?
C15 H15A 0.9700 . ?
C16 C17 1.350(18) . ?
C16 C21 1.402(18) . ?
C17 C18 1.378(17) . ?
C17 H17A 0.9300 . ?
C18 C19 1.383(17) . ?
C18 H18A 0.9300 . ?
C19 C20 1.391(18) . ?
C20 C21 1.383(18) . ?
C20 H20A 0.9300 . ?
C21 H21A 0.9300 . ?
C22 C23 1.430(17) . ?
C22 H22A 0.9300 . ?
C23 C24 1.394(17) . ?
C23 C28 1.412(17) . ?
C24 C25 1.35(2) . ?
C24 H24A 0.9300 . ?
C25 C26 1.41(2) . ?
C25 H25A 0.9300 . ?
C26 C27 1.354(18) . ?
C26 H26A 0.9300 . ?
C27 C28 1.401(16) . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 C32 1.40(2) . ?
C31 C36 1.400(17) . ?
C32 C33 1.40(2) . ?
C32 H32A 0.9300 . ?
C33 C34 1.336(19) . ?
C33 H33A 0.9300 . ?
C34 C35 1.432(18) . ?
C34 H34A 0.9300 . ?
C35 C36 1.412(17) . ?
C35 C37 1.440(16) . ?
C37 H37A 0.9300 . ?
C38 C39 1.359(17) . ?
C38 C43 1.400(17) . ?
C39 C40 1.357(17) . ?
C39 H39A 0.9300 . ?
C40 C41 1.399(17) . ?
C40 H40A 0.9300 . ?
C41 C42 1.363(17) . ?
C41 C44 1.486(17) . ?
C42 C43 1.392(17) . ?
C42 H42A 0.9300 . ?
C43 H43A 0.9300 . ?
C44 C45 1.511(19) . ?
C44 H44A 0.9700 . ?
C44 H44B 0.9700 . ?
C45 C46 1.360(18) . ?
C45 C50 1.388(19) . ?
C46 C47 1.385(18) . ?
C46 H46A 0.9300 . ?
C47 C48 1.387(18) . ?
C47 H47A 0.9300 . ?
C48 C49 1.362(17) . ?
C49 C50 1.402(18) . ?
C49 H49A 0.9300 . ?
C50 H50A 0.9300 . ?
C51 C52 1.420(17) . ?
C51 H51A 0.9300 . ?
C52 C57 1.394(16) . ?
C52 C53 1.401(17) . ?
C53 C54 1.367(19) . ?
C53 H53A 0.9300 . ?
C54 C55 1.37(2) . ?
C54 H54A 0.9300 . ?
C55 C56 1.45(2) . ?
C55 H55A 0.9300 . ?
C56 C57 1.406(17) . ?
C58 H58A 0.9600 . ?
C58 H58B 0.9600 . ?
C58 H58C 0.9600 . ?
C59 C60 1.51(3) . ?
C59 H59A 0.9600 . ?
C59 H59B 0.9600 . ?
C59 H59C 0.9600 . ?
C61 C62 1.51(2) . ?
C61 H61A 0.9600 . ?
C61 H61B 0.9600 . ?
C61 H61C 0.9600 . ?
C63 C64 1.48(2) . ?
C63 H63A 0.9600 . ?
C63 H63B 0.9600 . ?
C63 H63C 0.9600 . ?
C65 C66 1.49(2) . ?
C65 H65A 0.9600 . ?
C65 H65B 0.9600 . ?
C65 H65C 0.9600 . ?
C67 C68 1.53(3) . ?
C67 H67A 0.9600 . ?
C67 H67B 0.9600 . ?
C67 H67C 0.9600 . ?
C69 C70 1.49(2) . ?
C69 H69A 0.9600 . ?
C69 H69B 0.9600 . ?
C69 H69C 0.9600 . ?
O21 C71 1.446(10) . ?
O21 H21B 0.8200 . ?
C71 H71A 0.9600 . ?
C71 H71B 0.9600 . ?
C71 H71C 0.9600 . ?
O22 C72 1.451(10) . ?
O22 H22B 0.8200 . ?
C72 H72A 0.9600 . ?
C72 H72B 0.9600 . ?
C72 H72C 0.9600 . ?
O23 C73 1.450(10) . ?
O23 H23A 0.8200 . ?
C73 H73A 0.9600 . ?
C73 H73B 0.9600 . ?
C73 H73C 0.9600 . ?

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
O6 Eu1 O2 67.2(3) . . ?
O6 Eu1 O13 82.5(3) . . ?
O2 Eu1 O13 73.1(3) . . ?
O6 Eu1 O11 131.4(4) . . ?
O2 Eu1 O11 121.5(4) . . ?
O13 Eu1 O11 145.5(4) . . ?
O6 Eu1 O10 87.8(4) . . ?
O2 Eu1 O10 141.3(4) . . ?
O13 Eu1 O10 74.7(4) . . ?
O11 Eu1 O10 97.2(4) . . ?
O6 Eu1 O9 137.5(4) . . ?
O2 Eu1 O9 131.0(4) . . ?
O13 Eu1 O9 71.4(4) . . ?
O11 Eu1 O9 76.9(4) . . ?
O10 Eu1 O9 53.6(4) . . ?
O6 Eu1 O12 88.7(4) . . ?
O2 Eu1 O12 75.8(3) . . ?
O13 Eu1 O12 148.8(4) . . ?
O11 Eu1 O12 54.5(4) . . ?
O10 Eu1 O12 135.1(4) . . ?
O9 Eu1 O12 130.2(4) . . ?
O6 Eu1 O1 131.0(3) . . ?
O2 Eu1 O1 64.1(3) . . ?
O13 Eu1 O1 78.9(4) . . ?
O11 Eu1 O1 81.0(4) . . ?
O10 Eu1 O1 128.8(4) . . ?
O9 Eu1 O1 76.7(4) . . ?
O12 Eu1 O1 84.7(4) . . ?
O6 Eu1 O5 63.6(3) . . ?
O2 Eu1 O5 118.3(3) . . ?
O13 Eu1 O5 131.0(4) . . ?
O11 Eu1 O5 72.9(3) . . ?
O10 Eu1 O5 70.1(4) . . ?
O9 Eu1 O5 110.4(4) . . ?
O12 Eu1 O5 68.3(3) . . ?
O1 Eu1 O5 150.0(3) . . ?
O6 Eu1 C60 111.1(5) . . ?
O2 Eu1 C60 139.1(4) . . ?
O13 Eu1 C60 66.3(4) . . ?
O11 Eu1 C60 91.1(5) . . ?
O10 Eu1 C60 27.0(5) . . ?
O9 Eu1 C60 27.4(5) . . ?
O12 Eu1 C60 143.9(4) . . ?
O1 Eu1 C60 102.0(5) . . ?
O5 Eu1 C60 93.1(5) . . ?
O6 Eu1 C62 110.7(4) . . ?
O2 Eu1 C62 99.9(4) . . ?
O13 Eu1 C62 161.9(5) . . ?
O11 Eu1 C62 26.8(4) . . ?
O10 Eu1 C62 116.9(5) . . ?
O9 Eu1 C62 103.4(5) . . ?
O12 Eu1 C62 27.7(4) . . ?
O1 Eu1 C62 83.0(4) . . ?
O5 Eu1 C62 67.0(4) . . ?
C60 Eu1 C62 117.0(5) . . ?
O6 Eu1 C7 85.6(3) . . ?
O2 Eu1 C7 19.6(3) . . ?
O13 Eu1 C7 67.4(4) . . ?
O11 Eu1 C7 115.0(4) . . ?
O10 Eu1 C7 142.0(4) . . ?
O9 Eu1 C7 112.8(4) . . ?
O12 Eu1 C7 82.2(3) . . ?
O1 Eu1 C7 45.5(3) . . ?
O5 Eu1 C7 136.7(3) . . ?
C60 Eu1 C7 127.5(5) . . ?
C62 Eu1 C7 100.4(4) . . ?
O3 Eu2 O7 67.3(3) . . ?
O3 Eu2 O16 82.2(3) . . ?
O7 Eu2 O16 73.9(3) . . ?
O3 Eu2 O18 131.8(4) . . ?
O7 Eu2 O18 120.7(4) . . ?
O16 Eu2 O18 145.3(4) . . ?
O3 Eu2 O20 140.1(3) . . ?
O7 Eu2 O20 131.3(3) . . ?
O16 Eu2 O20 73.4(4) . . ?
O18 Eu2 O20 74.3(4) . . ?
O3 Eu2 O19 90.0(3) . . ?
O7 Eu2 O19 144.2(3) . . ?
O16 Eu2 O19 75.9(4) . . ?
O18 Eu2 O19 95.1(4) . . ?
O20 Eu2 O19 54.0(4) . . ?
O3 Eu2 O17 88.0(4) . . ?
O7 Eu2 O17 76.5(3) . . ?
O16 Eu2 O17 150.3(4) . . ?
O18 Eu2 O17 54.3(4) . . ?
O20 Eu2 O17 127.7(4) . . ?
O19 Eu2 O17 132.3(4) . . ?
O3 Eu2 O8 132.3(3) . . ?
O7 Eu2 O8 65.2(3) . . ?
O16 Eu2 O8 80.6(3) . . ?
O18 Eu2 O8 78.9(4) . . ?
O20 Eu2 O8 74.6(3) . . ?
O19 Eu2 O8 127.6(4) . . ?
O17 Eu2 O8 85.6(4) . . ?
O3 Eu2 O4 62.8(3) . . ?
O7 Eu2 O4 119.0(3) . . ?
O16 Eu2 O4 128.3(3) . . ?
O18 Eu2 O4 75.1(3) . . ?
O20 Eu2 O4 109.5(3) . . ?
O19 Eu2 O4 67.8(3) . . ?
O17 Eu2 O4 69.2(3) . . ?
O8 Eu2 O4 151.1(3) . . ?
O3 Eu2 C68 115.8(4) . . ?
O7 Eu2 C68 145.2(4) . . ?
O16 Eu2 C68 72.3(4) . . ?
O18 Eu2 C68 84.3(5) . . ?
O20 Eu2 C68 26.5(4) . . ?
O19 Eu2 C68 27.5(4) . . ?
O17 Eu2 C68 136.4(4) . . ?
O8 Eu2 C68 100.6(4) . . ?
O4 Eu2 C68 89.2(4) . . ?
O3 Eu2 C70 110.4(4) . . ?
O7 Eu2 C70 100.5(4) . . ?
O16 Eu2 C70 163.4(4) . . ?
O18 Eu2 C70 26.6(4) . . ?
O20 Eu2 C70 100.7(5) . . ?
O19 Eu2 C70 113.6(4) . . ?
O17 Eu2 C70 27.9(4) . . ?
O8 Eu2 C70 83.0(4) . . ?
O4 Eu2 C70 68.2(4) . . ?
C68 Eu2 C70 109.5(5) . . ?
O3 Eu2 C57 86.4(3) . . ?
O7 Eu2 C57 20.8(3) . . ?
O16 Eu2 C57 66.9(3) . . ?
O18 Eu2 C57 114.6(3) . . ?
O20 Eu2 C57 111.2(3) . . ?
O19 Eu2 C57 142.8(3) . . ?
O17 Eu2 C57 84.6(3) . . ?
O8 Eu2 C57 45.9(3) . . ?
O4 Eu2 C57 139.2(3) . . ?
C68 Eu2 C57 130.0(4) . . ?
C70 Eu2 C57 102.3(4) . . ?
O14 Zn1 O6 109.4(4) . . ?
O14 Zn1 N3 105.9(4) . . ?
O6 Zn1 N3 89.7(4) . . ?
O14 Zn1 O2 92.5(4) . . ?
O6 Zn1 O2 77.1(3) . . ?
N3 Zn1 O2 160.2(4) . . ?
O14 Zn1 N1 106.3(4) . . ?
O6 Zn1 N1 139.8(4) . . ?
N3 Zn1 N1 97.9(4) . . ?
O2 Zn1 N1 83.5(4) . . ?
O14 Zn1 Eu1 87.8(3) . . ?
O6 Zn1 Eu1 41.0(2) . . ?
N3 Zn1 Eu1 129.8(3) . . ?
O2 Zn1 Eu1 42.0(2) . . ?
N1 Zn1 Eu1 124.8(3) . . ?
O15 Zn2 O3 109.7(4) . . ?
O15 Zn2 N2 106.2(4) . . ?
O3 Zn2 N2 90.6(4) . . ?
O15 Zn2 N4 104.6(4) . . ?
O3 Zn2 N4 140.5(4) . . ?
N2 Zn2 N4 98.4(4) . . ?
O15 Zn2 O7 91.5(3) . . ?
O3 Zn2 O7 77.4(3) . . ?
N2 Zn2 O7 161.2(4) . . ?
N4 Zn2 O7 82.7(3) . . ?
O15 Zn2 Eu2 87.3(3) . . ?
O3 Zn2 Eu2 41.1(2) . . ?
N2 Zn2 Eu2 130.7(3) . . ?
N4 Zn2 Eu2 124.3(3) . . ?
O7 Zn2 Eu2 42.1(2) . . ?
C8 N1 C9 116.2(11) . . ?
C8 N1 Zn1 122.0(9) . . ?
C9 N1 Zn1 121.4(8) . . ?
C22 N2 C19 117.9(10) . . ?
C22 N2 Zn2 122.9(8) . . ?
C19 N2 Zn2 119.2(8) . . ?
C37 N3 C38 116.9(10) . . ?
C37 N3 Zn1 123.0(8) . . ?
C38 N3 Zn1 119.8(7) . . ?
C51 N4 C48 117.7(11) . . ?
C51 N4 Zn2 119.8(9) . . ?
C48 N4 Zn2 122.2(8) . . ?
C2 O1 C1 116.0(13) . . ?
C2 O1 Eu1 119.1(8) . . ?
C1 O1 Eu1 124.9(11) . . ?
C7 O2 Zn1 117.8(8) . . ?
C7 O2 Eu1 124.3(8) . . ?
Zn1 O2 Eu1 101.0(4) . . ?
C28 O3 Zn2 127.1(7) . . ?
C28 O3 Eu2 128.5(7) . . ?
Zn2 O3 Eu2 103.9(3) . . ?
C27 O4 C29 116.3(10) . . ?
C27 O4 Eu2 117.3(7) . . ?
C29 O4 Eu2 126.0(8) . . ?
C31 O5 C30 120.3(12) . . ?
C31 O5 Eu1 115.1(7) . . ?
C30 O5 Eu1 123.3(9) . . ?
C36 O6 Zn1 126.4(8) . . ?
C36 O6 Eu1 127.6(7) . . ?
Zn1 O6 Eu1 103.9(4) . . ?
C57 O7 Zn2 117.6(7) . . ?
C57 O7 Eu2 121.4(7) . . ?
Zn2 O7 Eu2 100.6(3) . . ?
C56 O8 C58 118.8(12) . . ?
C56 O8 Eu2 115.2(7) . . ?
C58 O8 Eu2 125.9(9) . . ?
C60 O9 Eu1 89.0(10) . . ?
C60 O10 Eu1 89.7(11) . . ?
C62 O11 Eu1 92.7(10) . . ?
C62 O12 Eu1 90.2(9) . . ?
C64 O13 Eu1 143.5(10) . . ?
C64 O14 Zn1 122.1(9) . . ?
C66 O15 Zn2 121.1(9) . . ?
C66 O16 Eu2 141.9(9) . . ?
C70 O17 Eu2 91.3(10) . . ?
C70 O18 Eu2 94.2(9) . . ?
C68 O19 Eu2 91.0(9) . . ?
C68 O20 Eu2 92.6(10) . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C3 C2 O1 125.2(13) . . ?
C3 C2 C7 124.4(15) . . ?
O1 C2 C7 110.4(12) . . ?
C2 C3 C4 118.8(14) . . ?
C2 C3 H3A 120.6 . . ?
C4 C3 H3A 120.6 . . ?
C5 C4 C3 119.2(15) . . ?
C5 C4 H4A 120.4 . . ?
C3 C4 H4A 120.4 . . ?
C6 C5 C4 121.1(16) . . ?
C6 C5 H5A 119.5 . . ?
C4 C5 H5A 119.5 . . ?
C5 C6 C7 119.6(13) . . ?
C5 C6 C8 119.0(13) . . ?
C7 C6 C8 121.3(12) . . ?
O2 C7 C2 118.8(12) . . ?
O2 C7 C6 124.3(12) . . ?
C2 C7 C6 116.9(13) . . ?
O2 C7 Eu1 36.2(6) . . ?
C2 C7 Eu1 83.8(9) . . ?
C6 C7 Eu1 158.0(9) . . ?
N1 C8 C6 124.9(13) . . ?
N1 C8 H8A 117.5 . . ?
C6 C8 H8A 117.5 . . ?
C10 C9 C14 122.4(12) . . ?
C10 C9 N1 122.5(12) . . ?
C14 C9 N1 115.0(11) . . ?
C9 C10 C11 116.8(12) . . ?
C9 C10 H10A 121.6 . . ?
C11 C10 H10A 121.6 . . ?
C12 C11 C10 122.8(12) . . ?
C12 C11 H11A 118.6 . . ?
C10 C11 H11A 118.6 . . ?
C13 C12 C11 117.3(12) . . ?
C13 C12 C15 120.3(12) . . ?
C11 C12 C15 122.2(12) . . ?
C14 C13 C12 121.5(12) . . ?
C14 C13 H13A 119.3 . . ?
C12 C13 H13A 119.3 . . ?
C13 C14 C9 118.8(12) . . ?
C13 C14 H14A 120.6 . . ?
C9 C14 H14A 120.6 . . ?
C16 C15 C12 117.2(11) . . ?
C16 C15 H15B 108.0 . . ?
C12 C15 H15B 108.0 . . ?
C16 C15 H15A 108.0 . . ?
C12 C15 H15A 108.0 . . ?
H15B C15 H15A 107.2 . . ?
C17 C16 C21 116.9(12) . . ?
C17 C16 C15 123.8(13) . . ?
C21 C16 C15 119.0(12) . . ?
C16 C17 C18 123.7(13) . . ?
C16 C17 H17A 118.1 . . ?
C18 C17 H17A 118.1 . . ?
C17 C18 C19 119.6(12) . . ?
C17 C18 H18A 120.2 . . ?
C19 C18 H18A 120.2 . . ?
C18 C19 C20 118.1(12) . . ?
C18 C19 N2 124.1(11) . . ?
C20 C19 N2 117.7(11) . . ?
C21 C20 C19 120.8(13) . . ?
C21 C20 H20A 119.6 . . ?
C19 C20 H20A 119.6 . . ?
C20 C21 C16 120.8(13) . . ?
C20 C21 H21A 119.6 . . ?
C16 C21 H21A 119.6 . . ?
N2 C22 C23 128.1(11) . . ?
N2 C22 H22A 116.0 . . ?
C23 C22 H22A 116.0 . . ?
C24 C23 C28 118.3(12) . . ?
C24 C23 C22 117.0(11) . . ?
C28 C23 C22 124.5(11) . . ?
C25 C24 C23 122.4(13) . . ?
C25 C24 H24A 118.8 . . ?
C23 C24 H24A 118.8 . . ?
C24 C25 C26 119.7(14) . . ?
C24 C25 H25A 120.2 . . ?
C26 C25 H25A 120.2 . . ?
C27 C26 C25 118.7(13) . . ?
C27 C26 H26A 120.7 . . ?
C25 C26 H26A 120.7 . . ?
C26 C27 O4 124.4(11) . . ?
C26 C27 C28 122.9(12) . . ?
O4 C27 C28 112.6(10) . . ?
O3 C28 C27 118.6(11) . . ?
O3 C28 C23 123.6(11) . . ?
C27 C28 C23 117.8(11) . . ?
O4 C29 H29A 109.5 . . ?
O4 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
O4 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
O5 C30 H30A 109.5 . . ?
O5 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
O5 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
O5 C31 C32 124.4(12) . . ?
O5 C31 C36 116.3(12) . . ?
C32 C31 C36 119.2(13) . . ?
C31 C32 C33 120.1(14) . . ?
C31 C32 H32A 120.0 . . ?
C33 C32 H32A 120.0 . . ?
C34 C33 C32 121.6(15) . . ?
C34 C33 H33A 119.2 . . ?
C32 C33 H33A 119.2 . . ?
C33 C34 C35 120.1(14) . . ?
C33 C34 H34A 119.9 . . ?
C35 C34 H34A 119.9 . . ?
C36 C35 C34 118.7(11) . . ?
C36 C35 C37 123.9(11) . . ?
C34 C35 C37 117.2(11) . . ?
O6 C36 C31 117.2(11) . . ?
O6 C36 C35 122.8(10) . . ?
C31 C36 C35 120.0(12) . . ?
O6 C36 Eu1 33.9(5) . . ?
C31 C36 Eu1 83.3(8) . . ?
C35 C36 Eu1 156.7(8) . . ?
N3 C37 C35 127.8(12) . . ?
N3 C37 H37A 116.1 . . ?
C35 C37 H37A 116.1 . . ?
C39 C38 C43 118.8(11) . . ?
C39 C38 N3 125.4(11) . . ?
C43 C38 N3 115.8(11) . . ?
C40 C39 C38 122.0(12) . . ?
C40 C39 H39A 119.0 . . ?
C38 C39 H39A 119.0 . . ?
C39 C40 C41 120.7(12) . . ?
C39 C40 H40A 119.6 . . ?
C41 C40 H40A 119.6 . . ?
C42 C41 C40 117.4(12) . . ?
C42 C41 C44 121.0(12) . . ?
C40 C41 C44 121.4(12) . . ?
C41 C42 C43 122.4(12) . . ?
C41 C42 H42A 118.8 . . ?
C43 C42 H42A 118.8 . . ?
C42 C43 C38 118.6(12) . . ?
C42 C43 H43A 120.7 . . ?
C38 C43 H43A 120.7 . . ?
C41 C44 C45 117.9(11) . . ?
C41 C44 H44A 107.8 . . ?
C45 C44 H44A 107.8 . . ?
C41 C44 H44B 107.8 . . ?
C45 C44 H44B 107.8 . . ?
H44A C44 H44B 107.2 . . ?
C46 C45 C50 117.4(12) . . ?
C46 C45 C44 121.2(12) . . ?
C50 C45 C44 121.3(12) . . ?
C45 C46 C47 123.1(12) . . ?
C45 C46 H46A 118.4 . . ?
C47 C46 H46A 118.4 . . ?
C46 C47 C48 117.5(12) . . ?
C46 C47 H47A 121.2 . . ?
C48 C47 H47A 121.2 . . ?
C49 C48 C47 121.8(12) . . ?
C49 C48 N4 123.1(11) . . ?
C47 C48 N4 115.1(11) . . ?
C48 C49 C50 118.2(13) . . ?
C48 C49 H49A 120.9 . . ?
C50 C49 H49A 120.9 . . ?
C45 C50 C49 121.6(12) . . ?
C45 C50 H50A 119.2 . . ?
C49 C50 H50A 119.2 . . ?
N4 C51 C52 126.7(12) . . ?
N4 C51 H51A 116.7 . . ?
C52 C51 H51A 116.7 . . ?
C57 C52 C53 118.8(12) . . ?
C57 C52 C51 123.1(11) . . ?
C53 C52 C51 117.6(11) . . ?
C54 C53 C52 120.2(13) . . ?
C54 C53 H53A 119.9 . . ?
C52 C53 H53A 119.9 . . ?
C53 C54 C55 121.7(15) . . ?
C53 C54 H54A 119.2 . . ?
C55 C54 H54A 119.2 . . ?
C54 C55 C56 120.7(14) . . ?
C54 C55 H55A 119.7 . . ?
C56 C55 H55A 119.7 . . ?
O8 C56 C57 117.4(12) . . ?
O8 C56 C55 126.9(12) . . ?
C57 C56 C55 115.6(13) . . ?
O7 C57 C52 121.0(11) . . ?
O7 C57 C56 115.8(11) . . ?
C52 C57 C56 122.8(11) . . ?
O7 C57 Eu2 37.8(5) . . ?
C52 C57 Eu2 156.1(8) . . ?
C56 C57 Eu2 80.2(8) . . ?
O8 C58 H58A 109.5 . . ?
O8 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
O8 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C60 C59 H59A 109.5 . . ?
C60 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C60 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
O10 C60 O9 124.2(16) . . ?
O10 C60 C59 117.8(18) . . ?
O9 C60 C59 118.1(18) . . ?
O10 C60 Eu1 63.4(9) . . ?
O9 C60 Eu1 63.6(9) . . ?
C59 C60 Eu1 162.9(13) . . ?
C62 C61 H61A 109.5 . . ?
C62 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
C62 C61 H61C 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
O11 C62 O12 122.4(15) . . ?
O11 C62 C61 118.9(15) . . ?
O12 C62 C61 118.5(15) . . ?
O11 C62 Eu1 60.5(8) . . ?
O12 C62 Eu1 62.1(8) . . ?
C61 C62 Eu1 171.8(12) . . ?
C64 C63 H63A 109.5 . . ?
C64 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C64 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
O13 C64 O14 124.2(13) . . ?
O13 C64 C63 118.6(14) . . ?
O14 C64 C63 117.1(13) . . ?
C66 C65 H65A 109.5 . . ?
C66 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
C66 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
O15 C66 O16 126.1(13) . . ?
O15 C66 C65 118.5(13) . . ?
O16 C66 C65 115.4(14) . . ?
C68 C67 H67A 109.5 . . ?
C68 C67 H67B 109.5 . . ?
H67A C67 H67B 109.5 . . ?
C68 C67 H67C 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
O20 C68 O19 122.3(15) . . ?
O20 C68 C67 120.8(17) . . ?
O19 C68 C67 116.9(16) . . ?
O20 C68 Eu2 60.8(8) . . ?
O19 C68 Eu2 61.5(8) . . ?
C67 C68 Eu2 177.7(14) . . ?
C70 C69 H69A 109.5 . . ?
C70 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
C70 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
O18 C70 O17 119.7(14) . . ?
O18 C70 C69 121.9(15) . . ?
O17 C70 C69 118.4(16) . . ?
O18 C70 Eu2 59.2(8) . . ?
O17 C70 Eu2 60.9(8) . . ?
C69 C70 Eu2 172.5(12) . . ?
C71 O21 H21B 109.5 . . ?
O21 C71 H71A 109.5 . . ?
O21 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
O21 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C72 O22 H22B 109.5 . . ?
O22 C72 H72A 109.5 . . ?
O22 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
O22 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C73 O23 H23A 109.5 . . ?
O23 C73 H73A 109.5 . . ?
O23 C73 H73B 109.5 . . ?
H73A C73 H73B 109.5 . . ?
O23 C73 H73C 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         2.508
_refine_diff_density_min         -1.439
_refine_diff_density_rms         0.176
_exptl_crystal_recrystallization_method 'Vapour deposition'
_chemical_properties_physical    Heat-sensitive
_exptl_crystal_preparation       Luminescent
####################################################################### 
# 
# 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_cluster-2
_database_code_depnum_ccdc_archive 'CCDC 1847202'
_audit_update_record             
;
2018-06-05 deposited with the CCDC.
2019-01-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        Cluster-2
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C73 H78 N4 Nd2 O26 Zn2'
_chemical_formula_weight         1846.61

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'
Nd Nd -0.1943 3.0179 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

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

_cell_length_a                   19.141(4)
_cell_length_b                   20.744(4)
_cell_length_c                   22.564(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 100.827(3)
_cell_angle_gamma                90.00
_cell_volume                     8800(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    190(1)
_cell_measurement_reflns_used    7916
_cell_measurement_theta_min      1.3118
_cell_measurement_theta_max      27.6265

_exptl_crystal_description       Block
_exptl_crystal_colour            Yellow
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.11
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.394
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3728
_exptl_absorpt_coefficient_mu    1.770
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.7288
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   
'DENZO and Scalepack (Otwinoski and Minor, 1997)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      190(1)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Mercury2 (2x2 bin mode)'
_diffrn_measurement_method       dtprofit.ref
_diffrn_detector_area_resol_mean 13.6612
_diffrn_reflns_number            65312
_diffrn_reflns_av_R_equivalents  0.1340
_diffrn_reflns_av_sigmaI/netI    0.1343
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.28
_diffrn_reflns_theta_max         25.00
_reflns_number_total             15491
_reflns_number_gt                9158
_reflns_threshold_expression     >2sigma(I)
_computing_data_collection       'Collect software, Nonius B.V. 1998'
_computing_cell_refinement       'Collect software, Nonius B.V. 1998'
_computing_data_reduction        
;
DENZO and Scalepack (Otwinoski and Minor, 1997)
;
_computing_structure_solution    
;

SIR97 - Altomare A., Burla M.C., Camalli M., Cascarano G.L., Giacovazzo C., 
Guagliardi A., Moliterni A.G.G., Polidori G.,Spagna R.
;
_computing_structure_refinement  'XL SHELXTL/PC, Siemens Analytical'
_computing_molecular_graphics    'XP SHELXTL/PC, Siemens Analytical'
_computing_publication_material  ?



_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 

 Restraints: ISOR was applied to all non-hydrogen atoms to allow their Uij 
 components approximate to isotropic behavior.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1237P)²+57.6717P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         15491
_refine_ls_number_parameters     964
_refine_ls_number_restraints     645
_refine_ls_R_factor_all          0.1601
_refine_ls_R_factor_gt           0.0932
_refine_ls_wR_factor_ref         0.2986
_refine_ls_wR_factor_gt          0.2395
_refine_ls_goodness_of_fit_ref   1.123
_refine_ls_restrained_S_all      1.113
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Nd1 Nd 0.66734(3) 0.55513(4) 0.31983(4) 0.0509(3) Uani 1 1 d U . .
Nd2 Nd -0.16633(3) 0.61692(4) -0.30132(4) 0.0461(2) Uani 1 1 d U . .
Zn1 Zn 0.50693(7) 0.54744(8) 0.21946(7) 0.0428(4) Uani 1 1 d U . .
Zn2 Zn -0.00483(7) 0.59177(7) -0.20584(7) 0.0430(4) Uani 1 1 d U . .
N1 N 0.4839(5) 0.4844(5) 0.1461(5) 0.044(3) Uani 1 1 d U . .
N2 N 0.0692(5) 0.6578(5) -0.1618(5) 0.044(3) Uani 1 1 d U . .
N3 N 0.4372(5) 0.6204(5) 0.1838(5) 0.041(2) Uani 1 1 d U . .
N4 N 0.0179(5) 0.5163(5) -0.1447(5) 0.045(3) Uani 1 1 d U . .
O1 O 0.6904(6) 0.4335(5) 0.3215(5) 0.072(3) Uani 1 1 d U . .
O2 O 0.5995(4) 0.4919(5) 0.2411(4) 0.051(2) Uani 1 1 d U . .
O3 O -0.0749(4) 0.6633(4) -0.2272(4) 0.048(2) Uani 1 1 d U . .
O4 O -0.1900(5) 0.7303(4) -0.2566(4) 0.055(2) Uani 1 1 d U . .
O5 O 0.6970(4) 0.6733(5) 0.2942(5) 0.062(3) Uani 1 1 d U . .
O6 O 0.5792(4) 0.6147(5) 0.2535(4) 0.052(2) Uani 1 1 d U . .
O7 O -0.0998(4) 0.5404(4) -0.2337(4) 0.043(2) Uani 1 1 d U . .
O8 O -0.1947(4) 0.4982(5) -0.3240(5) 0.059(3) Uani 1 1 d U . .
O9 O 0.6996(6) 0.5321(7) 0.4281(6) 0.089(4) Uani 1 1 d U . .
O10 O 0.6537(6) 0.6276(7) 0.4019(6) 0.084(3) Uani 1 1 d U . .
O11 O 0.7972(6) 0.5599(6) 0.3374(6) 0.085(3) Uani 1 1 d U . .
O12 O 0.7436(6) 0.5554(6) 0.2433(6) 0.080(3) Uani 1 1 d U . .
O13 O 0.5632(5) 0.5176(5) 0.3538(5) 0.067(3) Uani 1 1 d U . .
O14 O 0.4648(4) 0.5091(5) 0.2854(4) 0.054(2) Uani 1 1 d U . .
O15 O 0.0331(5) 0.5626(5) -0.2777(5) 0.056(2) Uani 1 1 d U . .
O16 O -0.0647(5) 0.5864(5) -0.3438(5) 0.068(3) Uani 1 1 d U . .
O17 O -0.2410(6) 0.6044(6) -0.2245(5) 0.077(3) Uani 1 1 d U . .
O18 O -0.2970(6) 0.6217(6) -0.3174(6) 0.080(3) Uani 1 1 d U . .
O19 O -0.1591(6) 0.7028(5) -0.3734(5) 0.068(3) Uani 1 1 d U . .
O20 O -0.2063(6) 0.6132(6) -0.4106(5) 0.078(3) Uani 1 1 d U . .
C1 C 0.7497(10) 0.4044(11) 0.3615(10) 0.107(7) Uani 1 1 d U . .
H1A H 0.7704 0.3716 0.3402 0.160 Uiso 1 1 calc R . .
H1B H 0.7334 0.3855 0.3953 0.160 Uiso 1 1 calc R . .
H1C H 0.7848 0.4368 0.3756 0.160 Uiso 1 1 calc R . .
C2 C 0.6414(8) 0.3945(8) 0.2847(8) 0.061(4) Uani 1 1 d U . .
C3 C 0.6384(9) 0.3298(9) 0.2900(8) 0.077(5) Uani 1 1 d U . .
H3A H 0.6701 0.3083 0.3198 0.092 Uiso 1 1 calc R . .
C4 C 0.5876(8) 0.2959(9) 0.2505(8) 0.074(5) Uani 1 1 d U . .
H4A H 0.5864 0.2512 0.2527 0.089 Uiso 1 1 calc R . .
C5 C 0.5404(8) 0.3267(7) 0.2092(7) 0.060(4) Uani 1 1 d U . .
H5A H 0.5056 0.3037 0.1835 0.072 Uiso 1 1 calc R . .
C6 C 0.5437(7) 0.3945(7) 0.2047(6) 0.048(3) Uani 1 1 d U . .
C7 C 0.5925(6) 0.4284(7) 0.2425(6) 0.046(3) Uani 1 1 d U . .
C8 C 0.4963(6) 0.4239(7) 0.1523(6) 0.047(3) Uani 1 1 d U . .
H8A H 0.4740 0.3965 0.1219 0.056 Uiso 1 1 calc R . .
C9 C 0.4480(6) 0.5069(7) 0.0879(6) 0.043(3) Uani 1 1 d U . .
C10 C 0.3837(7) 0.4808(7) 0.0563(6) 0.050(3) Uani 1 1 d U . .
H10A H 0.3610 0.4476 0.0730 0.060 Uiso 1 1 calc R . .
C11 C 0.3546(7) 0.5055(7) -0.0005(6) 0.052(3) Uani 1 1 d U . .
H11A H 0.3117 0.4889 -0.0211 0.062 Uiso 1 1 calc R . .
C12 C 0.3860(7) 0.5518(8) -0.0258(7) 0.055(4) Uani 1 1 d U . .
C13 C 0.4479(6) 0.5810(7) 0.0068(6) 0.049(3) Uani 1 1 d U . .
H13A H 0.4682 0.6160 -0.0095 0.058 Uiso 1 1 calc R . .
C14 C 0.4778(7) 0.5580(7) 0.0619(6) 0.052(3) Uani 1 1 d U . .
H14A H 0.5192 0.5770 0.0828 0.063 Uiso 1 1 calc R . .
C15 C 0.3593(7) 0.5754(8) -0.0892(7) 0.062(4) Uani 1 1 d U . .
H15B H 0.3677 0.5417 -0.1169 0.075 Uiso 1 1 calc R . .
H15A H 0.3876 0.6123 -0.0962 0.075 Uiso 1 1 calc R . .
C16 C 0.2810(7) 0.5945(7) -0.1050(6) 0.050(3) Uani 1 1 d U . .
C17 C 0.2509(7) 0.6342(7) -0.0699(7) 0.054(4) Uani 1 1 d U . .
H17A H 0.2777 0.6474 -0.0332 0.065 Uiso 1 1 calc R . .
C18 C 0.1817(6) 0.6563(7) -0.0859(6) 0.048(3) Uani 1 1 d U . .
H18A H 0.1625 0.6837 -0.0605 0.057 Uiso 1 1 calc R . .
C19 C 0.1415(6) 0.6368(6) -0.1410(6) 0.045(3) Uani 1 1 d U . .
C20 C 0.1726(7) 0.5959(8) -0.1764(7) 0.058(4) Uani 1 1 d U . .
H20A H 0.1465 0.5833 -0.2135 0.069 Uiso 1 1 calc R . .
C21 C 0.2410(7) 0.5729(7) -0.1589(7) 0.056(4) Uani 1 1 d U . .
H21A H 0.2598 0.5436 -0.1829 0.067 Uiso 1 1 calc R . .
C22 C 0.0542(6) 0.7168(7) -0.1512(6) 0.047(3) Uani 1 1 d U . .
H22A H 0.0916 0.7425 -0.1322 0.056 Uiso 1 1 calc R . .
C23 C -0.0149(7) 0.7469(7) -0.1658(7) 0.054(4) Uani 1 1 d U . .
C24 C -0.0186(9) 0.8114(8) -0.1432(7) 0.067(4) Uani 1 1 d U . .
H24A H 0.0213 0.8309 -0.1203 0.080 Uiso 1 1 calc R . .
C25 C -0.0809(9) 0.8428(9) -0.1558(8) 0.076(5) Uani 1 1 d U . .
H25A H -0.0848 0.8827 -0.1379 0.091 Uiso 1 1 calc R . .
C26 C -0.1383(8) 0.8188(7) -0.1936(7) 0.060(4) Uani 1 1 d U . .
H26A H -0.1798 0.8430 -0.2031 0.072 Uiso 1 1 calc R . .
C27 C -0.1349(7) 0.7603(7) -0.2170(6) 0.048(3) Uani 1 1 d U . .
C28 C -0.0744(6) 0.7217(6) -0.2037(6) 0.043(3) Uani 1 1 d U . .
C29 C -0.2503(8) 0.7669(8) -0.2769(8) 0.070(4) Uani 1 1 d U . .
H29A H -0.2758 0.7730 -0.2446 0.104 Uiso 1 1 calc R . .
H29B H -0.2801 0.7450 -0.3097 0.104 Uiso 1 1 calc R . .
H29C H -0.2366 0.8081 -0.2905 0.104 Uiso 1 1 calc R . .
C30 C 0.7560(9) 0.7108(9) 0.3267(8) 0.081(5) Uani 1 1 d U . .
H30A H 0.7836 0.7275 0.2987 0.122 Uiso 1 1 calc R . .
H30B H 0.7855 0.6838 0.3557 0.122 Uiso 1 1 calc R . .
H30C H 0.7380 0.7459 0.3471 0.122 Uiso 1 1 calc R . .
C31 C 0.6473(7) 0.7069(6) 0.2541(6) 0.046(3) Uani 1 1 d U . .
C32 C 0.6566(8) 0.7677(8) 0.2330(8) 0.065(4) Uani 1 1 d U . .
H32A H 0.6993 0.7894 0.2460 0.078 Uiso 1 1 calc R . .
C33 C 0.6024(8) 0.7971(8) 0.1924(8) 0.071(4) Uani 1 1 d U . .
H33A H 0.6099 0.8377 0.1771 0.085 Uiso 1 1 calc R . .
C34 C 0.5399(7) 0.7680(7) 0.1750(7) 0.061(4) Uani 1 1 d U . .
H34A H 0.5034 0.7890 0.1491 0.074 Uiso 1 1 calc R . .
C35 C 0.5290(6) 0.7050(6) 0.1958(6) 0.045(3) Uani 1 1 d U . .
C36 C 0.5832(6) 0.6737(7) 0.2337(6) 0.041(3) Uani 1 1 d U . .
C37 C 0.4579(7) 0.6792(6) 0.1781(6) 0.045(3) Uani 1 1 d U . .
H37A H 0.4230 0.7082 0.1605 0.054 Uiso 1 1 calc R . .
C38 C 0.3647(6) 0.6037(6) 0.1617(5) 0.037(3) Uani 1 1 d U . .
C39 C 0.3248(6) 0.6311(6) 0.1091(6) 0.044(3) Uani 1 1 d U . .
H39A H 0.3461 0.6606 0.0870 0.053 Uiso 1 1 calc R . .
C40 C 0.2568(7) 0.6153(7) 0.0904(7) 0.052(3) Uani 1 1 d U . .
H40A H 0.2313 0.6349 0.0559 0.063 Uiso 1 1 calc R . .
C41 C 0.2227(6) 0.5700(7) 0.1212(6) 0.046(3) Uani 1 1 d U . .
C42 C 0.2631(7) 0.5428(7) 0.1728(6) 0.050(3) Uani 1 1 d U . .
H42A H 0.2421 0.5125 0.1943 0.061 Uiso 1 1 calc R . .
C43 C 0.3314(6) 0.5590(7) 0.1925(6) 0.049(3) Uani 1 1 d U . .
H43A H 0.3567 0.5398 0.2272 0.059 Uiso 1 1 calc R . .
C44 C 0.1460(7) 0.5534(8) 0.1031(7) 0.059(4) Uani 1 1 d U . .
H44A H 0.1185 0.5868 0.1183 0.070 Uiso 1 1 calc R . .
H44B H 0.1376 0.5135 0.1231 0.070 Uiso 1 1 calc R . .
C45 C 0.1172(6) 0.5455(7) 0.0366(6) 0.047(3) Uani 1 1 d U . .
C46 C 0.0565(6) 0.5807(7) 0.0091(6) 0.047(3) Uani 1 1 d U . .
H46A H 0.0374 0.6114 0.0316 0.057 Uiso 1 1 calc R . .
C47 C 0.0250(7) 0.5708(7) -0.0503(7) 0.054(4) Uani 1 1 d U . .
H47A H -0.0159 0.5934 -0.0672 0.065 Uiso 1 1 calc R . .
C48 C 0.0547(7) 0.5269(7) -0.0843(6) 0.049(3) Uani 1 1 d U . .
C49 C 0.1163(6) 0.4936(7) -0.0585(6) 0.049(3) Uani 1 1 d U . .
H49A H 0.1370 0.4647 -0.0816 0.059 Uiso 1 1 calc R . .
C50 C 0.1461(7) 0.5036(7) 0.0007(7) 0.055(4) Uani 1 1 d U . .
H50A H 0.1873 0.4813 0.0172 0.065 Uiso 1 1 calc R . .
C51 C 0.0051(6) 0.4577(7) -0.1636(6) 0.046(3) Uani 1 1 d U . .
H51A H 0.0294 0.4251 -0.1399 0.056 Uiso 1 1 calc R . .
C52 C -0.0433(6) 0.4377(7) -0.2181(6) 0.046(3) Uani 1 1 d U . .
C53 C -0.0432(7) 0.3725(7) -0.2347(7) 0.054(4) Uani 1 1 d U . .
H53A H -0.0093 0.3451 -0.2130 0.065 Uiso 1 1 calc R . .
C54 C -0.0900(8) 0.3485(8) -0.2805(7) 0.065(4) Uani 1 1 d U . .
H54A H -0.0883 0.3054 -0.2913 0.078 Uiso 1 1 calc R . .
C55 C -0.1442(8) 0.3919(7) -0.3133(7) 0.061(4) Uani 1 1 d U . .
H55A H -0.1774 0.3766 -0.3457 0.073 Uiso 1 1 calc R . .
C56 C -0.1458(7) 0.4543(6) -0.2965(6) 0.043(3) Uani 1 1 d U . .
C57 C -0.0937(6) 0.4783(7) -0.2483(6) 0.043(3) Uani 1 1 d U . .
C58 C -0.2561(9) 0.4748(9) -0.3638(9) 0.084(5) Uani 1 1 d U . .
H58A H -0.2418 0.4473 -0.3936 0.126 Uiso 1 1 calc R . .
H58B H -0.2830 0.5105 -0.3833 0.126 Uiso 1 1 calc R . .
H58C H -0.2850 0.4507 -0.3412 0.126 Uiso 1 1 calc R . .
C59 C 0.6430(13) 0.5843(13) 0.4987(12) 0.130(9) Uani 1 1 d U . .
H59A H 0.6801 0.6019 0.5288 0.195 Uiso 1 1 calc R . .
H59B H 0.6320 0.5414 0.5100 0.195 Uiso 1 1 calc R . .
H59C H 0.6013 0.6108 0.4952 0.195 Uiso 1 1 calc R . .
C60 C 0.6672(9) 0.5825(11) 0.4387(9) 0.079(5) Uani 1 1 d U . .
C61 C 0.8680(9) 0.5786(10) 0.2632(9) 0.092(6) Uani 1 1 d U . .
H61A H 0.8944 0.5392 0.2636 0.138 Uiso 1 1 d R . .
H61B H 0.8938 0.6081 0.2923 0.138 Uiso 1 1 d R . .
H61C H 0.8612 0.5974 0.2233 0.138 Uiso 1 1 d R . .
C62 C 0.7988(9) 0.5634(9) 0.2802(9) 0.070(4) Uani 1 1 d U . .
C63 C 0.4614(9) 0.4688(9) 0.3824(8) 0.081(5) Uani 1 1 d U . .
H63A H 0.4131 0.4598 0.3636 0.122 Uiso 1 1 calc R . .
H63B H 0.4618 0.4976 0.4158 0.122 Uiso 1 1 calc R . .
H63C H 0.4849 0.4293 0.3967 0.122 Uiso 1 1 calc R . .
C64 C 0.4999(7) 0.4999(7) 0.3371(7) 0.055(4) Uani 1 1 d U . .
C65 C 0.0293(11) 0.5412(11) -0.3784(10) 0.108(7) Uani 1 1 d U . .
H65A H -0.0044 0.5433 -0.4157 0.162 Uiso 1 1 calc R . .
H65B H 0.0441 0.4973 -0.3704 0.162 Uiso 1 1 calc R . .
H65C H 0.0699 0.5674 -0.3812 0.162 Uiso 1 1 calc R . .
C66 C -0.0035(7) 0.5647(7) -0.3299(7) 0.055(4) Uani 1 1 d U . .
C67 C -0.1918(14) 0.6956(13) -0.4789(11) 0.131(9) Uani 1 1 d U . .
H67A H -0.2333 0.7223 -0.4885 0.197 Uiso 1 1 calc R . .
H67B H -0.1952 0.6609 -0.5074 0.197 Uiso 1 1 calc R . .
H67C H -0.1502 0.7208 -0.4806 0.197 Uiso 1 1 calc R . .
C68 C -0.1868(9) 0.6687(9) -0.4169(8) 0.076(5) Uani 1 1 d U . .
C69 C -0.3663(9) 0.6283(10) -0.2382(9) 0.091(6) Uani 1 1 d U . .
H69A H -0.3986 0.5930 -0.2490 0.136 Uiso 1 1 calc R . .
H69B H -0.3878 0.6674 -0.2557 0.136 Uiso 1 1 calc R . .
H69C H -0.3557 0.6326 -0.1950 0.136 Uiso 1 1 calc R . .
C70 C -0.2969(8) 0.6154(8) -0.2618(9) 0.069(4) Uani 1 1 d U . .
O21 O 0.760(2) 0.6469(19) 0.9000(18) 0.318(18) Uani 1 1 d DU . .
H21B H 0.7433 0.6607 0.8663 0.477 Uiso 1 1 calc R . .
C71 C 0.832(2) 0.671(3) 0.918(2) 0.32(3) Uani 1 1 d DU . .
H71A H 0.8315 0.7170 0.9198 0.486 Uiso 1 1 calc R . .
H71B H 0.8605 0.6570 0.8898 0.486 Uiso 1 1 calc R . .
H71C H 0.8522 0.6541 0.9575 0.486 Uiso 1 1 calc R . .
O22 O 1.329(3) 0.345(3) 0.900(2) 0.46(3) Uani 1 1 d DU . .
H22B H 1.3304 0.3054 0.9019 0.688 Uiso 1 1 calc R . .
C72 C 1.257(3) 0.364(3) 0.872(3) 0.34(3) Uani 1 1 d DU . .
H72A H 1.2278 0.3652 0.9023 0.516 Uiso 1 1 calc R . .
H72B H 1.2379 0.3345 0.8410 0.516 Uiso 1 1 calc R . .
H72C H 1.2586 0.4068 0.8551 0.516 Uiso 1 1 calc R . .
O23 O 1.073(3) 0.760(3) 1.091(3) 0.53(4) Uani 1 1 d DU . .
H23A H 1.0821 0.7980 1.0843 0.793 Uiso 1 1 calc R . .
C73 C 0.999(3) 0.754(4) 1.094(4) 0.51(6) Uani 1 1 d DU . .
H73A H 0.9921 0.7609 1.1345 0.761 Uiso 1 1 calc R . .
H73B H 0.9828 0.7108 1.0816 0.761 Uiso 1 1 calc R . .
H73C H 0.9713 0.7845 1.0675 0.761 Uiso 1 1 calc R . .
O1W O 0.8410(18) 0.5055(18) 0.5082(17) 0.286(15) Uani 1 1 d U . .
O2W O 1.487(3) 0.810(3) 0.948(3) 0.55(4) Uani 1 1 d U . .
O3W O -0.348(4) 0.387(3) -0.494(3) 0.58(4) Uani 1 1 d 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
Nd1 O6 2.379(9) . ?
Nd1 O2 2.387(9) . ?
Nd1 O13 2.395(10) . ?
Nd1 O10 2.436(12) . ?
Nd1 O11 2.444(11) . ?
Nd1 O9 2.452(13) . ?
Nd1 O12 2.461(11) . ?
Nd1 O1 2.560(11) . ?
Nd1 O5 2.605(11) . ?
Nd1 C60 2.74(2) . ?
Nd1 C62 2.829(16) . ?
Nd1 Zn1 3.4597(16) . ?
Nd2 O3 2.384(8) . ?
Nd2 O7 2.395(8) . ?
Nd2 O16 2.409(10) . ?
Nd2 O19 2.434(11) . ?
Nd2 O20 2.441(12) . ?
Nd2 O17 2.458(12) . ?
Nd2 O18 2.460(11) . ?
Nd2 O8 2.553(10) . ?
Nd2 O4 2.632(9) . ?
Nd2 C68 2.781(18) . ?
Nd2 C70 2.807(16) . ?
Nd2 Zn2 3.4596(16) . ?
Zn1 O14 1.986(9) . ?
Zn1 O6 2.013(9) . ?
Zn1 N3 2.079(10) . ?
Zn1 N1 2.090(11) . ?
Zn1 O2 2.094(8) . ?
Zn2 O15 1.991(10) . ?
Zn2 O3 1.997(9) . ?
Zn2 N4 2.077(11) . ?
Zn2 N2 2.084(10) . ?
Zn2 O7 2.099(8) . ?
N1 C8 1.281(17) . ?
N1 C9 1.440(16) . ?
N2 C22 1.290(16) . ?
N2 C19 1.444(15) . ?
N3 C37 1.296(16) . ?
N3 C38 1.427(14) . ?
N4 C51 1.296(16) . ?
N4 C48 1.429(17) . ?
O1 C2 1.389(19) . ?
O1 C1 1.44(2) . ?
O2 C7 1.325(16) . ?
O3 C28 1.323(15) . ?
O4 C29 1.385(16) . ?
O4 C27 1.393(16) . ?
O5 C31 1.375(16) . ?
O5 C30 1.451(17) . ?
O6 C36 1.311(15) . ?
O7 C57 1.341(16) . ?
O8 C56 1.368(15) . ?
O8 C58 1.424(18) . ?
O9 C60 1.26(2) . ?
O10 C60 1.25(2) . ?
O11 C62 1.30(2) . ?
O12 C62 1.227(19) . ?
O13 C64 1.255(16) . ?
O14 C64 1.247(17) . ?
O15 C66 1.254(17) . ?
O16 C66 1.239(16) . ?
O17 C70 1.252(19) . ?
O18 C70 1.26(2) . ?
O19 C68 1.25(2) . ?
O20 C68 1.23(2) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C3 1.35(2) . ?
C2 C7 1.39(2) . ?
C3 C4 1.38(2) . ?
C3 H3A 0.9300 . ?
C4 C5 1.33(2) . ?
C4 H4A 0.9300 . ?
C5 C6 1.41(2) . ?
C5 H5A 0.9300 . ?
C6 C7 1.339(19) . ?
C6 C8 1.479(19) . ?
C8 H8A 0.9300 . ?
C9 C14 1.385(19) . ?
C9 C10 1.411(18) . ?
C10 C11 1.394(19) . ?
C10 H10A 0.9300 . ?
C11 C12 1.32(2) . ?
C11 H11A 0.9300 . ?
C12 C13 1.409(19) . ?
C12 C15 1.51(2) . ?
C13 C14 1.355(19) . ?
C13 H13A 0.9300 . ?
C14 H14A 0.9300 . ?
C15 C16 1.526(18) . ?
C15 H15B 0.9700 . ?
C15 H15A 0.9700 . ?
C16 C17 1.346(19) . ?
C16 C21 1.39(2) . ?
C17 C18 1.382(18) . ?
C17 H17A 0.9300 . ?
C18 C19 1.393(18) . ?
C18 H18A 0.9300 . ?
C19 C20 1.37(2) . ?
C20 C21 1.379(18) . ?
C20 H20A 0.9300 . ?
C21 H21A 0.9300 . ?
C22 C23 1.444(18) . ?
C22 H22A 0.9300 . ?
C23 C28 1.390(19) . ?
C23 C24 1.44(2) . ?
C24 C25 1.34(2) . ?
C24 H24A 0.9300 . ?
C25 C26 1.35(2) . ?
C25 H25A 0.9300 . ?
C26 C27 1.33(2) . ?
C26 H26A 0.9300 . ?
C27 C28 1.394(18) . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 C32 1.37(2) . ?
C31 C36 1.406(17) . ?
C32 C33 1.39(2) . ?
C32 H32A 0.9300 . ?
C33 C34 1.33(2) . ?
C33 H33A 0.9300 . ?
C34 C35 1.42(2) . ?
C34 H34A 0.9300 . ?
C35 C36 1.376(18) . ?
C35 C37 1.447(17) . ?
C37 H37A 0.9300 . ?
C38 C43 1.384(18) . ?
C38 C39 1.405(17) . ?
C39 C40 1.331(17) . ?
C39 H39A 0.9300 . ?
C40 C41 1.402(19) . ?
C40 H40A 0.9300 . ?
C41 C42 1.391(19) . ?
C41 C44 1.489(17) . ?
C42 C43 1.342(17) . ?
C42 H42A 0.9300 . ?
C43 H43A 0.9300 . ?
C44 C45 1.507(19) . ?
C44 H44A 0.9700 . ?
C44 H44B 0.9700 . ?
C45 C50 1.37(2) . ?
C45 C46 1.412(18) . ?
C46 C47 1.378(19) . ?
C46 H46A 0.9300 . ?
C47 C48 1.38(2) . ?
C47 H47A 0.9300 . ?
C48 C49 1.395(18) . ?
C49 C50 1.366(19) . ?
C49 H49A 0.9300 . ?
C50 H50A 0.9300 . ?
C51 C52 1.453(18) . ?
C51 H51A 0.9300 . ?
C52 C57 1.363(18) . ?
C52 C53 1.404(19) . ?
C53 C54 1.33(2) . ?
C53 H53A 0.9300 . ?
C54 C55 1.47(2) . ?
C54 H54A 0.9300 . ?
C55 C56 1.351(19) . ?
C55 H55A 0.9300 . ?
C56 C57 1.420(17) . ?
C58 H58A 0.9600 . ?
C58 H58B 0.9600 . ?
C58 H58C 0.9600 . ?
C59 C60 1.51(3) . ?
C59 H59A 0.9600 . ?
C59 H59B 0.9600 . ?
C59 H59C 0.9600 . ?
C61 C62 1.48(2) . ?
C61 H61A 0.9607 . ?
C61 H61B 0.9640 . ?
C61 H61C 0.9669 . ?
C63 C64 1.51(2) . ?
C63 H63A 0.9600 . ?
C63 H63B 0.9600 . ?
C63 H63C 0.9600 . ?
C65 C66 1.44(2) . ?
C65 H65A 0.9600 . ?
C65 H65B 0.9600 . ?
C65 H65C 0.9600 . ?
C67 C68 1.49(3) . ?
C67 H67A 0.9600 . ?
C67 H67B 0.9600 . ?
C67 H67C 0.9600 . ?
C69 C70 1.55(2) . ?
C69 H69A 0.9600 . ?
C69 H69B 0.9600 . ?
C69 H69C 0.9600 . ?
O21 C71 1.448(10) . ?
O21 H21B 0.8200 . ?
C71 H71A 0.9600 . ?
C71 H71B 0.9600 . ?
C71 H71C 0.9600 . ?
O22 C72 1.448(10) . ?
O22 H22B 0.8200 . ?
C72 H72A 0.9600 . ?
C72 H72B 0.9600 . ?
C72 H72C 0.9600 . ?
O23 C73 1.455(10) . ?
O23 H23A 0.8200 . ?
C73 H73A 0.9600 . ?
C73 H73B 0.9600 . ?
C73 H73C 0.9600 . ?

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
O6 Nd1 O2 66.1(3) . . ?
O6 Nd1 O13 80.6(3) . . ?
O2 Nd1 O13 72.0(3) . . ?
O6 Nd1 O10 89.6(4) . . ?
O2 Nd1 O10 141.6(3) . . ?
O13 Nd1 O10 75.1(4) . . ?
O6 Nd1 O11 131.3(4) . . ?
O2 Nd1 O11 122.5(4) . . ?
O13 Nd1 O11 147.5(4) . . ?
O10 Nd1 O11 95.9(4) . . ?
O6 Nd1 O9 138.1(4) . . ?
O2 Nd1 O9 129.4(4) . . ?
O13 Nd1 O9 71.8(4) . . ?
O10 Nd1 O9 53.6(4) . . ?
O11 Nd1 O9 77.7(4) . . ?
O6 Nd1 O12 90.1(4) . . ?
O2 Nd1 O12 77.9(4) . . ?
O13 Nd1 O12 149.7(4) . . ?
O10 Nd1 O12 134.0(4) . . ?
O11 Nd1 O12 52.8(4) . . ?
O9 Nd1 O12 128.9(4) . . ?
O6 Nd1 O1 128.4(3) . . ?
O2 Nd1 O1 62.4(3) . . ?
O13 Nd1 O1 80.0(4) . . ?
O10 Nd1 O1 129.8(4) . . ?
O11 Nd1 O1 82.6(4) . . ?
O9 Nd1 O1 77.5(4) . . ?
O12 Nd1 O1 83.6(4) . . ?
O6 Nd1 O5 62.0(3) . . ?
O2 Nd1 O5 117.6(3) . . ?
O13 Nd1 O5 127.3(3) . . ?
O10 Nd1 O5 69.3(4) . . ?
O11 Nd1 O5 74.9(4) . . ?
O9 Nd1 O5 112.3(4) . . ?
O12 Nd1 O5 70.1(4) . . ?
O1 Nd1 O5 152.4(3) . . ?
O6 Nd1 C60 112.1(5) . . ?
O2 Nd1 C60 137.9(5) . . ?
O13 Nd1 C60 66.5(4) . . ?
O10 Nd1 C60 27.0(5) . . ?
O11 Nd1 C60 91.2(5) . . ?
O9 Nd1 C60 27.4(5) . . ?
O12 Nd1 C60 142.7(5) . . ?
O1 Nd1 C60 102.8(5) . . ?
O5 Nd1 C60 93.6(5) . . ?
O6 Nd1 C62 109.7(4) . . ?
O2 Nd1 C62 100.9(4) . . ?
O13 Nd1 C62 164.5(4) . . ?
O10 Nd1 C62 115.6(5) . . ?
O11 Nd1 C62 27.3(4) . . ?
O9 Nd1 C62 104.7(5) . . ?
O12 Nd1 C62 25.6(4) . . ?
O1 Nd1 C62 84.4(4) . . ?
O5 Nd1 C62 68.2(4) . . ?
C60 Nd1 C62 117.5(5) . . ?
O6 Nd1 Zn1 34.4(2) . . ?
O2 Nd1 Zn1 36.5(2) . . ?
O13 Nd1 Zn1 60.3(2) . . ?
O10 Nd1 Zn1 108.5(3) . . ?
O11 Nd1 Zn1 149.2(3) . . ?
O9 Nd1 Zn1 132.1(3) . . ?
O12 Nd1 Zn1 96.4(3) . . ?
O1 Nd1 Zn1 95.4(2) . . ?
O5 Nd1 Zn1 95.9(2) . . ?
C60 Nd1 Zn1 119.1(4) . . ?
C62 Nd1 Zn1 121.9(4) . . ?
O3 Nd2 O7 65.7(3) . . ?
O3 Nd2 O16 81.0(3) . . ?
O7 Nd2 O16 72.9(3) . . ?
O3 Nd2 O19 92.7(3) . . ?
O7 Nd2 O19 145.1(3) . . ?
O16 Nd2 O19 77.0(4) . . ?
O3 Nd2 O20 140.4(3) . . ?
O7 Nd2 O20 130.6(4) . . ?
O16 Nd2 O20 73.3(4) . . ?
O19 Nd2 O20 52.7(4) . . ?
O3 Nd2 O17 89.7(4) . . ?
O7 Nd2 O17 77.9(3) . . ?
O16 Nd2 O17 150.7(4) . . ?
O19 Nd2 O17 131.4(4) . . ?
O20 Nd2 O17 126.6(4) . . ?
O3 Nd2 O18 132.8(4) . . ?
O7 Nd2 O18 121.7(4) . . ?
O16 Nd2 O18 145.7(4) . . ?
O19 Nd2 O18 93.2(4) . . ?
O20 Nd2 O18 74.6(4) . . ?
O17 Nd2 O18 53.1(4) . . ?
O3 Nd2 O8 129.0(3) . . ?
O7 Nd2 O8 63.7(3) . . ?
O16 Nd2 O8 79.8(3) . . ?
O19 Nd2 O8 127.5(3) . . ?
O20 Nd2 O8 75.7(4) . . ?
O17 Nd2 O8 84.9(4) . . ?
O18 Nd2 O8 80.6(3) . . ?
O3 Nd2 O4 61.8(3) . . ?
O7 Nd2 O4 117.2(3) . . ?
O16 Nd2 O4 126.7(3) . . ?
O19 Nd2 O4 68.7(3) . . ?
O20 Nd2 O4 111.8(4) . . ?
O17 Nd2 O4 70.1(3) . . ?
O18 Nd2 O4 77.2(4) . . ?
O8 Nd2 O4 153.4(3) . . ?
O3 Nd2 C68 117.2(5) . . ?
O7 Nd2 C68 144.9(4) . . ?
O16 Nd2 C68 73.2(4) . . ?
O19 Nd2 C68 26.6(4) . . ?
O20 Nd2 C68 26.2(4) . . ?
O17 Nd2 C68 134.8(5) . . ?
O18 Nd2 C68 83.4(5) . . ?
O8 Nd2 C68 101.4(5) . . ?
O4 Nd2 C68 90.6(5) . . ?
O3 Nd2 C70 111.2(4) . . ?
O7 Nd2 C70 100.9(4) . . ?
O16 Nd2 C70 163.1(5) . . ?
O19 Nd2 C70 112.7(5) . . ?
O20 Nd2 C70 101.1(5) . . ?
O17 Nd2 C70 26.5(4) . . ?
O18 Nd2 C70 26.7(4) . . ?
O8 Nd2 C70 83.4(4) . . ?
O4 Nd2 C70 70.2(4) . . ?
C68 Nd2 C70 109.0(5) . . ?
O3 Nd2 Zn2 34.1(2) . . ?
O7 Nd2 Zn2 36.6(2) . . ?
O16 Nd2 Zn2 60.9(2) . . ?
O19 Nd2 Zn2 111.7(2) . . ?
O20 Nd2 Zn2 134.2(3) . . ?
O17 Nd2 Zn2 96.6(3) . . ?
O18 Nd2 Zn2 149.6(3) . . ?
O8 Nd2 Zn2 96.36(19) . . ?
O4 Nd2 Zn2 95.4(2) . . ?
C68 Nd2 Zn2 126.5(4) . . ?
C70 Nd2 Zn2 123.0(4) . . ?
O14 Zn1 O6 109.8(4) . . ?
O14 Zn1 N3 105.1(4) . . ?
O6 Zn1 N3 89.3(4) . . ?
O14 Zn1 N1 106.7(4) . . ?
O6 Zn1 N1 139.7(4) . . ?
N3 Zn1 N1 97.1(4) . . ?
O14 Zn1 O2 92.9(4) . . ?
O6 Zn1 O2 78.5(4) . . ?
N3 Zn1 O2 161.0(4) . . ?
N1 Zn1 O2 83.3(4) . . ?
O14 Zn1 Nd1 87.9(3) . . ?
O6 Zn1 Nd1 41.9(3) . . ?
N3 Zn1 Nd1 130.3(3) . . ?
N1 Zn1 Nd1 125.2(3) . . ?
O2 Zn1 Nd1 42.6(3) . . ?
O15 Zn2 O3 111.1(4) . . ?
O15 Zn2 N4 104.4(4) . . ?
O3 Zn2 N4 140.1(4) . . ?
O15 Zn2 N2 105.6(4) . . ?
O3 Zn2 N2 89.6(4) . . ?
N4 Zn2 N2 98.1(4) . . ?
O15 Zn2 O7 91.7(4) . . ?
O3 Zn2 O7 78.4(3) . . ?
N4 Zn2 O7 83.0(4) . . ?
N2 Zn2 O7 161.7(4) . . ?
O15 Zn2 Nd2 87.6(3) . . ?
O3 Zn2 Nd2 42.0(2) . . ?
N4 Zn2 Nd2 125.3(3) . . ?
N2 Zn2 Nd2 130.2(3) . . ?
O7 Zn2 Nd2 42.9(2) . . ?
C8 N1 C9 117.7(11) . . ?
C8 N1 Zn1 121.3(9) . . ?
C9 N1 Zn1 120.9(8) . . ?
C22 N2 C19 117.4(11) . . ?
C22 N2 Zn2 123.8(8) . . ?
C19 N2 Zn2 118.8(8) . . ?
C37 N3 C38 119.3(10) . . ?
C37 N3 Zn1 122.6(8) . . ?
C38 N3 Zn1 118.0(8) . . ?
C51 N4 C48 119.1(11) . . ?
C51 N4 Zn2 119.1(9) . . ?
C48 N4 Zn2 121.4(8) . . ?
C2 O1 C1 119.6(14) . . ?
C2 O1 Nd1 118.0(8) . . ?
C1 O1 Nd1 122.3(12) . . ?
C7 O2 Zn1 117.8(7) . . ?
C7 O2 Nd1 124.9(8) . . ?
Zn1 O2 Nd1 100.9(4) . . ?
C28 O3 Zn2 129.0(8) . . ?
C28 O3 Nd2 126.9(8) . . ?
Zn2 O3 Nd2 104.0(4) . . ?
C29 O4 C27 116.8(11) . . ?
C29 O4 Nd2 123.7(9) . . ?
C27 O4 Nd2 118.7(7) . . ?
C31 O5 C30 115.9(12) . . ?
C31 O5 Nd1 118.1(7) . . ?
C30 O5 Nd1 125.1(10) . . ?
C36 O6 Zn1 126.7(8) . . ?
C36 O6 Nd1 128.3(7) . . ?
Zn1 O6 Nd1 103.6(4) . . ?
C57 O7 Zn2 116.8(7) . . ?
C57 O7 Nd2 122.8(7) . . ?
Zn2 O7 Nd2 100.5(3) . . ?
C56 O8 C58 118.2(12) . . ?
C56 O8 Nd2 116.7(7) . . ?
C58 O8 Nd2 125.1(9) . . ?
C60 O9 Nd1 89.2(11) . . ?
C60 O10 Nd1 90.3(12) . . ?
C62 O11 Nd1 93.1(9) . . ?
C62 O12 Nd1 94.2(11) . . ?
C64 O13 Nd1 144.5(10) . . ?
C64 O14 Zn1 122.6(9) . . ?
C66 O15 Zn2 122.0(9) . . ?
C66 O16 Nd2 142.3(10) . . ?
C70 O17 Nd2 92.5(10) . . ?
C70 O18 Nd2 92.1(10) . . ?
C68 O19 Nd2 92.4(10) . . ?
C68 O20 Nd2 92.6(11) . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C3 C2 O1 124.2(15) . . ?
C3 C2 C7 121.8(16) . . ?
O1 C2 C7 114.0(14) . . ?
C2 C3 C4 119.1(17) . . ?
C2 C3 H3A 120.5 . . ?
C4 C3 H3A 120.5 . . ?
C5 C4 C3 120.7(17) . . ?
C5 C4 H4A 119.7 . . ?
C3 C4 H4A 119.7 . . ?
C4 C5 C6 119.6(15) . . ?
C4 C5 H5A 120.2 . . ?
C6 C5 H5A 120.2 . . ?
C7 C6 C5 120.8(13) . . ?
C7 C6 C8 122.9(13) . . ?
C5 C6 C8 116.0(13) . . ?
O2 C7 C6 124.6(12) . . ?
O2 C7 C2 117.3(13) . . ?
C6 C7 C2 118.0(14) . . ?
N1 C8 C6 124.3(13) . . ?
N1 C8 H8A 117.8 . . ?
C6 C8 H8A 117.8 . . ?
C14 C9 C10 117.9(13) . . ?
C14 C9 N1 118.1(11) . . ?
C10 C9 N1 124.0(12) . . ?
C11 C10 C9 119.0(13) . . ?
C11 C10 H10A 120.5 . . ?
C9 C10 H10A 120.5 . . ?
C12 C11 C10 122.0(13) . . ?
C12 C11 H11A 119.0 . . ?
C10 C11 H11A 119.0 . . ?
C11 C12 C13 119.6(14) . . ?
C11 C12 C15 123.1(13) . . ?
C13 C12 C15 117.3(14) . . ?
C14 C13 C12 119.7(14) . . ?
C14 C13 H13A 120.1 . . ?
C12 C13 H13A 120.1 . . ?
C13 C14 C9 121.5(13) . . ?
C13 C14 H14A 119.2 . . ?
C9 C14 H14A 119.2 . . ?
C12 C15 C16 116.7(12) . . ?
C12 C15 H15B 108.1 . . ?
C16 C15 H15B 108.1 . . ?
C12 C15 H15A 108.1 . . ?
C16 C15 H15A 108.1 . . ?
H15B C15 H15A 107.3 . . ?
C17 C16 C21 119.2(13) . . ?
C17 C16 C15 122.2(14) . . ?
C21 C16 C15 118.5(13) . . ?
C16 C17 C18 123.0(14) . . ?
C16 C17 H17A 118.5 . . ?
C18 C17 H17A 118.5 . . ?
C17 C18 C19 118.5(13) . . ?
C17 C18 H18A 120.7 . . ?
C19 C18 H18A 120.7 . . ?
C20 C19 C18 118.1(12) . . ?
C20 C19 N2 119.4(12) . . ?
C18 C19 N2 122.5(12) . . ?
C19 C20 C21 122.6(14) . . ?
C19 C20 H20A 118.7 . . ?
C21 C20 H20A 118.7 . . ?
C20 C21 C16 118.5(14) . . ?
C20 C21 H21A 120.7 . . ?
C16 C21 H21A 120.7 . . ?
N2 C22 C23 126.4(12) . . ?
N2 C22 H22A 116.8 . . ?
C23 C22 H22A 116.8 . . ?
C28 C23 C24 118.6(13) . . ?
C28 C23 C22 126.0(13) . . ?
C24 C23 C22 115.1(13) . . ?
C25 C24 C23 118.5(15) . . ?
C25 C24 H24A 120.8 . . ?
C23 C24 H24A 120.8 . . ?
C24 C25 C26 122.7(16) . . ?
C24 C25 H25A 118.7 . . ?
C26 C25 H25A 118.7 . . ?
C27 C26 C25 119.4(15) . . ?
C27 C26 H26A 120.3 . . ?
C25 C26 H26A 120.3 . . ?
C26 C27 O4 125.0(12) . . ?
C26 C27 C28 122.6(13) . . ?
O4 C27 C28 112.4(12) . . ?
O3 C28 C23 122.3(12) . . ?
O3 C28 C27 119.8(12) . . ?
C23 C28 C27 117.9(13) . . ?
O4 C29 H29A 109.5 . . ?
O4 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
O4 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
O5 C30 H30A 109.5 . . ?
O5 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
O5 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 O5 125.2(12) . . ?
C32 C31 C36 119.9(13) . . ?
O5 C31 C36 114.9(12) . . ?
C31 C32 C33 120.2(15) . . ?
C31 C32 H32A 119.9 . . ?
C33 C32 H32A 119.9 . . ?
C34 C33 C32 120.9(16) . . ?
C34 C33 H33A 119.6 . . ?
C32 C33 H33A 119.6 . . ?
C33 C34 C35 120.0(15) . . ?
C33 C34 H34A 120.0 . . ?
C35 C34 H34A 120.0 . . ?
C36 C35 C34 119.9(12) . . ?
C36 C35 C37 124.0(12) . . ?
C34 C35 C37 115.9(12) . . ?
O6 C36 C35 124.5(11) . . ?
O6 C36 C31 116.7(11) . . ?
C35 C36 C31 118.8(12) . . ?
N3 C37 C35 127.5(12) . . ?
N3 C37 H37A 116.3 . . ?
C35 C37 H37A 116.3 . . ?
C43 C38 C39 117.8(11) . . ?
C43 C38 N3 119.8(11) . . ?
C39 C38 N3 122.4(11) . . ?
C40 C39 C38 120.8(12) . . ?
C40 C39 H39A 119.6 . . ?
C38 C39 H39A 119.6 . . ?
C39 C40 C41 121.7(13) . . ?
C39 C40 H40A 119.1 . . ?
C41 C40 H40A 119.1 . . ?
C42 C41 C40 116.8(12) . . ?
C42 C41 C44 120.0(12) . . ?
C40 C41 C44 123.1(13) . . ?
C43 C42 C41 121.9(13) . . ?
C43 C42 H42A 119.0 . . ?
C41 C42 H42A 119.0 . . ?
C42 C43 C38 120.9(13) . . ?
C42 C43 H43A 119.6 . . ?
C38 C43 H43A 119.6 . . ?
C41 C44 C45 117.1(11) . . ?
C41 C44 H44A 108.0 . . ?
C45 C44 H44A 108.0 . . ?
C41 C44 H44B 108.0 . . ?
C45 C44 H44B 108.0 . . ?
H44A C44 H44B 107.3 . . ?
C50 C45 C46 117.2(13) . . ?
C50 C45 C44 122.9(13) . . ?
C46 C45 C44 119.8(13) . . ?
C47 C46 C45 121.5(13) . . ?
C47 C46 H46A 119.2 . . ?
C45 C46 H46A 119.2 . . ?
C46 C47 C48 119.3(13) . . ?
C46 C47 H47A 120.4 . . ?
C48 C47 H47A 120.4 . . ?
C47 C48 C49 119.9(13) . . ?
C47 C48 N4 116.8(12) . . ?
C49 C48 N4 123.3(13) . . ?
C50 C49 C48 119.9(13) . . ?
C50 C49 H49A 120.1 . . ?
C48 C49 H49A 120.1 . . ?
C49 C50 C45 122.1(13) . . ?
C49 C50 H50A 118.9 . . ?
C45 C50 H50A 118.9 . . ?
N4 C51 C52 126.5(12) . . ?
N4 C51 H51A 116.7 . . ?
C52 C51 H51A 116.7 . . ?
C57 C52 C53 119.9(13) . . ?
C57 C52 C51 121.7(13) . . ?
C53 C52 C51 117.9(12) . . ?
C54 C53 C52 122.3(14) . . ?
C54 C53 H53A 118.9 . . ?
C52 C53 H53A 118.9 . . ?
C53 C54 C55 118.2(14) . . ?
C53 C54 H54A 120.9 . . ?
C55 C54 H54A 120.9 . . ?
C56 C55 C54 119.9(13) . . ?
C56 C55 H55A 120.1 . . ?
C54 C55 H55A 120.1 . . ?
C55 C56 O8 124.0(12) . . ?
C55 C56 C57 120.1(13) . . ?
O8 C56 C57 115.9(11) . . ?
O7 C57 C52 123.9(12) . . ?
O7 C57 C56 116.3(11) . . ?
C52 C57 C56 119.7(13) . . ?
O8 C58 H58A 109.5 . . ?
O8 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
O8 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C60 C59 H59A 109.5 . . ?
C60 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C60 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
O10 C60 O9 123.0(19) . . ?
O10 C60 C59 121(2) . . ?
O9 C60 C59 116(2) . . ?
O10 C60 Nd1 62.7(10) . . ?
O9 C60 Nd1 63.4(10) . . ?
C59 C60 Nd1 159.7(15) . . ?
C62 C61 H61A 108.2 . . ?
C62 C61 H61B 109.2 . . ?
H61A C61 H61B 109.3 . . ?
C62 C61 H61C 110.9 . . ?
H61A C61 H61C 109.3 . . ?
H61B C61 H61C 109.9 . . ?
O12 C62 O11 119.2(15) . . ?
O12 C62 C61 123.5(17) . . ?
O11 C62 C61 117.3(16) . . ?
O12 C62 Nd1 60.2(9) . . ?
O11 C62 Nd1 59.6(8) . . ?
C61 C62 Nd1 170.7(13) . . ?
C64 C63 H63A 109.5 . . ?
C64 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C64 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
O14 C64 O13 123.8(13) . . ?
O14 C64 C63 117.0(13) . . ?
O13 C64 C63 119.2(14) . . ?
C66 C65 H65A 109.5 . . ?
C66 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
C66 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
O16 C66 O15 125.8(14) . . ?
O16 C66 C65 117.2(16) . . ?
O15 C66 C65 117.0(14) . . ?
C68 C67 H67A 109.5 . . ?
C68 C67 H67B 109.5 . . ?
H67A C67 H67B 109.5 . . ?
C68 C67 H67C 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
O20 C68 O19 122.3(17) . . ?
O20 C68 C67 119.5(19) . . ?
O19 C68 C67 118.1(18) . . ?
O20 C68 Nd2 61.3(9) . . ?
O19 C68 Nd2 61.0(9) . . ?
C67 C68 Nd2 175.6(15) . . ?
C70 C69 H69A 109.5 . . ?
C70 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
C70 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
O17 C70 O18 121.9(15) . . ?
O17 C70 C69 118.8(17) . . ?
O18 C70 C69 119.0(16) . . ?
O17 C70 Nd2 61.1(8) . . ?
O18 C70 Nd2 61.2(8) . . ?
C69 C70 Nd2 169.2(12) . . ?
C71 O21 H21B 109.5 . . ?
O21 C71 H71A 109.5 . . ?
O21 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
O21 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C72 O22 H22B 109.5 . . ?
O22 C72 H72A 109.5 . . ?
O22 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
O22 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C73 O23 H23A 109.5 . . ?
O23 C73 H73A 109.5 . . ?
O23 C73 H73B 109.5 . . ?
H73A C73 H73B 109.5 . . ?
O23 C73 H73C 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         1.428
_refine_diff_density_min         -1.840
_refine_diff_density_rms         0.203
_exptl_crystal_recrystallization_method 'Vapour deposition'
_chemical_properties_physical    Heat-sensitive
_exptl_crystal_preparation       Luminescent
####################################################################### 
# 
# 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_cluster-3
_database_code_depnum_ccdc_archive 'CCDC 1847203'
_audit_update_record             
;
2018-12-14 deposited with the CCDC.
2019-01-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        Cluster-3
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C102 H106 Eu6 N4 O52 Zn6'
_chemical_formula_weight         3523.89

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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

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

_cell_length_a                   18.086(4)
_cell_length_b                   22.236(5)
_cell_length_c                   20.024(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 114.808(4)
_cell_angle_gamma                90.00
_cell_volume                     7310(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    190(1)
_cell_measurement_reflns_used    8210
_cell_measurement_theta_min      1.3092
_cell_measurement_theta_max      27.7119

_exptl_crystal_description       Block
_exptl_crystal_colour            Yellow
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.07
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.601
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3440
_exptl_absorpt_coefficient_mu    3.572
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.7022
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   
'DENZO and Scalepack (Otwinoski and Minor, 1997)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      190(1)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Mercury2 (2x2 bin mode)'
_diffrn_measurement_method       dtprofit.ref
_diffrn_detector_area_resol_mean 13.6612
_diffrn_reflns_number            7019
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0946
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.28
_diffrn_reflns_theta_max         25.00
_reflns_number_total             7019
_reflns_number_gt                3884
_reflns_threshold_expression     >2sigma(I)
_computing_data_collection       'Collect software, Nonius B.V. 1998'
_computing_cell_refinement       'Collect software, Nonius B.V. 1998'
_computing_data_reduction        
;
DENZO and Scalepack (Otwinoski and Minor, 1997)
;
_computing_structure_solution    
;

SIR97 - Altomare A., Burla M.C., Camalli M., Cascarano G.L., Giacovazzo C., 
Guagliardi A., Moliterni A.G.G., Polidori G.,Spagna R.
;
_computing_structure_refinement  'XL SHELXTL/PC, Siemens Analytical'
_computing_molecular_graphics    'XP SHELXTL/PC, Siemens Analytical'
_computing_publication_material  ?



_refine_special_details          
;Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 

 Restraints: ISOR was applied to all non-hydrogen atoms to allow their Uij 
 components approximate to isotropic behavior.,SQUEEZE
;

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.007 -0.001 -0.006 2107 1183 ' '
_platon_squeeze_details          
;
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1725P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.00013(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         7019
_refine_ls_number_parameters     767
_refine_ls_number_restraints     511
_refine_ls_R_factor_all          0.1251
_refine_ls_R_factor_gt           0.0802
_refine_ls_wR_factor_ref         0.2465
_refine_ls_wR_factor_gt          0.2122
_refine_ls_goodness_of_fit_ref   0.922
_refine_ls_restrained_S_all      0.916
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 1.08555(7) 0.40078(6) 0.85908(6) 0.0738(5) Uani 1 1 d U . .
Eu2 Eu 1.10924(7) 0.36208(5) 0.69782(5) 0.0622(4) Uani 1 1 d U . .
Eu3 Eu 1.29333(7) 0.39860(6) 0.85057(6) 0.0704(5) Uani 1 1 d U . .
Zn1 Zn 0.92708(18) 0.45170(16) 0.70199(15) 0.0949(10) Uani 1 1 d U . .
Zn2 Zn 1.1889(2) 0.27237(15) 0.85420(15) 0.0974(11) Uani 1 1 d U . .
Zn3 Zn 1.28436(17) 0.43821(13) 0.68053(14) 0.0809(9) Uani 1 1 d U . .
N1 N 1.3613(12) 0.4925(9) 0.6577(11) 0.089(6) Uani 1 1 d U . .
N2 N 0.8121(12) 0.4893(9) 0.6843(11) 0.093(6) Uani 1 1 d U . .
O1 O 1.4426(10) 0.4284(8) 0.9284(9) 0.100(5) Uani 1 1 d U . .
O2 O 1.3616(9) 0.4443(8) 0.7904(8) 0.089(5) Uani 1 1 d U . .
O3 O 0.9569(10) 0.4454(8) 0.8119(9) 0.096(5) Uani 1 1 d U . .
O4 O 1.0206(12) 0.4235(9) 0.9514(9) 0.109(6) Uani 1 1 d U . .
O5 O 1.1969(10) 0.4388(8) 0.5793(8) 0.091(5) Uani 1 1 d U . .
O6 O 1.1358(9) 0.3558(7) 0.5960(8) 0.083(5) Uani 1 1 d U . .
O7 O 1.3246(9) 0.3533(7) 0.6780(9) 0.089(5) Uani 1 1 d U . .
O8 O 1.2561(10) 0.3324(7) 0.7432(9) 0.092(5) Uani 1 1 d U . .
O9 O 1.3692(11) 0.3112(9) 0.8906(10) 0.119(6) Uani 1 1 d U . .
O10 O 1.2977(12) 0.2449(8) 0.9215(10) 0.114(6) Uani 1 1 d U . .
O11 O 1.3101(10) 0.3843(8) 0.9698(9) 0.100(5) Uani 1 1 d U . .
O12 O 1.1867(12) 0.3814(8) 0.9718(10) 0.112(6) Uani 1 1 d U . .
O13 O 1.2651(11) 0.4917(8) 0.8829(9) 0.098(5) Uani 1 1 d U . .
O14 O 1.1463(11) 0.4929(8) 0.8903(8) 0.097(5) Uani 1 1 d U . .
O15 O 1.1316(14) 0.2451(10) 0.9112(12) 0.142(7) Uani 1 1 d U . .
O16 O 1.0392(12) 0.3154(10) 0.8936(11) 0.128(7) Uani 1 1 d U . .
O17 O 0.9904(10) 0.3862(7) 0.6011(8) 0.089(5) Uani 1 1 d U . .
O18 O 0.9175(9) 0.4661(7) 0.6023(8) 0.085(5) Uani 1 1 d U . .
O19 O 1.0138(10) 0.3363(7) 0.7494(9) 0.093(5) Uani 1 1 d U . .
O20 O 0.8870(10) 0.3646(7) 0.6985(8) 0.086(5) Uani 1 1 d U . .
O21 O 1.1981(9) 0.4456(7) 0.7273(7) 0.078(4) Uani 1 1 d U . .
O22 O 1.0584(9) 0.4478(7) 0.7408(7) 0.076(4) Uani 1 1 d U . .
O23 O 0.9821(11) 0.5539(8) 0.7261(9) 0.099(5) Uani 1 1 d U . .
C1 C 1.4916(17) 0.4065(13) 1.0038(15) 0.124(10) Uani 1 1 d U . .
H1A H 1.5296 0.4371 1.0314 0.186 Uiso 1 1 calc R . .
H1B H 1.5208 0.3710 1.0017 0.186 Uiso 1 1 calc R . .
H1C H 1.4563 0.3972 1.0271 0.186 Uiso 1 1 calc R . .
C2 C 1.4850(17) 0.4571(13) 0.8944(15) 0.097(8) Uani 1 1 d U . .
C3 C 1.5647(17) 0.4752(13) 0.9297(16) 0.106(9) Uani 1 1 d U . .
H3A H 1.5929 0.4677 0.9798 0.127 Uiso 1 1 calc R . .
C4 C 1.599(2) 0.5007(15) 0.8975(19) 0.131(11) Uani 1 1 d U . .
H4A H 1.6524 0.5141 0.9230 0.158 Uiso 1 1 calc R . .
C5 C 1.556(2) 0.5105(15) 0.8169(18) 0.141(12) Uani 1 1 d U . .
H5A H 1.5825 0.5280 0.7911 0.169 Uiso 1 1 calc R . .
C6 C 1.4708(17) 0.4925(13) 0.7785(16) 0.103(8) Uani 1 1 d U . .
C7 C 1.4400(16) 0.4702(11) 0.8184(13) 0.083(7) Uani 1 1 d U . .
C8 C 1.4329(15) 0.5127(12) 0.7020(14) 0.092(8) Uani 1 1 d U . .
H8A H 1.4599 0.5400 0.6848 0.111 Uiso 1 1 calc R . .
C9 C 1.3304(14) 0.5242(12) 0.5850(13) 0.081(7) Uani 1 1 d U . .
C10 C 1.3228(15) 0.5811(12) 0.5818(14) 0.092(8) Uani 1 1 d U . .
H10A H 1.3411 0.6024 0.6258 0.110 Uiso 1 1 calc R . .
C11 C 1.2863(16) 0.6158(12) 0.5115(15) 0.103(9) Uani 1 1 d U . .
H11A H 1.2816 0.6575 0.5100 0.124 Uiso 1 1 calc R . .
C12 C 1.2596(15) 0.5798(11) 0.4477(14) 0.088(7) Uani 1 1 d U . .
H12A H 1.2352 0.5990 0.4024 0.105 Uiso 1 1 calc R . .
C13 C 1.2672(13) 0.5181(10) 0.4481(12) 0.069(6) Uani 1 1 d U . .
C14 C 1.2393(13) 0.4839(11) 0.3845(12) 0.072(6) Uani 1 1 d U . .
C15 C 1.2499(15) 0.4221(12) 0.3871(14) 0.092(8) Uani 1 1 d U . .
H15A H 1.2258 0.3980 0.3455 0.111 Uiso 1 1 calc R . .
C16 C 1.3000(15) 0.3978(12) 0.4577(15) 0.094(8) Uani 1 1 d U . .
H16A H 1.3175 0.3581 0.4604 0.113 Uiso 1 1 calc R . .
C17 C 1.3229(14) 0.4289(11) 0.5194(14) 0.083(7) Uani 1 1 d U . .
H17A H 1.3499 0.4093 0.5642 0.100 Uiso 1 1 calc R . .
C18 C 1.3080(12) 0.4881(10) 0.5190(11) 0.064(6) Uani 1 1 d U . .
C21 C 0.7877(15) 0.4932(11) 0.7353(13) 0.088(7) Uani 1 1 d U . .
H21A H 0.7360 0.5091 0.7224 0.106 Uiso 1 1 calc R . .
C22 C 0.8337(17) 0.4750(12) 0.8134(14) 0.096(8) Uani 1 1 d U . .
C23 C 0.789(2) 0.4798(16) 0.8563(18) 0.138(11) Uani 1 1 d U . .
H23A H 0.7357 0.4943 0.8330 0.166 Uiso 1 1 calc R . .
C24 C 0.816(2) 0.4650(15) 0.9285(19) 0.145(12) Uani 1 1 d U . .
H24A H 0.7839 0.4674 0.9544 0.174 Uiso 1 1 calc R . .
C25 C 0.8965(17) 0.4460(13) 0.9601(16) 0.107(9) Uani 1 1 d U . .
H25A H 0.9209 0.4371 1.0101 0.129 Uiso 1 1 calc R . .
C26 C 0.9389(15) 0.4402(11) 0.9210(13) 0.077(7) Uani 1 1 d U . .
C27 C 0.9080(18) 0.4532(13) 0.8460(16) 0.102(8) Uani 1 1 d U . .
C28 C 1.0552(18) 0.4040(13) 1.0301(15) 0.128(11) Uani 1 1 d U . .
H28A H 1.0462 0.4348 1.0594 0.191 Uiso 1 1 calc R . .
H28B H 1.1126 0.3970 1.0471 0.191 Uiso 1 1 calc R . .
H28C H 1.0290 0.3675 1.0343 0.191 Uiso 1 1 calc R . .
C29 C 0.953(2) 0.6004(16) 0.767(2) 0.175(15) Uani 1 1 d U . .
H29A H 0.9989 0.6193 0.8045 0.263 Uiso 1 1 calc R . .
H29B H 0.9208 0.5806 0.7880 0.263 Uiso 1 1 calc R . .
H29C H 0.9200 0.6303 0.7322 0.263 Uiso 1 1 calc R . .
C30 C 1.0509(16) 0.5545(13) 0.7204(13) 0.086(7) Uani 1 1 d U . .
C31 C 1.0831(16) 0.6067(12) 0.7052(13) 0.091(8) Uani 1 1 d U . .
H31A H 1.0546 0.6426 0.6994 0.110 Uiso 1 1 calc R . .
C32 C 1.1541(14) 0.6068(11) 0.6989(12) 0.079(7) Uani 1 1 d U . .
H32A H 1.1756 0.6426 0.6907 0.095 Uiso 1 1 calc R . .
C33 C 1.1981(13) 0.5487(9) 0.7052(11) 0.065(6) Uani 1 1 d U . .
H33A H 1.2466 0.5461 0.6998 0.078 Uiso 1 1 calc R . .
C34 C 1.1613(14) 0.5000(11) 0.7194(12) 0.072(6) Uani 1 1 d U . .
C35 C 1.0885(14) 0.5002(11) 0.7277(12) 0.074(7) Uani 1 1 d U . .
C36 C 1.309(2) 0.2501(15) 0.7029(19) 0.154(13) Uani 1 1 d U . .
H36A H 1.3409 0.2445 0.6757 0.231 Uiso 1 1 calc R . .
H36B H 1.2571 0.2303 0.6780 0.231 Uiso 1 1 calc R . .
H36C H 1.3367 0.2335 0.7513 0.231 Uiso 1 1 calc R . .
C37 C 1.2952(16) 0.3141(12) 0.7086(15) 0.089(8) Uani 1 1 d U . .
C38 C 1.1062(15) 0.3854(11) 0.4733(13) 0.090(8) Uani 1 1 d U . .
H38A H 1.1190 0.4182 0.4487 0.135 Uiso 1 1 calc R . .
H38B H 1.0486 0.3848 0.4598 0.135 Uiso 1 1 calc R . .
H38C H 1.1224 0.3482 0.4592 0.135 Uiso 1 1 calc R . .
C39 C 1.1502(14) 0.3934(11) 0.5538(13) 0.071(6) Uani 1 1 d U . .
C41 C 1.4394(18) 0.2332(14) 0.9732(17) 0.139(11) Uani 1 1 d U . .
H41A H 1.4278 0.2006 0.9987 0.208 Uiso 1 1 calc R . .
H41B H 1.4741 0.2618 1.0083 0.208 Uiso 1 1 calc R . .
H41C H 1.4663 0.2180 0.9443 0.208 Uiso 1 1 calc R . .
C42 C 1.3565(19) 0.2651(14) 0.9207(16) 0.100(9) Uani 1 1 d U . .
C43 C 1.0915(17) 0.1549(12) 0.6728(15) 0.123(10) Uani 1 1 d U . .
H43A H 1.0600 0.1624 0.6213 0.185 Uiso 1 1 calc R . .
H43B H 1.0601 0.1312 0.6915 0.185 Uiso 1 1 calc R . .
H43C H 1.1403 0.1336 0.6795 0.185 Uiso 1 1 calc R . .
C44 C 1.1133(17) 0.2125(14) 0.7126(16) 0.102(9) Uani 1 1 d U . .
C45 C 1.030(3) 0.230(2) 0.959(3) 0.22(3) Uani 1 1 d DU . .
H45A H 1.0640 0.1962 0.9820 0.328 Uiso 1 1 calc R . .
H45B H 0.9758 0.2164 0.9285 0.328 Uiso 1 1 calc R . .
H45C H 1.0279 0.2563 0.9967 0.328 Uiso 1 1 calc R . .
C46 C 1.065(3) 0.265(2) 0.912(2) 0.154(14) Uani 1 1 d DU . .
C47 C 1.299(2) 0.3541(15) 1.0818(17) 0.153(13) Uani 1 1 d U . .
H47A H 1.3573 0.3497 1.1018 0.229 Uiso 1 1 calc R . .
H47B H 1.2750 0.3167 1.0862 0.229 Uiso 1 1 calc R . .
H47C H 1.2854 0.3849 1.1083 0.229 Uiso 1 1 calc R . .
C48 C 1.2661(15) 0.3722(10) 0.9987(12) 0.066(6) Uani 1 1 d U . .
C49 C 0.9105(18) 0.4322(14) 0.4907(15) 0.127(10) Uani 1 1 d U . .
H49A H 0.8733 0.4652 0.4723 0.190 Uiso 1 1 calc R . .
H49B H 0.8830 0.3953 0.4696 0.190 Uiso 1 1 calc R . .
H49C H 0.9555 0.4378 0.4777 0.190 Uiso 1 1 calc R . .
C50 C 0.9406(13) 0.4294(11) 0.5703(12) 0.069(6) Uani 1 1 d U . .
C51 C 0.921(2) 0.2590(19) 0.716(2) 0.199(18) Uani 1 1 d U . .
H51A H 0.8633 0.2545 0.6887 0.299 Uiso 1 1 calc R . .
H51B H 0.9370 0.2454 0.7654 0.299 Uiso 1 1 calc R . .
H51C H 0.9485 0.2355 0.6928 0.299 Uiso 1 1 calc R . .
C52 C 0.943(2) 0.3222(14) 0.7163(16) 0.105(9) Uani 1 1 d U . .
C53 C 1.2232(15) 0.5834(11) 0.9054(14) 0.098(8) Uani 1 1 d U . .
H53A H 1.1774 0.6009 0.9106 0.147 Uiso 1 1 calc R . .
H53B H 1.2285 0.6009 0.8638 0.147 Uiso 1 1 calc R . .
H53C H 1.2719 0.5909 0.9491 0.147 Uiso 1 1 calc R . .
C54 C 1.2103(17) 0.5155(12) 0.8938(13) 0.082(7) Uani 1 1 d U . .
O29 O 1.1541(14) 0.2093(10) 0.7816(13) 0.143(7) Uani 1 1 d U . .
O30 O 1.0983(10) 0.2607(7) 0.6799(8) 0.091(5) Uani 1 1 d U . .
O31 O 1.1713(8) 0.3545(6) 0.8241(7) 0.070(4) Uani 1 1 d 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
Eu1 O31 2.207(14) . ?
Eu1 O12 2.272(18) . ?
Eu1 O14 2.284(18) . ?
Eu1 O16 2.30(2) . ?
Eu1 O3 2.334(15) . ?
Eu1 O22 2.444(14) . ?
Eu1 O19 2.484(17) . ?
Eu1 O4 2.623(17) . ?
Eu1 Zn2 3.437(4) . ?
Eu1 Zn1 3.439(3) . ?
Eu1 Eu2 3.5372(17) . ?
Eu1 Eu3 3.8328(19) . ?
Eu2 O17 2.273(16) . ?
Eu2 O30 2.279(16) . ?
Eu2 O6 2.286(16) . ?
Eu2 O31 2.302(12) . ?
Eu2 O21 2.363(15) . ?
Eu2 O19 2.423(17) . ?
Eu2 O22 2.425(14) . ?
Eu2 O8 2.508(16) . ?
Eu2 C35 3.18(2) . ?
Eu2 C34 3.18(2) . ?
Eu2 Zn2 3.475(3) . ?
Eu3 O31 2.265(14) . ?
Eu3 O13 2.291(17) . ?
Eu3 O2 2.292(15) . ?
Eu3 O11 2.300(17) . ?
Eu3 O9 2.319(19) . ?
Eu3 O8 2.455(17) . ?
Eu3 O21 2.565(14) . ?
Eu3 O1 2.575(17) . ?
Eu3 C48 3.26(2) . ?
Eu3 Zn2 3.401(4) . ?
Eu3 Zn3 3.454(3) . ?
Zn1 O18 1.956(16) . ?
Zn1 O3 2.040(16) . ?
Zn1 O20 2.058(16) . ?
Zn1 N2 2.13(2) . ?
Zn1 O22 2.169(15) . ?
Zn1 O23 2.445(17) . ?
Zn2 O31 1.908(14) . ?
Zn2 O29 1.93(2) . ?
Zn2 O15 1.93(2) . ?
Zn2 O10 1.958(19) . ?
Zn3 O5 1.980(15) . ?
Zn3 O7 2.031(16) . ?
Zn3 N1 2.03(2) . ?
Zn3 O2 2.057(15) . ?
Zn3 O21 2.137(15) . ?
N1 C8 1.31(3) . ?
N1 C9 1.50(3) . ?
N2 C21 1.27(3) . ?
N2 C14 1.43(3) 3_766 ?
O1 C2 1.38(3) . ?
O1 C1 1.48(3) . ?
O2 C7 1.41(3) . ?
O3 C27 1.33(3) . ?
O4 C26 1.39(3) . ?
O4 C28 1.50(3) . ?
O5 C39 1.28(2) . ?
O6 C39 1.29(2) . ?
O7 C37 1.30(3) . ?
O8 C37 1.25(3) . ?
O9 C42 1.26(3) . ?
O10 C42 1.16(3) . ?
O11 C48 1.19(2) . ?
O12 C48 1.32(3) . ?
O13 C54 1.22(3) . ?
O14 C54 1.24(3) . ?
O15 C46 1.29(4) . ?
O16 C46 1.21(4) . ?
O17 C50 1.28(2) . ?
O18 C50 1.21(2) . ?
O19 C52 1.21(3) . ?
O20 C52 1.32(3) . ?
O21 C34 1.36(2) . ?
O22 C35 1.36(3) . ?
O23 C30 1.30(3) . ?
O23 C29 1.54(4) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C3 1.37(3) . ?
C2 C7 1.42(3) . ?
C3 C4 1.21(4) . ?
C3 H3A 0.9300 . ?
C4 C5 1.49(4) . ?
C4 H4A 0.9300 . ?
C5 C6 1.45(4) . ?
C5 H5A 0.9300 . ?
C6 C7 1.25(3) . ?
C6 C8 1.46(3) . ?
C8 H8A 0.9300 . ?
C9 C10 1.27(3) . ?
C9 C18 1.45(3) . ?
C10 C11 1.49(3) . ?
C10 H10A 0.9300 . ?
C11 C12 1.41(3) . ?
C11 H11A 0.9300 . ?
C12 C13 1.38(3) . ?
C12 H12A 0.9300 . ?
C13 C14 1.38(3) . ?
C13 C18 1.46(3) . ?
C14 C15 1.39(3) . ?
C14 N2 1.43(3) 3_766 ?
C15 C16 1.43(3) . ?
C15 H15A 0.9300 . ?
C16 C17 1.32(3) . ?
C16 H16A 0.9300 . ?
C17 C18 1.34(3) . ?
C17 H17A 0.9300 . ?
C21 C22 1.49(3) . ?
C21 H21A 0.9300 . ?
C22 C27 1.32(3) . ?
C22 C23 1.41(4) . ?
C23 C24 1.36(4) . ?
C23 H23A 0.9300 . ?
C24 C25 1.39(4) . ?
C24 H24A 0.9300 . ?
C25 C26 1.31(3) . ?
C25 H25A 0.9300 . ?
C26 C27 1.40(3) . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 C35 1.36(3) . ?
C30 C31 1.39(3) . ?
C31 C32 1.34(3) . ?
C31 H31A 0.9300 . ?
C32 C33 1.49(3) . ?
C32 H32A 0.9300 . ?
C33 C34 1.36(3) . ?
C33 H33A 0.9300 . ?
C34 C35 1.40(3) . ?
C36 C37 1.46(4) . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C38 C39 1.48(3) . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C41 C42 1.59(4) . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C43 C44 1.47(4) . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C44 O30 1.22(3) . ?
C44 O29 1.27(3) . ?
C45 C46 1.552(10) . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C47 C48 1.57(3) . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C49 C50 1.45(3) . ?
C49 H49A 0.9600 . ?
C49 H49B 0.9600 . ?
C49 H49C 0.9600 . ?
C51 C52 1.46(4) . ?
C51 H51A 0.9600 . ?
C51 H51B 0.9600 . ?
C51 H51C 0.9600 . ?
C53 C54 1.53(3) . ?
C53 H53A 0.9600 . ?
C53 H53B 0.9600 . ?
C53 H53C 0.9600 . ?

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
O31 Eu1 O12 81.2(6) . . ?
O31 Eu1 O14 100.6(6) . . ?
O12 Eu1 O14 78.7(6) . . ?
O31 Eu1 O16 96.0(6) . . ?
O12 Eu1 O16 77.7(7) . . ?
O14 Eu1 O16 148.6(6) . . ?
O31 Eu1 O3 141.7(5) . . ?
O12 Eu1 O3 137.2(6) . . ?
O14 Eu1 O3 90.7(6) . . ?
O16 Eu1 O3 92.6(7) . . ?
O31 Eu1 O22 76.9(5) . . ?
O12 Eu1 O22 142.6(6) . . ?
O14 Eu1 O22 76.1(5) . . ?
O16 Eu1 O22 134.1(6) . . ?
O3 Eu1 O22 70.5(5) . . ?
O31 Eu1 O19 68.0(5) . . ?
O12 Eu1 O19 132.3(6) . . ?
O14 Eu1 O19 140.6(5) . . ?
O16 Eu1 O19 70.6(6) . . ?
O3 Eu1 O19 80.0(6) . . ?
O22 Eu1 O19 64.7(5) . . ?
O31 Eu1 O4 153.7(5) . . ?
O12 Eu1 O4 75.5(6) . . ?
O14 Eu1 O4 86.6(6) . . ?
O16 Eu1 O4 67.6(7) . . ?
O3 Eu1 O4 62.4(6) . . ?
O22 Eu1 O4 129.3(5) . . ?
O19 Eu1 O4 120.8(6) . . ?
O31 Eu1 Zn2 30.7(4) . . ?
O12 Eu1 Zn2 69.5(5) . . ?
O14 Eu1 Zn2 123.2(5) . . ?
O16 Eu1 Zn2 66.0(5) . . ?
O3 Eu1 Zn2 143.5(4) . . ?
O22 Eu1 Zn2 102.6(3) . . ?
O19 Eu1 Zn2 65.4(4) . . ?
O4 Eu1 Zn2 126.2(4) . . ?
O31 Eu1 Zn1 106.9(3) . . ?
O12 Eu1 Zn1 170.3(5) . . ?
O14 Eu1 Zn1 94.3(4) . . ?
O16 Eu1 Zn1 106.2(5) . . ?
O3 Eu1 Zn1 35.2(4) . . ?
O22 Eu1 Zn1 38.8(3) . . ?
O19 Eu1 Zn1 57.0(4) . . ?
O4 Eu1 Zn1 97.7(4) . . ?
Zn2 Eu1 Zn1 120.14(8) . . ?
O31 Eu1 Eu2 39.3(3) . . ?
O12 Eu1 Eu2 120.3(5) . . ?
O14 Eu1 Eu2 103.9(4) . . ?
O16 Eu1 Eu2 105.8(5) . . ?
O3 Eu1 Eu2 102.5(4) . . ?
O22 Eu1 Eu2 43.2(3) . . ?
O19 Eu1 Eu2 43.2(4) . . ?
O4 Eu1 Eu2 162.2(4) . . ?
Zn2 Eu1 Eu2 59.75(6) . . ?
Zn1 Eu1 Eu2 67.59(6) . . ?
O31 Eu1 Eu3 31.4(4) . . ?
O12 Eu1 Eu3 69.2(5) . . ?
O14 Eu1 Eu3 69.9(5) . . ?
O16 Eu1 Eu3 119.4(5) . . ?
O3 Eu1 Eu3 144.8(4) . . ?
O22 Eu1 Eu3 76.4(3) . . ?
O19 Eu1 Eu3 96.4(4) . . ?
O4 Eu1 Eu3 140.5(4) . . ?
Zn2 Eu1 Eu3 55.46(6) . . ?
Zn1 Eu1 Eu3 114.83(6) . . ?
Eu2 Eu1 Eu3 57.30(3) . . ?
O17 Eu2 O30 96.3(6) . . ?
O17 Eu2 O6 74.5(5) . . ?
O30 Eu2 O6 80.6(6) . . ?
O17 Eu2 O31 143.6(5) . . ?
O30 Eu2 O31 94.0(5) . . ?
O6 Eu2 O31 141.9(5) . . ?
O17 Eu2 O21 109.2(5) . . ?
O30 Eu2 O21 145.3(5) . . ?
O6 Eu2 O21 84.0(5) . . ?
O31 Eu2 O21 79.4(5) . . ?
O17 Eu2 O19 80.3(6) . . ?
O30 Eu2 O19 78.6(6) . . ?
O6 Eu2 O19 145.0(6) . . ?
O31 Eu2 O19 67.7(5) . . ?
O21 Eu2 O19 127.6(5) . . ?
O17 Eu2 O22 75.7(5) . . ?
O30 Eu2 O22 144.4(6) . . ?
O6 Eu2 O22 128.1(5) . . ?
O31 Eu2 O22 75.6(5) . . ?
O21 Eu2 O22 67.2(5) . . ?
O19 Eu2 O22 65.9(5) . . ?
O17 Eu2 O8 148.2(6) . . ?
O30 Eu2 O8 78.8(6) . . ?
O6 Eu2 O8 73.8(5) . . ?
O31 Eu2 O8 68.2(5) . . ?
O21 Eu2 O8 67.1(5) . . ?
O19 Eu2 O8 128.2(5) . . ?
O22 Eu2 O8 125.4(5) . . ?
O17 Eu2 C35 77.8(6) . . ?
O30 Eu2 C35 167.3(6) . . ?
O6 Eu2 C35 108.2(6) . . ?
O31 Eu2 C35 84.6(5) . . ?
O21 Eu2 C35 46.8(6) . . ?
O19 Eu2 C35 89.2(6) . . ?
O22 Eu2 C35 23.4(5) . . ?
O8 Eu2 C35 112.1(6) . . ?
O17 Eu2 C34 90.5(6) . . ?
O30 Eu2 C34 167.4(6) . . ?
O6 Eu2 C34 91.1(6) . . ?
O31 Eu2 C34 86.6(5) . . ?
O21 Eu2 C34 22.7(5) . . ?
O19 Eu2 C34 113.2(6) . . ?
O22 Eu2 C34 47.9(5) . . ?
O8 Eu2 C34 89.8(6) . . ?
C35 Eu2 C34 25.3(5) . . ?
O17 Eu2 Zn2 142.1(4) . . ?
O30 Eu2 Zn2 63.2(4) . . ?
O6 Eu2 Zn2 127.3(4) . . ?
O31 Eu2 Zn2 30.9(3) . . ?
O21 Eu2 Zn2 104.1(3) . . ?
O19 Eu2 Zn2 65.2(4) . . ?
O22 Eu2 Zn2 102.0(3) . . ?
O8 Eu2 Zn2 63.0(4) . . ?
C35 Eu2 Zn2 114.9(4) . . ?
C34 Eu2 Zn2 116.3(4) . . ?
O17 Eu2 Eu1 106.7(4) . . ?
O30 Eu2 Eu1 110.4(4) . . ?
O6 Eu2 Eu1 168.5(4) . . ?
O31 Eu2 Eu1 37.4(3) . . ?
O21 Eu2 Eu1 84.9(4) . . ?
O19 Eu2 Eu1 44.6(4) . . ?
O22 Eu2 Eu1 43.6(3) . . ?
O8 Eu2 Eu1 104.4(4) . . ?
C35 Eu2 Eu1 61.6(4) . . ?
C34 Eu2 Eu1 77.5(4) . . ?
Zn2 Eu2 Eu1 58.69(6) . . ?
O31 Eu3 O13 98.4(6) . . ?
O31 Eu3 O2 139.0(5) . . ?
O13 Eu3 O2 88.9(6) . . ?
O31 Eu3 O11 82.8(5) . . ?
O13 Eu3 O11 77.2(6) . . ?
O2 Eu3 O11 137.9(6) . . ?
O31 Eu3 O9 95.5(6) . . ?
O13 Eu3 O9 146.1(6) . . ?
O2 Eu3 O9 100.5(7) . . ?
O11 Eu3 O9 74.0(7) . . ?
O31 Eu3 O8 69.7(5) . . ?
O13 Eu3 O8 141.1(5) . . ?
O2 Eu3 O8 79.4(6) . . ?
O11 Eu3 O8 134.0(6) . . ?
O9 Eu3 O8 72.9(6) . . ?
O31 Eu3 O21 75.9(5) . . ?
O13 Eu3 O21 76.4(5) . . ?
O2 Eu3 O21 66.8(5) . . ?
O11 Eu3 O21 142.9(6) . . ?
O9 Eu3 O21 137.3(6) . . ?
O8 Eu3 O21 64.9(5) . . ?
O31 Eu3 O1 157.6(5) . . ?
O13 Eu3 O1 84.1(6) . . ?
O2 Eu3 O1 62.9(5) . . ?
O11 Eu3 O1 76.1(6) . . ?
O9 Eu3 O1 71.8(6) . . ?
O8 Eu3 O1 121.2(6) . . ?
O21 Eu3 O1 126.0(5) . . ?
O31 Eu3 C48 68.3(5) . . ?
O13 Eu3 C48 76.6(6) . . ?
O2 Eu3 C48 151.5(6) . . ?
O11 Eu3 C48 15.0(6) . . ?
O9 Eu3 C48 80.1(6) . . ?
O8 Eu3 C48 126.7(6) . . ?
O21 Eu3 C48 130.7(5) . . ?
O1 Eu3 C48 90.9(6) . . ?
O31 Eu3 Zn2 32.1(3) . . ?
O13 Eu3 Zn2 123.2(5) . . ?
O2 Eu3 Zn2 143.5(4) . . ?
O11 Eu3 Zn2 72.3(4) . . ?
O9 Eu3 Zn2 63.6(5) . . ?
O8 Eu3 Zn2 64.7(4) . . ?
O21 Eu3 Zn2 101.7(3) . . ?
O1 Eu3 Zn2 130.6(4) . . ?
C48 Eu3 Zn2 62.2(4) . . ?
O31 Eu3 Zn3 104.0(3) . . ?
O13 Eu3 Zn3 97.2(4) . . ?
O2 Eu3 Zn3 35.1(4) . . ?
O11 Eu3 Zn3 171.9(4) . . ?
O9 Eu3 Zn3 109.3(5) . . ?
O8 Eu3 Zn3 53.7(4) . . ?
O21 Eu3 Zn3 38.1(3) . . ?
O1 Eu3 Zn3 97.7(4) . . ?
C48 Eu3 Zn3 168.8(4) . . ?
Zn2 Eu3 Zn3 115.76(7) . . ?
O31 Eu3 Eu2 39.5(3) . . ?
O13 Eu3 Eu2 102.2(4) . . ?
O2 Eu3 Eu2 99.6(4) . . ?
O11 Eu3 Eu2 122.1(4) . . ?
O9 Eu3 Eu2 108.2(5) . . ?
O8 Eu3 Eu2 45.0(4) . . ?
O21 Eu3 Eu2 41.8(3) . . ?
O1 Eu3 Eu2 161.6(4) . . ?
C48 Eu3 Eu2 107.4(4) . . ?
Zn2 Eu3 Eu2 60.02(5) . . ?
Zn3 Eu3 Eu2 64.47(5) . . ?
O18 Zn1 O3 169.3(7) . . ?
O18 Zn1 O20 103.9(7) . . ?
O3 Zn1 O20 84.4(7) . . ?
O18 Zn1 N2 96.0(7) . . ?
O3 Zn1 N2 90.2(7) . . ?
O20 Zn1 N2 93.4(7) . . ?
O18 Zn1 O22 89.2(6) . . ?
O3 Zn1 O22 81.8(6) . . ?
O20 Zn1 O22 107.0(6) . . ?
N2 Zn1 O22 157.2(7) . . ?
O18 Zn1 O23 84.5(6) . . ?
O3 Zn1 O23 87.1(6) . . ?
O20 Zn1 O23 171.4(6) . . ?
N2 Zn1 O23 87.5(7) . . ?
O22 Zn1 O23 70.9(6) . . ?
O18 Zn1 Eu1 132.1(5) . . ?
O3 Zn1 Eu1 41.3(4) . . ?
O20 Zn1 Eu1 82.4(4) . . ?
N2 Zn1 Eu1 131.5(6) . . ?
O22 Zn1 Eu1 44.9(4) . . ?
O23 Zn1 Eu1 90.6(4) . . ?
O31 Zn2 O29 120.0(8) . . ?
O31 Zn2 O15 115.3(8) . . ?
O29 Zn2 O15 97.5(10) . . ?
O31 Zn2 O10 120.2(7) . . ?
O29 Zn2 O10 102.0(9) . . ?
O15 Zn2 O10 97.3(9) . . ?
O31 Zn2 Eu3 39.1(4) . . ?
O29 Zn2 Eu3 126.5(7) . . ?
O15 Zn2 Eu3 135.4(7) . . ?
O10 Zn2 Eu3 82.3(6) . . ?
O31 Zn2 Eu1 36.2(4) . . ?
O29 Zn2 Eu1 128.1(7) . . ?
O15 Zn2 Eu1 79.1(7) . . ?
O10 Zn2 Eu1 129.9(6) . . ?
Eu3 Zn2 Eu1 68.19(7) . . ?
O31 Zn2 Eu2 38.2(4) . . ?
O29 Zn2 Eu2 81.8(7) . . ?
O15 Zn2 Eu2 126.1(7) . . ?
O10 Zn2 Eu2 135.8(6) . . ?
Eu3 Zn2 Eu2 62.03(6) . . ?
Eu1 Zn2 Eu2 61.56(6) . . ?
O5 Zn3 O7 97.0(7) . . ?
O5 Zn3 N1 95.4(8) . . ?
O7 Zn3 N1 105.1(7) . . ?
O5 Zn3 O2 170.7(7) . . ?
O7 Zn3 O2 89.9(7) . . ?
N1 Zn3 O2 88.9(7) . . ?
O5 Zn3 O21 91.8(6) . . ?
O7 Zn3 O21 114.7(6) . . ?
N1 Zn3 O21 138.3(7) . . ?
O2 Zn3 O21 79.5(6) . . ?
O5 Zn3 Eu3 134.2(5) . . ?
O7 Zn3 Eu3 85.3(5) . . ?
N1 Zn3 Eu3 128.3(6) . . ?
O2 Zn3 Eu3 39.8(4) . . ?
O21 Zn3 Eu3 47.8(4) . . ?
O5 Zn3 Eu2 75.7(5) . . ?
O7 Zn3 Eu2 84.7(5) . . ?
N1 Zn3 Eu2 167.7(6) . . ?
O2 Zn3 Eu2 98.7(4) . . ?
O21 Zn3 Eu2 35.9(4) . . ?
Eu3 Zn3 Eu2 58.92(5) . . ?
C8 N1 C9 111(2) . . ?
C8 N1 Zn3 129.0(19) . . ?
C9 N1 Zn3 119.1(15) . . ?
C21 N2 C14 116(2) . 3_766 ?
C21 N2 Zn1 122.4(18) . . ?
C14 N2 Zn1 121.3(15) 3_766 . ?
C2 O1 C1 116(2) . . ?
C2 O1 Eu3 118.6(15) . . ?
C1 O1 Eu3 124.1(15) . . ?
C7 O2 Zn3 124.7(14) . . ?
C7 O2 Eu3 130.2(14) . . ?
Zn3 O2 Eu3 105.0(7) . . ?
C27 O3 Zn1 127.6(16) . . ?
C27 O3 Eu1 127.6(17) . . ?
Zn1 O3 Eu1 103.5(7) . . ?
C26 O4 C28 116(2) . . ?
C26 O4 Eu1 116.8(14) . . ?
C28 O4 Eu1 125.0(16) . . ?
C39 O5 Zn3 121.0(16) . . ?
C39 O6 Eu2 136.1(15) . . ?
C37 O7 Zn3 113.0(16) . . ?
C37 O8 Eu3 132.1(17) . . ?
C37 O8 Eu2 130.2(16) . . ?
Eu3 O8 Eu2 91.1(6) . . ?
C42 O9 Eu3 130(2) . . ?
C42 O10 Zn2 122(2) . . ?
C48 O11 Eu3 135.2(16) . . ?
C48 O12 Eu1 136.0(16) . . ?
C54 O13 Eu3 137.4(19) . . ?
C54 O14 Eu1 135.3(18) . . ?
C46 O15 Zn2 129(2) . . ?
C46 O16 Eu1 136(3) . . ?
C50 O17 Eu2 143.8(15) . . ?
C50 O18 Zn1 121.7(15) . . ?
C52 O19 Eu2 127.4(18) . . ?
C52 O19 Eu1 132.4(19) . . ?
Eu2 O19 Eu1 92.2(6) . . ?
C52 O20 Zn1 116.4(17) . . ?
C34 O21 Zn3 115.4(14) . . ?
C34 O21 Eu2 115.0(13) . . ?
Zn3 O21 Eu2 112.0(6) . . ?
C34 O21 Eu3 125.0(12) . . ?
Zn3 O21 Eu3 94.1(5) . . ?
Eu2 O21 Eu3 91.8(5) . . ?
C35 O22 Zn1 111.4(13) . . ?
C35 O22 Eu2 111.4(13) . . ?
Zn1 O22 Eu2 115.2(6) . . ?
C35 O22 Eu1 128.4(13) . . ?
Zn1 O22 Eu1 96.2(5) . . ?
Eu2 O22 Eu1 93.2(5) . . ?
C30 O23 C29 127(2) . . ?
C30 O23 Zn1 108.5(16) . . ?
C29 O23 Zn1 121.8(17) . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C3 C2 O1 124(3) . . ?
C3 C2 C7 120(3) . . ?
O1 C2 C7 116(2) . . ?
C4 C3 C2 122(3) . . ?
C4 C3 H3A 119.1 . . ?
C2 C3 H3A 119.1 . . ?
C3 C4 C5 119(3) . . ?
C3 C4 H4A 120.3 . . ?
C5 C4 H4A 120.3 . . ?
C6 C5 C4 120(3) . . ?
C6 C5 H5A 120.2 . . ?
C4 C5 H5A 120.2 . . ?
C7 C6 C5 115(3) . . ?
C7 C6 C8 131(3) . . ?
C5 C6 C8 113(3) . . ?
C6 C7 O2 123(2) . . ?
C6 C7 C2 124(3) . . ?
O2 C7 C2 112(2) . . ?
N1 C8 C6 120(3) . . ?
N1 C8 H8A 120.0 . . ?
C6 C8 H8A 120.0 . . ?
C10 C9 C18 121(2) . . ?
C10 C9 N1 120(2) . . ?
C18 C9 N1 118(2) . . ?
C9 C10 C11 124(3) . . ?
C9 C10 H10A 118.1 . . ?
C11 C10 H10A 118.1 . . ?
C12 C11 C10 114(2) . . ?
C12 C11 H11A 122.9 . . ?
C10 C11 H11A 122.9 . . ?
C13 C12 C11 124(2) . . ?
C13 C12 H12A 117.8 . . ?
C11 C12 H12A 117.8 . . ?
C12 C13 C14 123(2) . . ?
C12 C13 C18 118(2) . . ?
C14 C13 C18 119(2) . . ?
C15 C14 C13 121(2) . . ?
C15 C14 N2 118(2) . 3_766 ?
C13 C14 N2 120(2) . 3_766 ?
C14 C15 C16 116(2) . . ?
C14 C15 H15A 122.2 . . ?
C16 C15 H15A 122.2 . . ?
C17 C16 C15 123(3) . . ?
C17 C16 H16A 118.4 . . ?
C15 C16 H16A 118.4 . . ?
C16 C17 C18 122(2) . . ?
C16 C17 H17A 119.2 . . ?
C18 C17 H17A 119.2 . . ?
C17 C18 C9 124(2) . . ?
C17 C18 C13 118(2) . . ?
C9 C18 C13 118(2) . . ?
N2 C21 C22 127(2) . . ?
N2 C21 H21A 116.7 . . ?
C22 C21 H21A 116.7 . . ?
C27 C22 C23 117(3) . . ?
C27 C22 C21 129(3) . . ?
C23 C22 C21 114(3) . . ?
C24 C23 C22 126(3) . . ?
C24 C23 H23A 117.2 . . ?
C22 C23 H23A 117.2 . . ?
C23 C24 C25 114(3) . . ?
C23 C24 H24A 123.1 . . ?
C25 C24 H24A 123.1 . . ?
C26 C25 C24 121(3) . . ?
C26 C25 H25A 119.3 . . ?
C24 C25 H25A 119.3 . . ?
C25 C26 O4 123(2) . . ?
C25 C26 C27 123(3) . . ?
O4 C26 C27 113(2) . . ?
C22 C27 O3 124(3) . . ?
C22 C27 C26 118(3) . . ?
O3 C27 C26 118(3) . . ?
O4 C28 H28A 109.5 . . ?
O4 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
O4 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
O23 C29 H29A 109.5 . . ?
O23 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
O23 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
O23 C30 C35 116(3) . . ?
O23 C30 C31 122(3) . . ?
C35 C30 C31 122(3) . . ?
C32 C31 C30 122(3) . . ?
C32 C31 H31A 119.1 . . ?
C30 C31 H31A 119.1 . . ?
C31 C32 C33 119(2) . . ?
C31 C32 H32A 120.4 . . ?
C33 C32 H32A 120.4 . . ?
C34 C33 C32 114(2) . . ?
C34 C33 H33A 122.8 . . ?
C32 C33 H33A 122.8 . . ?
O21 C34 C33 118(2) . . ?
O21 C34 C35 115(2) . . ?
C33 C34 C35 126(2) . . ?
O21 C34 Eu2 42.3(10) . . ?
C33 C34 Eu2 151.6(17) . . ?
C35 C34 Eu2 77.2(15) . . ?
O22 C35 C30 124(2) . . ?
O22 C35 C34 120(2) . . ?
C30 C35 C34 116(3) . . ?
O22 C35 Eu2 45.2(10) . . ?
C30 C35 Eu2 158.1(17) . . ?
C34 C35 Eu2 77.5(15) . . ?
C37 C36 H36A 109.5 . . ?
C37 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C37 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
O8 C37 O7 119(2) . . ?
O8 C37 C36 121(3) . . ?
O7 C37 C36 120(3) . . ?
C39 C38 H38A 109.5 . . ?
C39 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C39 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
O5 C39 O6 122(2) . . ?
O5 C39 C38 120(2) . . ?
O6 C39 C38 118(2) . . ?
C42 C41 H41A 109.5 . . ?
C42 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C42 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
O10 C42 O9 132(3) . . ?
O10 C42 C41 116(3) . . ?
O9 C42 C41 112(3) . . ?
C44 C43 H43A 109.5 . . ?
C44 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C44 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
O30 C44 O29 122(3) . . ?
O30 C44 C43 122(3) . . ?
O29 C44 C43 116(3) . . ?
C46 C45 H45A 109.5 . . ?
C46 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C46 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
O16 C46 O15 124(4) . . ?
O16 C46 C45 116(4) . . ?
O15 C46 C45 117(4) . . ?
C48 C47 H47A 109.5 . . ?
C48 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C48 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
O11 C48 O12 127(2) . . ?
O11 C48 C47 123(2) . . ?
O12 C48 C47 110(2) . . ?
O11 C48 Eu3 29.8(11) . . ?
O12 C48 Eu3 98.9(14) . . ?
C47 C48 Eu3 151.4(18) . . ?
C50 C49 H49A 109.5 . . ?
C50 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C50 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
O18 C50 O17 125(2) . . ?
O18 C50 C49 120(2) . . ?
O17 C50 C49 115(2) . . ?
C52 C51 H51A 109.5 . . ?
C52 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C52 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
O19 C52 O20 119(3) . . ?
O19 C52 C51 118(3) . . ?
O20 C52 C51 121(3) . . ?
C54 C53 H53A 109.5 . . ?
C54 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C54 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
O13 C54 O14 129(3) . . ?
O13 C54 C53 112(3) . . ?
O14 C54 C53 119(3) . . ?
C44 O29 Zn2 130(2) . . ?
C44 O30 Eu2 142.8(18) . . ?
Zn2 O31 Eu1 113.1(7) . . ?
Zn2 O31 Eu3 108.9(6) . . ?
Eu1 O31 Eu3 118.0(6) . . ?
Zn2 O31 Eu2 110.9(6) . . ?
Eu1 O31 Eu2 103.3(5) . . ?
Eu3 O31 Eu2 101.8(5) . . ?

_diffrn_measured_fraction_theta_max 0.972
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.972
_refine_diff_density_max         1.933
_refine_diff_density_min         -1.317
_refine_diff_density_rms         0.334
_exptl_crystal_recrystallization_method 'Vapour deposition'
_chemical_properties_physical    Heat-sensitive
_exptl_crystal_preparation       Luminescent
