# Electronic Supplementary Material (ESI) for Chemical Science.
# 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).
# 
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# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
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data_lb204
_database_code_depnum_ccdc_archive 'CCDC 1578319'
_audit_update_record             
;
2018-09-16 deposited with the CCDC.
2018-12-17 downloaded from the CCDC.
;

_vrf_PLAT308_lb204               
;
PROBLEM: Single Bonded Metal Atom in Structure (Unusual) Eu2 Check
RESPONSE: This is an endohedral Eu atom.
;
_vrf_PLAT029_lb204               
;
PROBLEM: _diffrn_measured_fraction_theta_full value Low . 0.949 Why?
RESPONSE: Because of limited beamtime available, data was collected from 
only one crystal. The completeness of this data especially in the highest
 resolution shell was restrained by some shaded areas (cryo-system or the
 beamstop).
;
_vrf_PLAT088_lb204               
;
PROBLEM: Poor Data / Parameter Ratio .................... 7.65 Note
RESPONSE: Because of limited beamtime available, data was collected from 
only one crystal. The completeness of this data especially in the highest
 resolution shell was restrained by some shaded areas (cryo-system or the
 beamstop).
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        'Eu@C2(27)-C88 Ni(OEP)'
_chemical_name_common            'Eu@C2(27)-C88 Ni(OEP)'
_chemical_melting_point          ?
_chemical_formula_moiety         '2(C88 Eu), 3(C36 H44 N4 Ni), 4(C6 H6)'
_chemical_formula_sum            'C308 H156 Eu2 N12 Ni3'
_chemical_formula_weight         4504.49

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0027 0.0014 '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 0.0053 0.0028 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3436 0.9622 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1666 3.2045 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_H-M_alt        'C 2/m'
_space_group_name_Hall           '-C 2y'

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

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

_cell_length_a                   24.606(5)
_cell_length_b                   18.080(4)
_cell_length_c                   22.351(5)
_cell_angle_alpha                90
_cell_angle_beta                 101.478(2)
_cell_angle_gamma                90
_cell_volume                     9745(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9571
_cell_measurement_theta_min      2.2405
_cell_measurement_theta_max      24.991

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.535
_exptl_crystal_F_000             4596
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.290
_exptl_crystal_size_mid          0.270
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    0.788
_shelx_estimated_absorpt_T_min   0.804
_shelx_estimated_absorpt_T_max   0.858
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.6187
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   SADABS
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.6525
_diffrn_radiation_type           synchrotron
_diffrn_source                   'SSRF, Beamline B17B1'
_diffrn_measurement_device_type  'CCD MX-300'
_diffrn_measurement_method       'phi scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            80386
_diffrn_reflns_av_unetI/netI     0.0456
_diffrn_reflns_av_R_equivalents  0.0720
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         0.853
_diffrn_reflns_theta_max         25.037
_diffrn_reflns_theta_full        23.048
_diffrn_measured_fraction_theta_max 0.941
_diffrn_measured_fraction_theta_full 0.949
_diffrn_reflns_Laue_measured_fraction_max 0.941
_diffrn_reflns_Laue_measured_fraction_full 0.949
_diffrn_reflns_point_group_measured_fraction_max 0.941
_diffrn_reflns_point_group_measured_fraction_full 0.949
_reflns_number_total             10818
_reflns_number_gt                8685
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1514P)²+48.2651P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10818
_refine_ls_number_parameters     1409
_refine_ls_number_restraints     1912
_refine_ls_R_factor_all          0.1260
_refine_ls_R_factor_gt           0.1069
_refine_ls_wR_factor_ref         0.3042
_refine_ls_wR_factor_gt          0.2813
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_restrained_S_all      1.055
_refine_ls_shift/su_max          0.032
_refine_ls_shift/su_mean         0.002

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C81 C 0.5682(8) 0.500000 0.3229(10) 0.184(6) Uani 1 2 d DS TU P . .
C86 C 0.8728(7) 0.500000 0.2032(12) 0.158(5) Uani 1 2 d S TU P . .
C88 C 0.8421(7) 0.500000 0.3586(9) 0.142(6) Uani 1 2 d S TU P . .
C1 C 0.7990(9) 0.6194(12) 0.3837(12) 0.127(7) Uani 0.5 1 d D U P A -1
C2 C 0.5861(9) 0.6865(14) 0.1946(10) 0.174(8) Uani 0.5 1 d D U P A -1
C3 C 0.5647(13) 0.3877(15) 0.1591(10) 0.186(9) Uani 0.5 1 d D U P A -1
C4 C 0.6712(8) 0.6051(8) 0.0600(7) 0.098(5) Uani 0.5 1 d D U P A -1
C5 C 0.6863(14) 0.3733(14) 0.0809(10) 0.165(8) Uani 0.5 1 d D U P A -1
C6 C 0.8244(14) 0.4554(17) 0.0987(16) 0.163(7) Uani 0.5 1 d D U P A -1
C7 C 0.6027(14) 0.3827(14) 0.3312(11) 0.200(9) Uani 0.5 1 d D U P A -1
C8 C 0.6824(9) 0.2797(15) 0.1639(12) 0.176(9) Uani 0.5 1 d D U P A -1
C9 C 0.6353(10) 0.4042(14) 0.0880(9) 0.147(8) Uani 0.5 1 d D U P A -1
C10 C 0.6638(9) 0.5267(8) 0.0526(7) 0.111(6) Uani 0.5 1 d D U P A -1
C11 C 0.7563(9) 0.4436(10) 0.4229(13) 0.166(8) Uani 0.5 1 d D U P A -1
C12 C 0.8244(12) 0.5936(14) 0.1281(10) 0.163(7) Uani 0.5 1 d D U P A -1
C13 C 0.8583(12) 0.4480(15) 0.1541(13) 0.147(7) Uani 0.5 1 d D U P A -1
C14 C 0.7422(10) 0.6777(13) 0.1067(10) 0.147(6) Uani 0.5 1 d D U P A -1
C15 C 0.6509(10) 0.7020(12) 0.1301(8) 0.131(6) Uani 0.5 1 d D U P A -1
C16 C 0.6484(11) 0.3333(16) 0.3343(12) 0.198(9) Uani 0.5 1 d D U P A -1
C17 C 0.7268(10) 0.7218(15) 0.3238(13) 0.161(8) Uani 0.5 1 d D U P A -1
C18 C 0.6568(10) 0.4767(13) 0.4048(15) 0.173(8) Uani 0.5 1 d D U P A -1
C19 C 0.7802(10) 0.7189(11) 0.2380(11) 0.127(6) Uani 0.5 1 d D U P A -1
C20 C 0.7974(11) 0.6643(15) 0.1382(10) 0.143(7) Uani 0.5 1 d D U P A -1
C21 C 0.7637(11) 0.3057(15) 0.1389(10) 0.170(8) Uani 0.5 1 d D U P A -1
C22 C 0.8088(7) 0.5433(11) 0.3947(8) 0.125(6) Uani 0.5 1 d D U P A -1
C23 C 0.8411(12) 0.3702(15) 0.3229(11) 0.159(8) Uani 0.5 1 d D U P A -1
C24 C 0.8187(10) 0.2975(12) 0.2395(10) 0.157(8) Uani 0.5 1 d D U P A -1
C25 C 0.7084(9) 0.7206(14) 0.1382(10) 0.136(6) Uani 0.5 1 d D U P A -1
C26 C 0.7856(10) 0.3951(14) 0.3907(16) 0.145(8) Uani 0.5 1 d D U P A -1
C27 C 0.5610(9) 0.4648(14) 0.1515(10) 0.179(9) Uani 0.5 1 d D U P A -1
C28 C 0.6281(10) 0.2995(15) 0.1662(10) 0.163(8) Uani 0.5 1 d D U P A -1
C29 C 0.6998(9) 0.4219(13) 0.4145(13) 0.149(7) Uani 0.5 1 d D U P A -1
C30 C 0.6791(12) 0.7422(11) 0.2888(9) 0.162(8) Uani 0.5 1 d D U P A -1
C31 C 0.7770(11) 0.7070(15) 0.3009(11) 0.147(8) Uani 0.5 1 d D U P A -1
C32 C 0.7293(9) 0.7451(16) 0.1988(9) 0.128(6) Uani 0.5 1 d D U P A -1
C33 C 0.6823(9) 0.7529(11) 0.2271(9) 0.144(6) Uani 0.5 1 d D U P A -1
C34 C 0.5913(9) 0.6808(13) 0.2623(10) 0.164(7) Uani 0.5 1 d D U P A -1
C35 C 0.7062(11) 0.3117(15) 0.1185(11) 0.173(9) Uani 0.5 1 d D U P A -1
C36 C 0.6328(9) 0.6364(12) 0.0947(9) 0.125(6) Uani 0.5 1 d D U P A -1
C37 C 0.7294(9) 0.6208(11) 0.0634(10) 0.145(6) Uani 0.5 1 d D U P A -1
C38 C 0.5927(8) 0.5883(13) 0.1148(7) 0.127(6) Uani 0.5 1 d D U P A -1
C39 C 0.6963(10) 0.3566(13) 0.3803(11) 0.170(8) Uani 0.5 1 d D U P A -1
C40 C 0.5751(9) 0.3605(13) 0.2201(9) 0.191(8) Uani 0.5 1 d D U P A -1
C41 C 0.8163(10) 0.6523(15) 0.3308(13) 0.136(7) Uani 0.5 1 d D U P A -1
C42 C 0.8116(10) 0.6819(11) 0.2031(10) 0.132(6) Uani 0.5 1 d D U P A -1
C43 C 0.8062(11) 0.3101(13) 0.2977(11) 0.143(8) Uani 0.5 1 d D U P A -1
C44 C 0.7586(11) 0.2865(15) 0.3223(10) 0.154(8) Uani 0.5 1 d D U P A -1
C45 C 0.7122(11) 0.2647(11) 0.2745(11) 0.163(8) Uani 0.5 1 d D U P A -1
C46 C 0.7479(9) 0.6364(12) 0.4003(10) 0.155(7) Uani 0.5 1 d D U P A -1
C47 C 0.7662(9) 0.5183(9) 0.4225(9) 0.149(7) Uani 0.5 1 d D U P A -1
C48 C 0.6324(10) 0.6121(15) 0.3741(10) 0.138(6) Uani 0.5 1 d D U P A -1
C49 C 0.7500(11) 0.3323(9) 0.3726(9) 0.137(7) Uani 0.5 1 d D U P A -1
C50 C 0.6550(11) 0.6764(13) 0.3581(10) 0.156(7) Uani 0.5 1 d D U P A -1
C51 C 0.5654(17) 0.6098(18) 0.2738(10) 0.181(9) Uani 0.5 1 d D U P A -1
C52 C 0.5735(15) 0.6115(17) 0.1686(10) 0.173(8) Uani 0.5 1 d D U P A -1
C53 C 0.6088(10) 0.3632(13) 0.1298(9) 0.138(7) Uani 0.5 1 d D U P A -1
C54 C 0.6354(9) 0.7117(13) 0.3060(11) 0.161(7) Uani 0.5 1 d D U P A -1
C55 C 0.5847(11) 0.5789(18) 0.3339(11) 0.157(7) Uani 0.5 1 d D U P A -1
C56 C 0.6367(10) 0.7190(18) 0.1876(11) 0.162(7) Uani 0.5 1 d D U P A -1
C57 C 0.7232(11) 0.260(2) 0.2146(11) 0.182(9) Uani 0.5 1 d D U P A -1
C58 C 0.7733(10) 0.2712(14) 0.1955(11) 0.174(8) Uani 0.5 1 d D U P A -1
C59 C 0.7097(11) 0.6880(13) 0.3693(11) 0.164(8) Uani 0.5 1 d D U P A -1
C60 C 0.8272(12) 0.4213(15) 0.3602(12) 0.147(7) Uani 0.5 1 d . U P A -1
C61 C 0.6151(9) 0.3019(13) 0.2255(9) 0.192(9) Uani 0.5 1 d D U P A -1
C62 C 0.6567(11) 0.2933(15) 0.2791(11) 0.203(9) Uani 0.5 1 d D U P A -1
C63 C 0.8605(11) 0.5759(15) 0.1866(11) 0.151(7) Uani 0.5 1 d D U P A -1
C64 C 0.8438(11) 0.3756(13) 0.1608(10) 0.158(7) Uani 0.5 1 d D U P A -1
C65 C 0.8471(12) 0.6056(13) 0.2970(10) 0.155(8) Uani 0.5 1 d D U P A -1
C66 C 0.8608(9) 0.5299(12) 0.3114(12) 0.149(8) Uani 0.5 1 d D U P A -1
C67 C 0.6271(10) 0.4795(12) 0.0795(9) 0.150(8) Uani 0.5 1 d D U P A -1
C68 C 0.7580(10) 0.5529(14) 0.0570(12) 0.142(7) Uani 0.5 1 d D U P A -1
C69 C 0.7242(11) 0.4242(16) 0.0619(12) 0.165(8) Uani 0.5 1 d D U P A -1
C70 C 0.7240(9) 0.5722(13) 0.4196(14) 0.156(8) Uani 0.5 1 d D U P A -1
C71 C 0.6093(11) 0.4552(12) 0.3614(9) 0.173(8) Uani 0.5 1 d D U P A -1
C72 C 0.8124(13) 0.5320(16) 0.0872(14) 0.161(8) Uani 0.5 1 d D U P A -1
C73 C 0.5445(9) 0.5770(13) 0.2131(11) 0.170(8) Uani 0.5 1 d D U P A -1
C74 C 0.7815(11) 0.4075(15) 0.0783(12) 0.152(7) Uani 0.5 1 d D U P A -1
C75 C 0.5494(7) 0.4695(11) 0.2622(9) 0.152(7) Uani 0.5 1 d D U P A -1
C76 C 0.8644(11) 0.4033(14) 0.2746(11) 0.160(8) Uani 0.5 1 d D U P A -1
C77 C 0.8000(13) 0.3496(16) 0.1165(11) 0.167(8) Uani 0.5 1 d D U P A -1
C78 C 0.7165(10) 0.4952(16) 0.0458(7) 0.156(6) Uani 0.5 1 d D U P A -1
C79 C 0.6676(10) 0.5553(14) 0.4083(16) 0.165(8) Uani 0.5 1 d D U P A -1
C80 C 0.5637(16) 0.3920(13) 0.2734(10) 0.194(9) Uani 0.5 1 d D U P A -1
C82 C 0.8725(9) 0.4757(15) 0.2663(13) 0.161(8) Uani 0.5 1 d D U P A -1
C83 C 0.8511(13) 0.3564(13) 0.2234(9) 0.157(8) Uani 0.5 1 d D U P A -1
C84 C 0.8495(12) 0.6242(15) 0.2345(10) 0.143(7) Uani 0.5 1 d D U P A -1
C85 C 0.5863(9) 0.5097(15) 0.1094(10) 0.176(8) Uani 0.5 1 d D U P A -1
C87 C 0.5455(7) 0.4994(14) 0.2019(11) 0.188(7) Uani 0.5 1 d D U P A -1
Eu1 Eu 0.6943(3) 0.3941(2) 0.2207(2) 0.0652(15) Uani 0.056 1 d . . P A 2
Eu4 Eu 0.6951(3) 0.3935(3) 0.2626(4) 0.181(3) Uani 0.1222 1 d . . P A 2
Eu3 Eu 0.7597(4) 0.4555(5) 0.1903(4) 0.097(2) Uiso 0.0665 1 d . . P A 2
Eu2 Eu 0.7630(3) 0.500000 0.1733(4) 0.152(3) Uani 0.1423 2 d S T P A 2
Eu5 Eu 0.73942(16) 0.44320(19) 0.16986(12) 0.0680(8) Uani 0.1 1 d . . P A 2
Eu6 Eu 0.7430(5) 0.4065(4) 0.2040(6) 0.194(5) Uani 0.0842 1 d . . P A 2
C1S C 0.8446(11) 0.995(4) 0.4088(12) 0.114(9) Uiso 0.1861 1 d G U P B -3
H1S H 0.825296 0.993683 0.441607 0.137 Uiso 0.1861 1 calc R U P B -3
C2S C 0.9021(10) 0.998(4) 0.4206(11) 0.124(8) Uani 0.1861 1 d G U P B -3
H2S H 0.922230 0.999505 0.461572 0.148 Uiso 0.1861 1 calc R U P B -3
C3S C 0.9303(9) 1.000(4) 0.3726(14) 0.119(7) Uani 0.1861 1 d G U P B -3
H3S H 0.969677 1.002411 0.380671 0.143 Uiso 0.1861 1 calc R U P B -3
C4S C 0.9009(13) 0.998(5) 0.3126(12) 0.126(8) Uani 0.1861 1 d G U P B -3
H4S H 0.920190 0.999494 0.279803 0.151 Uiso 0.1861 1 calc R U P B -3
C5S C 0.8433(13) 0.995(4) 0.3008(10) 0.139(9) Uani 0.1861 1 d G U P B -3
H5S H 0.823256 0.993672 0.259836 0.167 Uiso 0.1861 1 calc R U P B -3
C6S C 0.8152(9) 0.993(3) 0.3488(13) 0.126(8) Uani 0.1861 1 d G U P B -3
H6S H 0.775808 0.990766 0.340737 0.151 Uiso 0.1861 1 calc R U P B -3
C10S C 0.6845(11) 0.9344(13) 0.1674(15) 0.107(6) Uani 0.31 1 d . U P C 4
H10S H 0.687684 0.889573 0.146180 0.129 Uiso 0.31 1 calc R U P C 4
C11S C 0.6748(10) 0.9341(13) 0.2243(15) 0.108(6) Uani 0.31 1 d . U P C 4
H11S H 0.669965 0.888225 0.243406 0.130 Uiso 0.31 1 calc R U P C 4
C12S C 0.6716(16) 1.000000 0.256(2) 0.110(9) Uani 0.31 2 d S TU P C 4
H12S H 0.667449 1.000000 0.297450 0.132 Uiso 0.31 2 calc R U P C 4
C13S C 0.690(2) 1.000000 0.141(3) 0.128(9) Uani 0.31 2 d S TU P C 4
H13Z H 0.697269 1.000000 0.101491 0.154 Uiso 0.31 2 calc R U P C 4
C18S C 0.7411(7) 0.9630(9) 0.2547(8) 0.122(5) Uani 0.523 1 d D U P D 5
H18S H 0.708346 0.936058 0.238307 0.147 Uiso 0.523 1 calc R U P D 5
C19S C 0.7901(8) 0.9265(9) 0.2791(10) 0.144(6) Uani 0.523 1 d D U P D 5
H19S H 0.792729 0.874792 0.272880 0.173 Uiso 0.523 1 calc R U P D 5
C20S C 0.8354(8) 0.9640(9) 0.3126(11) 0.157(7) Uani 0.523 1 d D U P D 5
H20S H 0.866040 0.937363 0.335179 0.188 Uiso 0.523 1 calc R U P D 5
C17S C 0.6781(11) 1.000000 0.0957(13) 0.142(7) Uani 0.5926 2 d DS TU P E 6
H17S H 0.717271 0.999999 0.099973 0.170 Uiso 0.5926 2 calc R U P E 6
C14S C 0.6469(9) 0.9357(8) 0.0922(8) 0.145(6) Uani 0.5926 1 d D U P E 6
H14S H 0.664765 0.889168 0.100563 0.175 Uiso 0.5926 1 calc R U P E 6
C15S C 0.5885(9) 0.9395(11) 0.0763(8) 0.171(8) Uani 0.5926 1 d D U P E 6
H15S H 0.570149 0.893474 0.077320 0.205 Uiso 0.5926 1 calc R U P E 6
C16S C 0.5530(13) 1.000000 0.0592(16) 0.195(12) Uani 0.5926 2 d DS TU P E 6
H16S H 0.514694 1.000001 0.040805 0.234 Uiso 0.5926 2 calc R U P E 6
C7S C 0.9987(16) 1.000000 0.4384(18) 0.147(10) Uani 0.4042 2 d DS TU P F 7
H7S H 0.998475 1.000000 0.395879 0.177 Uiso 0.4042 2 calc R U P F 7
C8S C 0.9486(11) 1.000000 0.4590(14) 0.136(8) Uani 0.4042 2 d DS TU P F 7
H8S H 0.913541 1.000000 0.431973 0.164 Uiso 0.4042 2 calc R U P F 7
C9S C 0.9543(14) 1.000000 0.5227(15) 0.145(11) Uani 0.4042 2 d DS TU P F 7
H9S H 0.921336 1.000000 0.538677 0.174 Uiso 0.4042 2 calc R U P F 7
C104 C 0.9388(3) 0.8067(3) 0.3033(3) 0.0732(15) Uani 1 1 d . . . . .
H10D H 0.920330 0.774874 0.269910 0.110 Uiso 1 1 calc R U . G 3
H10E H 0.944213 0.856051 0.287418 0.110 Uiso 1 1 calc R U . G 3
H10F H 0.915765 0.810408 0.334303 0.110 Uiso 1 1 calc R U . G 3
C105 C 0.93102(17) 0.6546(2) 0.46747(18) 0.0427(9) Uani 1 1 d . . . . .
C106 C 0.97414(17) 0.6547(2) 0.38872(17) 0.0408(8) Uani 1 1 d . . . . .
C108 C 1.00868(18) 0.5614(2) 0.33068(17) 0.0442(9) Uani 1 1 d . . . . .
C112 C 0.89869(17) 0.5616(2) 0.52710(16) 0.0409(8) Uani 1 1 d . . . . .
Ni2 Ni 0.95504(3) 0.500000 0.43014(3) 0.0361(2) Uani 1 2 d S T P . .
C89 C 0.4667(3) 0.6509(7) 0.0336(3) 0.112(3) Uani 1 1 d . . . H 2
C90 C 0.4307(4) 0.6906(6) 0.0675(3) 0.118(3) Uani 1 1 d . . . H 2
C91 C 0.4228(5) 0.7728(7) 0.0674(5) 0.165(6) Uani 1 1 d . . . H 2
H91A H 0.458506 0.797140 0.065572 0.198 Uiso 1 1 calc R U . H 2
H91B H 0.412051 0.787809 0.105962 0.198 Uiso 1 1 calc R U . H 2
C92 C 0.3788(6) 0.7991(6) 0.0138(5) 0.163(5) Uani 1 1 d . . . H 2
H92A H 0.391146 0.789064 -0.024477 0.244 Uiso 1 1 calc R U . H 2
H92B H 0.372932 0.852327 0.017594 0.244 Uiso 1 1 calc R U . H 2
H92C H 0.344000 0.772731 0.013824 0.244 Uiso 1 1 calc R U . H 2
C93 C 0.4071(3) 0.6368(6) 0.0973(3) 0.117(3) Uani 1 1 d . . . H 2
C94 C 0.3662(4) 0.6455(6) 0.1384(4) 0.141(4) Uani 1 1 d . . . H 2
H94A H 0.369371 0.695881 0.156058 0.169 Uiso 1 1 calc R U . H 2
H94B H 0.375054 0.609648 0.172491 0.169 Uiso 1 1 calc R U . H 2
C95 C 0.3060(4) 0.6326(6) 0.1036(5) 0.137(4) Uani 1 1 d . . . H 2
H95A H 0.297216 0.667844 0.069727 0.205 Uiso 1 1 calc R U . H 2
H95B H 0.280354 0.639677 0.131428 0.205 Uiso 1 1 calc R U . H 2
H95C H 0.302423 0.582014 0.087437 0.205 Uiso 1 1 calc R U . H 2
C96 C 0.4263(3) 0.5675(6) 0.0783(3) 0.107(3) Uani 1 1 d . . . H 2
C97 C 0.4101(5) 0.500000 0.0971(4) 0.105(4) Uani 1 2 d S T P H 2
H97 H 0.386011 0.499999 0.125455 0.126 Uiso 1 2 calc R U P H 2
C98 C 0.500000 0.6881(9) 0.000000 0.105(4) Uani 1 2 d S T P H 2
H98 H 0.500001 0.740610 0.000001 0.126 Uiso 1 2 calc R U P H 2
N1 N 0.4623(2) 0.5766(5) 0.0386(2) 0.097(2) Uani 1 1 d . . . H 2
Ni1 Ni 0.500000 0.500000 0.000000 0.0926(6) Uani 1 4 d S T P H 2
C1A C 0.8843(8) 0.6393(14) 0.5518(7) 0.058(6) Uani 0.238(4) 1 d . . P I 3
C2A C 0.9022(7) 0.6915(13) 0.5191(8) 0.056(5) Uani 0.238(4) 1 d . . P I 3
C3A C 0.8565(8) 0.6461(15) 0.6070(9) 0.063(6) Uani 0.238(4) 1 d . . P I 3
H3AA H 0.864902 0.694968 0.626615 0.076 Uiso 0.238(4) 1 calc R U P I 3
H3AB H 0.870855 0.607342 0.637397 0.076 Uiso 0.238(4) 1 calc R U P I 3
C14A C 0.7923(17) 0.637(3) 0.585(2) 0.068(12) Uani 0.238(4) 1 d . . P I 3
H14A H 0.773292 0.658794 0.615663 0.102 Uiso 0.238(4) 1 calc R U P I 3
H14B H 0.783019 0.584365 0.580492 0.102 Uiso 0.238(4) 1 calc R U P I 3
H14C H 0.780342 0.662288 0.546068 0.102 Uiso 0.238(4) 1 calc R U P I 3
C13A C 0.846(2) 0.802(2) 0.4757(19) 0.080(13) Uani 0.238(4) 1 d . . P I 3
H13A H 0.853382 0.798953 0.434192 0.121 Uiso 0.238(4) 1 calc R U P I 3
H13B H 0.838810 0.853038 0.485455 0.121 Uiso 0.238(4) 1 calc R U P I 3
H13C H 0.813773 0.771089 0.478359 0.121 Uiso 0.238(4) 1 calc R U P I 3
C4A C 0.8991(9) 0.7717(14) 0.5232(10) 0.065(6) Uani 0.238(4) 1 d . . P I 3
H4AA H 0.933235 0.794127 0.514043 0.078 Uiso 0.238(4) 1 calc R U P I 3
H4AB H 0.896203 0.786170 0.565183 0.078 Uiso 0.238(4) 1 calc R U P I 3
C5A C 0.9500(7) 0.6876(10) 0.4294(7) 0.043(4) Uani 0.238(4) 1 d . . P I 3
H5A H 0.947422 0.740048 0.428645 0.052 Uiso 0.238(4) 1 calc R U P I 3
C6A C 0.9935(7) 0.6918(11) 0.3379(8) 0.047(4) Uani 0.238(4) 1 d . . P I 3
C7A C 1.0122(6) 0.6388(10) 0.3056(7) 0.042(4) Uani 0.238(4) 1 d . . P I 3
C8A C 1.0382(8) 0.6478(12) 0.2491(8) 0.053(5) Uani 0.238(4) 1 d . . P I 3
H8AA H 1.062101 0.692342 0.254488 0.063 Uiso 0.238(4) 1 calc R U P I 3
H8AB H 1.062192 0.604534 0.246222 0.063 Uiso 0.238(4) 1 calc R U P I 3
C9A C 0.9951(10) 0.7734(14) 0.3321(11) 0.073(7) Uani 0.238(4) 1 d . . P I 3
H9AA H 1.022444 0.786702 0.306804 0.087 Uiso 0.238(4) 1 calc R U P I 3
H9AB H 1.007902 0.795271 0.373102 0.087 Uiso 0.238(4) 1 calc R U P I 3
C10A C 0.8865(10) 0.500000 0.5520(11) 0.050(6) Uani 0.238(4) 2 d S T P I 3
H10Z H 0.869559 0.499998 0.586679 0.060 Uiso 0.238(4) 2 calc R U P I 3
C12A C 0.9967(17) 0.655(3) 0.1904(13) 0.083(11) Uani 0.238(4) 1 d . . P I 3
H12A H 0.966437 0.687541 0.196552 0.124 Uiso 0.238(4) 1 calc R U P I 3
H12B H 0.981636 0.605968 0.177442 0.124 Uiso 0.238(4) 1 calc R U P I 3
H12C H 1.014721 0.675781 0.158936 0.124 Uiso 0.238(4) 1 calc R U P I 3
C11A C 1.0142(10) 0.500000 0.3070(8) 0.044(6) Uani 0.238(4) 2 d S T P I 3
H11Z H 1.023312 0.499999 0.267608 0.053 Uiso 0.238(4) 2 calc R U P I 3
N1A N 0.9255(5) 0.5784(9) 0.4800(5) 0.043(4) Uani 0.238(4) 1 d . . P I 3
N2A N 0.9760(5) 0.5780(8) 0.3803(5) 0.037(3) Uani 0.238(4) 1 d . . P I 3
C99 C 0.9380(2) 0.7317(3) 0.4500(3) 0.0438(12) Uani 0.762(4) 1 d . . P I 6
C100 C 0.9167(3) 0.7962(3) 0.4801(3) 0.0527(14) Uani 0.762(4) 1 d . . P I 6
H10G H 0.938187 0.840777 0.473594 0.063 Uiso 0.762(4) 1 calc R U P I 6
H10H H 0.922930 0.787006 0.524614 0.063 Uiso 0.762(4) 1 calc R U P I 6
C101 C 0.8550(5) 0.8116(8) 0.4564(6) 0.067(3) Uani 0.762(4) 1 d . . P I 6
H10A H 0.843665 0.854326 0.477853 0.101 Uiso 0.762(4) 1 calc R U P I 6
H10B H 0.848613 0.821979 0.412503 0.101 Uiso 0.762(4) 1 calc R U P I 6
H10C H 0.833343 0.768163 0.463565 0.101 Uiso 0.762(4) 1 calc R U P I 6
C102 C 0.9646(2) 0.7318(3) 0.4020(3) 0.0463(12) Uani 0.762(4) 1 d . . P I 6
C103 C 0.9794(3) 0.7969(3) 0.3662(3) 0.0537(14) Uani 0.762(4) 1 d . . P I 6
H10I H 1.017582 0.790217 0.359148 0.064 Uiso 0.762(4) 1 calc R U P I 6
H10J H 0.978964 0.842484 0.390701 0.064 Uiso 0.762(4) 1 calc R U P I 6
C107 C 1.0023(2) 0.6333(3) 0.3439(2) 0.0422(12) Uani 0.762(4) 1 d . . P I 6
H107 H 1.017582 0.670146 0.321800 0.051 Uiso 0.762(4) 1 calc R U P I 6
C109 C 1.0380(2) 0.5381(3) 0.2817(2) 0.0434(12) Uani 0.762(4) 1 d . . P I 6
C110 C 1.0596(3) 0.5901(3) 0.2399(3) 0.0532(14) Uani 0.762(4) 1 d . . P I 6
H11D H 1.086236 0.563335 0.219844 0.064 Uiso 0.762(4) 1 calc R U P I 6
H11E H 1.080008 0.630709 0.264361 0.064 Uiso 0.762(4) 1 calc R U P I 6
C111 C 1.0140(6) 0.6234(6) 0.1907(6) 0.072(3) Uani 0.762(4) 1 d . . P I 6
H11F H 1.030443 0.658036 0.165707 0.108 Uiso 0.762(4) 1 calc R U P I 6
H11G H 0.987261 0.649602 0.210189 0.108 Uiso 0.762(4) 1 calc R U P I 6
H11H H 0.994975 0.583707 0.164803 0.108 Uiso 0.762(4) 1 calc R U P I 6
C113 C 0.8686(2) 0.5373(3) 0.5729(2) 0.0432(12) Uani 0.762(4) 1 d . . P I 6
C114 C 0.8413(3) 0.5896(3) 0.6105(3) 0.0495(13) Uani 0.762(4) 1 d . . P I 6
H11I H 0.865418 0.633348 0.621415 0.059 Uiso 0.762(4) 1 calc R U P I 6
H11J H 0.837475 0.564662 0.648880 0.059 Uiso 0.762(4) 1 calc R U P I 6
C115 C 0.7842(6) 0.6153(7) 0.5770(7) 0.066(3) Uani 0.762(4) 1 d . . P I 6
H11A H 0.767080 0.645831 0.604427 0.100 Uiso 0.762(4) 1 calc R U P I 6
H11B H 0.760736 0.572069 0.564055 0.100 Uiso 0.762(4) 1 calc R U P I 6
H11C H 0.788113 0.644342 0.541135 0.100 Uiso 0.762(4) 1 calc R U P I 6
C116 C 0.9064(2) 0.6328(3) 0.5121(2) 0.0415(11) Uani 0.762(4) 1 d . . P I 6
H116 H 0.893166 0.670173 0.535367 0.050 Uiso 0.762(4) 1 calc R U P I 6
N2 N 0.9947(3) 0.500000 0.3606(3) 0.0373(12) Uani 0.762(4) 2 d S T P I 6
N3 N 0.9161(3) 0.500000 0.4981(3) 0.0388(13) Uani 0.762(4) 2 d S T P I 6
N4 N 0.95472(18) 0.6088(2) 0.42863(18) 0.0397(10) Uani 0.762(4) 1 d . . P I 6


_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
C81 C71 1.439(16) . ?
C81 C75 1.454(16) . ?
C81 C55 1.49(3) . ?
C86 C13 1.43(3) . ?
C86 C63 1.44(3) . ?
C86 C82 1.48(3) . ?
C86 Eu2 2.650(19) . ?
C86 Eu3 2.856(19) 6_565 ?
C86 Eu3 2.856(19) . ?
C88 C66 1.35(3) . ?
C88 C60 1.47(3) . ?
C88 C22 1.48(3) . ?
C1 C22 1.409(17) . ?
C1 C46 1.415(17) . ?
C1 C41 1.46(4) . ?
C2 C56 1.412(15) . ?
C2 C52 1.484(19) . ?
C2 C34 1.498(18) . ?
C3 C27 1.40(2) . ?
C3 C40 1.423(14) . ?
C3 C53 1.443(17) . ?
C4 C10 1.436(16) . ?
C4 C37 1.447(18) . ?
C4 C36 1.452(17) . ?
C5 C9 1.41(4) . ?
C5 C35 1.422(15) . ?
C5 C69 1.433(15) . ?
C6 C13 1.354(18) . ?
C6 C74 1.372(19) . ?
C6 C72 1.428(14) . ?
C6 C64 1.99(4) . ?
C7 C16 1.43(2) . ?
C7 C80 1.457(14) . ?
C7 C71 1.469(18) . ?
C8 C28 1.392(19) . ?
C8 C35 1.395(18) . ?
C8 C57 1.402(14) . ?
C9 C67 1.38(3) . ?
C9 C53 1.447(15) . ?
C10 C78 1.453(19) . ?
C10 C67 1.456(17) . ?
C11 C47 1.374(18) . ?
C11 C26 1.418(19) . ?
C11 C29 1.421(14) . ?
C12 C72 1.434(15) . ?
C12 C63 1.463(19) . ?
C12 C20 1.479(19) . ?
C13 C64 1.373(18) . ?
C14 C37 1.404(17) . ?
C14 C20 1.420(15) . ?
C14 C25 1.422(14) . ?
C15 C25 1.431(17) . ?
C15 C56 1.432(17) . ?
C15 C36 1.45(3) . ?
C16 C39 1.463(18) . ?
C16 C62 1.48(2) . ?
C17 C59 1.324(18) . ?
C17 C30 1.326(18) . ?
C17 C31 1.455(15) . ?
C18 C71 1.42(3) . ?
C18 C29 1.435(19) . ?
C18 C79 1.44(2) . ?
C19 C42 1.37(3) . ?
C19 C31 1.441(15) . ?
C19 C32 1.459(18) . ?
C20 C42 1.456(19) . ?
C21 C77 1.363(18) . ?
C21 C58 1.386(18) . ?
C21 C35 1.402(18) . ?
C22 C47 1.396(17) . ?
C23 C60 1.33(4) . ?
C23 C43 1.430(19) . ?
C23 C76 1.45(2) . ?
C24 C43 1.413(19) . ?
C24 C58 1.415(15) . ?
C24 C83 1.418(19) . ?
C25 C32 1.419(17) . ?
C26 C60 1.42(4) . ?
C26 C49 1.442(18) . ?
C27 C87 1.405(19) . ?
C27 C85 1.473(14) . ?
C28 C61 1.426(14) . ?
C28 C53 1.434(17) . ?
C29 C39 1.399(18) . ?
C30 C54 1.332(18) . ?
C30 C33 1.409(15) . ?
C31 C41 1.450(15) . ?
C32 C33 1.431(17) . ?
C33 C56 1.421(17) . ?
C34 C54 1.421(15) . ?
C34 C51 1.478(19) . ?
C36 C38 1.452(14) . ?
C37 C68 1.436(19) . ?
C38 C85 1.432(15) . ?
C38 C52 1.439(14) . ?
C39 C49 1.435(19) . ?
C40 C80 1.40(2) . ?
C40 C61 1.435(14) . ?
C41 C65 1.445(15) . ?
C42 C84 1.481(19) . ?
C43 C44 1.456(15) . ?
C44 C49 1.445(15) . ?
C44 C45 1.453(15) . ?
C45 C57 1.42(2) . ?
C45 C62 1.48(2) . ?
C46 C59 1.406(17) . ?
C46 C70 1.406(18) . ?
C47 C70 1.415(14) . ?
C48 C50 1.37(3) . ?
C48 C55 1.457(18) . ?
C48 C79 1.459(18) . ?
C50 C54 1.330(18) . ?
C50 C59 1.336(18) . ?
C51 C55 1.444(15) . ?
C51 C73 1.477(19) . ?
C52 C73 1.473(19) . ?
C57 C58 1.398(18) . ?
C61 C62 1.421(19) . ?
C63 C84 1.450(19) . ?
C64 C77 1.392(18) . ?
C64 C83 1.419(15) . ?
C65 C66 1.431(15) . ?
C65 C84 1.448(15) . ?
C66 C82 1.474(14) . ?
C67 C85 1.422(14) . ?
C68 C72 1.425(15) . ?
C68 C78 1.45(2) . ?
C69 C78 1.34(4) . ?
C69 C74 1.417(15) . ?
C70 C79 1.40(2) . ?
C73 C87 1.426(15) . ?
C74 C77 1.372(18) . ?
C75 C87 1.437(18) . ?
C75 C80 1.453(14) . ?
C76 C82 1.34(4) . ?
C76 C83 1.409(18) . ?
Eu1 Eu4 0.934(9) . ?
Eu1 Eu6 1.342(12) . ?
Eu1 Eu5 1.951(8) . ?
Eu1 Eu3 2.171(12) . ?
Eu1 Eu2 2.890(8) . ?
Eu1 Eu3 3.297(11) 6_565 ?
Eu1 Eu5 3.417(7) 6_565 ?
Eu1 Eu1 3.829(8) 6_565 ?
Eu1 Eu6 3.840(9) 6_565 ?
Eu1 Eu4 3.953(5) 6_565 ?
Eu4 Eu6 1.944(13) . ?
Eu4 Eu5 2.682(8) . ?
Eu4 Eu3 2.724(12) . ?
Eu4 Eu2 3.437(8) . ?
Eu4 Eu3 3.690(10) 6_565 ?
Eu4 Eu4 3.852(10) 6_565 ?
Eu4 Eu5 3.887(6) 6_565 ?
Eu4 Eu6 4.099(9) 6_565 ?
Eu3 Eu5 0.644(8) . ?
Eu3 Eu2 0.899(9) . ?
Eu3 Eu6 1.047(11) . ?
Eu3 Eu3 1.607(19) 6_565 ?
Eu3 Eu5 1.928(10) 6_565 ?
Eu3 Eu6 2.555(14) 6_565 ?
Eu2 Eu5 1.175(5) . ?
Eu2 Eu5 1.175(5) 6_565 ?
Eu2 Eu6 1.924(9) 6_565 ?
Eu2 Eu6 1.924(9) . ?
Eu5 Eu6 1.001(9) . ?
Eu5 Eu5 2.054(7) 6_565 ?
Eu5 Eu6 2.819(9) 6_565 ?
Eu6 Eu6 3.380(16) 6_565 ?
C1S C2S 1.3900 . ?
C1S C6S 1.3900 . ?
C1S H1S 0.9500 . ?
C2S C3S 1.3900 . ?
C2S H2S 0.9500 . ?
C3S C4S 1.3900 . ?
C3S H3S 0.9500 . ?
C4S C5S 1.3900 . ?
C4S H4S 0.9500 . ?
C5S C6S 1.3900 . ?
C5S H5S 0.9500 . ?
C6S H6S 0.9500 . ?
C10S C13S 1.34(3) . ?
C10S C11S 1.34(4) . ?
C10S H10S 0.9500 . ?
C11S C12S 1.40(3) . ?
C11S H11S 0.9500 . ?
C12S H12S 0.9500 . ?
C13S H13Z 0.9500 . ?
C18S C18S 1.34(3) 6_575 ?
C18S C19S 1.388(10) . ?
C18S H18S 0.9500 . ?
C19S C20S 1.389(10) . ?
C19S H19S 0.9500 . ?
C20S C20S 1.30(3) 6_575 ?
C20S H20S 0.9500 . ?
C17S C14S 1.387(16) . ?
C17S C14S 1.387(16) 6_575 ?
C17S H17S 0.9500 . ?
C14S C15S 1.411(16) . ?
C14S H14S 0.9500 . ?
C15S C16S 1.404(17) . ?
C15S H15S 0.9500 . ?
C16S H16S 0.9500 . ?
C7S C9S 1.30(5) 5_776 ?
C7S C8S 1.399(10) . ?
C7S H7S 0.9500 . ?
C8S C9S 1.403(11) . ?
C8S H8S 0.9500 . ?
C9S H9S 0.9500 . ?
C104 C9A 1.53(3) . ?
C104 C103 1.565(8) . ?
C104 H10D 0.9800 . ?
C104 H10E 0.9800 . ?
C104 H10F 0.9800 . ?
C105 C5A 1.206(16) . ?
C105 C116 1.324(7) . ?
C105 N4 1.408(6) . ?
C105 N1A 1.419(17) . ?
C105 C99 1.467(6) . ?
C105 C2A 1.614(17) . ?
C106 C5A 1.323(17) . ?
C106 N4 1.372(6) . ?
C106 C107 1.383(7) . ?
C106 N2A 1.402(15) . ?
C106 C102 1.453(6) . ?
C106 C6A 1.476(19) . ?
C108 C11A 1.250(9) . ?
C108 C107 1.348(7) . ?
C108 N2 1.375(5) . ?
C108 C109 1.486(7) . ?
C108 C7A 1.515(18) . ?
C108 N2A 1.524(12) . ?
C112 C10A 1.306(11) . ?
C112 C116 1.354(7) . ?
C112 N1A 1.383(12) . ?
C112 N3 1.397(5) . ?
C112 C113 1.446(7) . ?
C112 C1A 1.58(2) . ?
Ni2 N2A 1.930(13) 6_565 ?
Ni2 N2A 1.930(13) . ?
Ni2 N3 1.952(6) . ?
Ni2 N4 1.967(4) 6_565 ?
Ni2 N4 1.967(4) . ?
Ni2 N2 1.993(6) . ?
Ni2 N1A 2.025(14) 6_565 ?
Ni2 N1A 2.025(14) . ?
C89 N1 1.354(12) . ?
C89 C98 1.391(11) . ?
C89 C90 1.464(12) . ?
C90 C93 1.372(13) . ?
C90 C91 1.498(16) . ?
C91 C92 1.522(18) . ?
C91 H91A 0.9900 . ?
C91 H91B 0.9900 . ?
C92 H92A 0.9800 . ?
C92 H92B 0.9800 . ?
C92 H92C 0.9800 . ?
C93 C96 1.433(14) . ?
C93 C94 1.499(11) . ?
C94 C95 1.547(14) . ?
C94 H94A 0.9900 . ?
C94 H94B 0.9900 . ?
C95 H95A 0.9800 . ?
C95 H95B 0.9800 . ?
C95 H95C 0.9800 . ?
C96 C97 1.375(10) . ?
C96 N1 1.382(9) . ?
C97 H97 0.9500 . ?
C98 H98 0.9500 . ?
N1 Ni1 1.960(7) . ?
C1A C2A 1.32(3) . ?
C1A C3A 1.53(2) . ?
C2A C4A 1.46(3) . ?
C3A C14A 1.57(4) . ?
C3A H3AA 0.9900 . ?
C3A H3AB 0.9900 . ?
C14A H14A 0.9800 . ?
C14A H14B 0.9800 . ?
C14A H14C 0.9800 . ?
C13A C4A 1.60(6) . ?
C13A H13A 0.9800 . ?
C13A H13B 0.9800 . ?
C13A H13C 0.9800 . ?
C4A H4AA 0.9900 . ?
C4A H4AB 0.9900 . ?
C5A H5A 0.9500 . ?
C6A C7A 1.33(2) . ?
C6A C9A 1.48(3) . ?
C7A C8A 1.53(2) . ?
C8A C12A 1.50(4) . ?
C8A H8AA 0.9900 . ?
C8A H8AB 0.9900 . ?
C9A H9AA 0.9900 . ?
C9A H9AB 0.9900 . ?
C10A H10Z 0.9500 . ?
C12A H12A 0.9800 . ?
C12A H12B 0.9800 . ?
C12A H12C 0.9800 . ?
C11A H11Z 0.9500 . ?
C99 C102 1.363(8) . ?
C99 C100 1.493(8) . ?
C100 C101 1.529(14) . ?
C100 H10G 0.9900 . ?
C100 H10H 0.9900 . ?
C101 H10A 0.9800 . ?
C101 H10B 0.9800 . ?
C101 H10C 0.9800 . ?
C102 C103 1.508(8) . ?
C103 H10I 0.9900 . ?
C103 H10J 0.9900 . ?
C107 H107 0.9500 . ?
C109 C109 1.377(10) 6_565 ?
C109 C110 1.497(7) . ?
C110 C111 1.529(12) . ?
C110 H11D 0.9900 . ?
C110 H11E 0.9900 . ?
C111 H11F 0.9800 . ?
C111 H11G 0.9800 . ?
C111 H11H 0.9800 . ?
C113 C113 1.348(11) 6_565 ?
C113 C114 1.509(8) . ?
C114 C115 1.526(16) . ?
C114 H11I 0.9900 . ?
C114 H11J 0.9900 . ?
C115 H11A 0.9800 . ?
C115 H11B 0.9800 . ?
C115 H11C 0.9800 . ?
C116 H116 0.9500 . ?

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
C71 C81 C75 113.6(12) . . ?
C71 C81 C55 107.7(18) . . ?
C75 C81 C55 122.8(18) . . ?
C13 C86 C63 115(2) . . ?
C13 C86 C82 119.1(16) . . ?
C63 C86 C82 119.3(19) . . ?
C13 C86 Eu3 91.0(13) . 6_565 ?
C63 C86 Eu3 63.6(13) . 6_565 ?
C82 C86 Eu3 89.4(11) . 6_565 ?
Eu2 C86 Eu3 18.3(2) . . ?
Eu3 C86 Eu3 32.7(4) 6_565 . ?
C66 C88 C60 122(2) . . ?
C66 C88 C22 121.8(12) . . ?
C60 C88 C22 109(2) . . ?
C22 C1 C46 107.2(13) . . ?
C22 C1 C41 118.2(19) . . ?
C46 C1 C41 123(2) . . ?
C56 C2 C52 117(2) . . ?
C56 C2 C34 104(2) . . ?
C52 C2 C34 107.5(12) . . ?
C27 C3 C40 117(2) . . ?
C27 C3 C53 107(3) . . ?
C40 C3 C53 108.7(13) . . ?
C10 C4 C37 107.6(11) . . ?
C10 C4 C36 111.4(16) . . ?
C37 C4 C36 129.7(18) . . ?
C9 C5 C35 117(3) . . ?
C9 C5 C69 115(2) . . ?
C35 C5 C69 121(3) . . ?
C13 C6 C74 122(3) . . ?
C13 C6 C72 109(3) . . ?
C74 C6 C72 116(3) . . ?
C13 C6 C64 43.4(12) . . ?
C74 C6 C64 80.6(18) . . ?
C72 C6 C64 147(4) . . ?
C16 C7 C80 119(2) . . ?
C16 C7 C71 121(3) . . ?
C80 C7 C71 107.3(13) . . ?
C28 C8 C35 118(2) . . ?
C28 C8 C57 125(2) . . ?
C35 C8 C57 110.8(13) . . ?
C67 C9 C5 119(2) . . ?
C67 C9 C53 121(3) . . ?
C5 C9 C53 113(2) . . ?
C4 C10 C78 107.7(12) . . ?
C4 C10 C67 127.4(15) . . ?
C78 C10 C67 116.9(17) . . ?
C47 C11 C26 120(2) . . ?
C47 C11 C29 116.1(19) . . ?
C26 C11 C29 110.2(13) . . ?
C72 C12 C63 114(2) . . ?
C72 C12 C20 137(2) . . ?
C63 C12 C20 105.3(12) . . ?
C6 C13 C64 94(2) . . ?
C6 C13 C86 130(3) . . ?
C64 C13 C86 125(2) . . ?
C37 C14 C20 106(2) . . ?
C37 C14 C25 132(2) . . ?
C20 C14 C25 116(2) . . ?
C25 C15 C56 104.4(12) . . ?
C25 C15 C36 117(2) . . ?
C56 C15 C36 124(2) . . ?
C7 C16 C39 112(3) . . ?
C7 C16 C62 120.3(18) . . ?
C39 C16 C62 120(2) . . ?
C59 C17 C30 101.7(13) . . ?
C59 C17 C31 127(3) . . ?
C30 C17 C31 124(2) . . ?
C71 C18 C29 113(2) . . ?
C71 C18 C79 115(2) . . ?
C29 C18 C79 123(2) . . ?
C42 C19 C31 129(2) . . ?
C42 C19 C32 109(2) . . ?
C31 C19 C32 115(2) . . ?
C14 C20 C42 118(2) . . ?
C14 C20 C12 119(2) . . ?
C42 C20 C12 108.4(12) . . ?
C77 C21 C58 126(2) . . ?
C77 C21 C35 122(3) . . ?
C58 C21 C35 108.1(13) . . ?
C47 C22 C1 106.1(12) . . ?
C47 C22 C88 128.1(18) . . ?
C1 C22 C88 120.9(18) . . ?
C60 C23 C43 124(3) . . ?
C60 C23 C76 112(3) . . ?
C43 C23 C76 108.3(12) . . ?
C43 C24 C58 114(2) . . ?
C43 C24 C83 110.4(12) . . ?
C58 C24 C83 119(2) . . ?
C32 C25 C14 120(2) . . ?
C32 C25 C15 110.8(12) . . ?
C14 C25 C15 118.0(19) . . ?
C11 C26 C60 122(2) . . ?
C11 C26 C49 106.7(14) . . ?
C60 C26 C49 126(2) . . ?
C3 C27 C87 111.6(19) . . ?
C3 C27 C85 127(2) . . ?
C87 C27 C85 119(2) . . ?
C8 C28 C61 115.9(17) . . ?
C8 C28 C53 113(2) . . ?
C61 C28 C53 113.1(13) . . ?
C39 C29 C11 105.0(13) . . ?
C39 C29 C18 122(2) . . ?
C11 C29 C18 120.1(19) . . ?
C17 C30 C54 112.6(13) . . ?
C17 C30 C33 114(2) . . ?
C54 C30 C33 123(2) . . ?
C19 C31 C41 113(2) . . ?
C19 C31 C17 122(2) . . ?
C41 C31 C17 120(2) . . ?
C25 C32 C33 106.4(12) . . ?
C25 C32 C19 125(2) . . ?
C33 C32 C19 116(2) . . ?
C30 C33 C56 111(2) . . ?
C30 C33 C32 129(2) . . ?
C56 C33 C32 106.9(12) . . ?
C54 C34 C51 121(2) . . ?
C54 C34 C2 125(2) . . ?
C51 C34 C2 106.4(12) . . ?
C8 C35 C21 105.9(13) . . ?
C8 C35 C5 128(3) . . ?
C21 C35 C5 117(3) . . ?
C15 C36 C4 116.7(19) . . ?
C15 C36 C38 118.4(17) . . ?
C4 C36 C38 119.2(19) . . ?
C14 C37 C68 130(2) . . ?
C14 C37 C4 105.3(19) . . ?
C68 C37 C4 109.1(12) . . ?
C85 C38 C52 108(2) . . ?
C85 C38 C36 130(2) . . ?
C52 C38 C36 116(2) . . ?
C29 C39 C49 111.4(13) . . ?
C29 C39 C16 125(2) . . ?
C49 C39 C16 117(2) . . ?
C80 C40 C3 130.3(18) . . ?
C80 C40 C61 118.6(17) . . ?
C3 C40 C61 109.0(12) . . ?
C65 C41 C31 122(3) . . ?
C65 C41 C1 117(2) . . ?
C31 C41 C1 112(2) . . ?
C19 C42 C20 128(2) . . ?
C19 C42 C84 116(2) . . ?
C20 C42 C84 108.8(12) . . ?
C24 C43 C23 105.2(13) . . ?
C24 C43 C44 130(2) . . ?
C23 C43 C44 123(2) . . ?
C49 C44 C45 121(2) . . ?
C49 C44 C43 112(2) . . ?
C45 C44 C43 112(2) . . ?
C57 C45 C44 116(2) . . ?
C57 C45 C62 115.8(18) . . ?
C44 C45 C62 117(2) . . ?
C59 C46 C70 115(2) . . ?
C59 C46 C1 124(2) . . ?
C70 C46 C1 110.4(13) . . ?
C11 C47 C22 118(2) . . ?
C11 C47 C70 123.2(18) . . ?
C22 C47 C70 111.4(12) . . ?
C50 C48 C55 121(2) . . ?
C50 C48 C79 120(2) . . ?
C55 C48 C79 111(2) . . ?
C39 C49 C26 104.4(12) . . ?
C39 C49 C44 123(2) . . ?
C26 C49 C44 120(2) . . ?
C54 C50 C59 105.4(13) . . ?
C54 C50 C48 123(2) . . ?
C59 C50 C48 122(2) . . ?
C55 C51 C73 134(3) . . ?
C55 C51 C34 115(3) . . ?
C73 C51 C34 105.8(12) . . ?
C38 C52 C73 136(2) . . ?
C38 C52 C2 121(2) . . ?
C73 C52 C2 102.4(12) . . ?
C28 C53 C3 100.6(12) . . ?
C28 C53 C9 129(2) . . ?
C3 C53 C9 128(2) . . ?
C50 C54 C30 106.1(13) . . ?
C50 C54 C34 120(2) . . ?
C30 C54 C34 121(2) . . ?
C51 C55 C48 119(3) . . ?
C51 C55 C81 101(2) . . ?
C48 C55 C81 131(2) . . ?
C2 C56 C33 136(2) . . ?
C2 C56 C15 113(2) . . ?
C33 C56 C15 110.3(12) . . ?
C58 C57 C8 104.5(12) . . ?
C58 C57 C45 129(3) . . ?
C8 C57 C45 121(2) . . ?
C21 C58 C57 109.9(13) . . ?
C21 C58 C24 117(2) . . ?
C57 C58 C24 117(3) . . ?
C17 C59 C50 113.0(14) . . ?
C17 C59 C46 114(3) . . ?
C50 C59 C46 123(3) . . ?
C23 C60 C26 112(3) . . ?
C23 C60 C88 124(3) . . ?
C26 C60 C88 123(3) . . ?
C62 C61 C28 121.6(18) . . ?
C62 C61 C40 121.3(19) . . ?
C28 C61 C40 102.7(12) . . ?
C61 C62 C16 117.0(18) . . ?
C61 C62 C45 119.9(18) . . ?
C16 C62 C45 121(2) . . ?
C86 C63 C84 116(2) . . ?
C86 C63 C12 120(2) . . ?
C84 C63 C12 111.0(13) . . ?
C13 C64 C77 115(2) . . ?
C13 C64 C83 111(2) . . ?
C77 C64 C83 123(2) . . ?
C13 C64 C6 42.7(12) . . ?
C77 C64 C6 72.9(16) . . ?
C83 C64 C6 146(2) . . ?
C66 C65 C41 124(2) . . ?
C66 C65 C84 113(2) . . ?
C41 C65 C84 120(2) . . ?
C88 C66 C65 117(2) . . ?
C88 C66 C82 114(2) . . ?
C65 C66 C82 124(2) . . ?
C9 C67 C85 114(2) . . ?
C9 C67 C10 123(2) . . ?
C85 C67 C10 121.5(19) . . ?
C72 C68 C37 128(2) . . ?
C72 C68 C78 117(2) . . ?
C37 C68 C78 106.9(13) . . ?
C78 C69 C74 111(2) . . ?
C78 C69 C5 129(3) . . ?
C74 C69 C5 117(3) . . ?
C79 C70 C46 126(2) . . ?
C79 C70 C47 123.5(18) . . ?
C46 C70 C47 103.6(12) . . ?
C18 C71 C81 130(2) . . ?
C18 C71 C7 124(2) . . ?
C81 C71 C7 103.1(12) . . ?
C68 C72 C6 119(3) . . ?
C68 C72 C12 99(2) . . ?
C6 C72 C12 129(3) . . ?
C87 C73 C52 106(2) . . ?
C87 C73 C51 123(2) . . ?
C52 C73 C51 108.9(14) . . ?
C6 C74 C77 98(2) . . ?
C6 C74 C69 128(3) . . ?
C77 C74 C69 121(3) . . ?
C87 C75 C80 119.6(19) . . ?
C87 C75 C81 133.0(19) . . ?
C80 C75 C81 100.6(11) . . ?
C82 C76 C83 119(2) . . ?
C82 C76 C23 127(3) . . ?
C83 C76 C23 107.1(13) . . ?
C21 C77 C74 121(3) . . ?
C21 C77 C64 114(2) . . ?
C74 C77 C64 107(2) . . ?
C69 C78 C68 126(2) . . ?
C69 C78 C10 115(2) . . ?
C68 C78 C10 108.3(13) . . ?
C70 C79 C18 113(2) . . ?
C70 C79 C48 114(2) . . ?
C18 C79 C48 126(3) . . ?
C40 C80 C75 109(2) . . ?
C40 C80 C7 120(2) . . ?
C75 C80 C7 111.0(14) . . ?
C76 C82 C66 120(3) . . ?
C76 C82 C86 116.8(19) . . ?
C66 C82 C86 119(2) . . ?
C76 C83 C24 107.3(13) . . ?
C76 C83 C64 128(2) . . ?
C24 C83 C64 118(2) . . ?
C65 C84 C63 128(2) . . ?
C65 C84 C42 119(2) . . ?
C63 C84 C42 105.5(12) . . ?
C67 C85 C38 110(2) . . ?
C67 C85 C27 121(2) . . ?
C38 C85 C27 123(2) . . ?
C27 C87 C73 127(2) . . ?
C27 C87 C75 127.2(19) . . ?
C73 C87 C75 102(2) . . ?
Eu4 Eu1 Eu6 116.2(9) . . ?
Eu4 Eu1 Eu5 133.7(6) . . ?
Eu6 Eu1 Eu5 28.4(5) . . ?
Eu4 Eu1 Eu3 117.0(6) . . ?
Eu6 Eu1 Eu3 21.6(4) . . ?
Eu5 Eu1 Eu3 16.9(2) . . ?
Eu4 Eu1 Eu2 118.7(6) . . ?
Eu6 Eu1 Eu2 33.7(4) . . ?
Eu5 Eu1 Eu2 17.11(16) . . ?
Eu3 Eu1 Eu2 12.4(3) . . ?
Eu1 Eu4 Eu6 38.3(7) . . ?
Eu1 Eu4 Eu5 31.8(5) . . ?
Eu6 Eu4 Eu5 17.0(3) . . ?
Eu1 Eu4 Eu3 45.3(5) . . ?
Eu6 Eu4 Eu3 17.5(3) . . ?
Eu5 Eu4 Eu3 13.66(17) . . ?
Eu1 Eu4 Eu2 47.5(5) . . ?
Eu6 Eu4 Eu2 27.2(2) . . ?
Eu5 Eu4 Eu2 17.05(14) . . ?
Eu3 Eu4 Eu2 10.3(2) . . ?
Eu5 Eu3 Eu2 97.7(13) . . ?
Eu5 Eu3 Eu6 67.8(12) . . ?
Eu2 Eu3 Eu6 162.5(15) . . ?
Eu5 Eu3 Eu1 61.9(9) . . ?
Eu2 Eu3 Eu1 136.5(9) . . ?
Eu6 Eu3 Eu1 28.2(6) . . ?
Eu3 Eu3 Eu1 120.8(3) 6_565 . ?
Eu5 Eu3 Eu1 112.8(5) 6_565 . ?
Eu5 Eu3 Eu4 79.5(9) . . ?
Eu2 Eu3 Eu4 137.0(8) . . ?
Eu6 Eu3 Eu4 33.8(6) . . ?
Eu3 Eu3 Eu4 114.3(2) 6_565 . ?
Eu5 Eu3 Eu4 112.2(4) 6_565 . ?
Eu1 Eu3 Eu4 17.8(2) . . ?
Eu6 Eu3 Eu4 101.8(4) 6_565 . ?
Eu5 Eu3 C86 140.3(12) . . ?
Eu2 Eu3 C86 67.8(9) . . ?
Eu6 Eu3 C86 129.6(10) . . ?
Eu3 Eu3 C86 73.7(2) 6_565 . ?
Eu5 Eu3 C86 87.6(4) 6_565 . ?
Eu1 Eu3 C86 151.6(6) . . ?
Eu6 Eu3 C86 83.6(4) 6_565 . ?
Eu4 Eu3 C86 136.7(6) . . ?
C86 Eu3 Eu1 104.6(3) . 6_565 ?
C86 Eu3 Eu4 104.1(4) . 6_565 ?
Eu3 Eu2 Eu3 126.7(14) 6_565 . ?
Eu3 Eu2 Eu5 136.3(8) 6_565 . ?
Eu3 Eu2 Eu5 32.9(6) . . ?
Eu3 Eu2 Eu6 125.7(8) 6_565 . ?
Eu3 Eu2 Eu6 9.4(8) . . ?
Eu5 Eu2 Eu6 25.5(5) . . ?
Eu5 Eu2 Eu6 129.3(5) 6_565 . ?
Eu6 Eu2 Eu6 122.9(6) 6_565 . ?
Eu3 Eu2 C86 93.9(9) 6_565 . ?
Eu3 Eu2 C86 93.9(9) . . ?
Eu5 Eu2 C86 118.8(4) . . ?
Eu5 Eu2 C86 118.8(4) 6_565 . ?
Eu6 Eu2 C86 103.3(5) 6_565 . ?
Eu6 Eu2 C86 103.3(5) . . ?
C86 Eu2 Eu1 123.3(4) . 6_565 ?
Eu3 Eu2 Eu1 109.2(7) 6_565 . ?
Eu3 Eu2 Eu1 31.2(7) . . ?
Eu5 Eu2 Eu1 29.3(3) . . ?
Eu5 Eu2 Eu1 106.6(4) 6_565 . ?
Eu6 Eu2 Eu1 104.0(4) 6_565 . ?
Eu6 Eu2 Eu1 22.8(3) . . ?
C86 Eu2 Eu1 123.3(4) . . ?
Eu1 Eu2 Eu1 83.0(3) 6_565 . ?
C86 Eu2 Eu4 116.3(5) . 6_565 ?
Eu3 Eu2 Eu4 99.2(7) 6_565 . ?
Eu3 Eu2 Eu4 32.7(6) . . ?
Eu5 Eu2 Eu4 42.0(3) . . ?
Eu5 Eu2 Eu4 103.7(4) 6_565 . ?
Eu6 Eu2 Eu4 95.6(4) 6_565 . ?
Eu6 Eu2 Eu4 27.5(3) . . ?
C86 Eu2 Eu4 116.3(5) . . ?
Eu1 Eu2 Eu4 76.78(19) 6_565 . ?
Eu1 Eu2 Eu4 13.78(15) . . ?
Eu4 Eu2 Eu4 68.2(3) 6_565 . ?
Eu3 Eu5 Eu6 75.6(11) . . ?
Eu3 Eu5 Eu2 49.3(10) . . ?
Eu6 Eu5 Eu2 124.1(10) . . ?
Eu3 Eu5 Eu1 101.2(9) . . ?
Eu6 Eu5 Eu1 39.7(7) . . ?
Eu2 Eu5 Eu1 133.6(4) . . ?
Eu3 Eu5 Eu1 116.4(4) 6_565 . ?
Eu3 Eu5 Eu4 86.9(9) . . ?
Eu6 Eu5 Eu4 34.7(6) . . ?
Eu2 Eu5 Eu4 120.9(4) . . ?
Eu3 Eu5 Eu4 105.1(4) 6_565 . ?
Eu1 Eu5 Eu4 14.6(2) . . ?
Eu5 Eu5 Eu4 109.59(17) 6_565 . ?
Eu5 Eu6 Eu3 36.6(5) . . ?
Eu5 Eu6 Eu1 111.9(11) . . ?
Eu3 Eu6 Eu1 130.2(9) . . ?
Eu5 Eu6 Eu2 30.4(5) . . ?
Eu3 Eu6 Eu2 8.1(7) . . ?
Eu1 Eu6 Eu2 123.5(6) . . ?
Eu5 Eu6 Eu4 128.3(8) . . ?
Eu3 Eu6 Eu4 128.7(9) . . ?
Eu1 Eu6 Eu4 25.5(3) . . ?
Eu2 Eu6 Eu4 125.4(5) . . ?
C2S C1S C6S 120.0 . . ?
C2S C1S H1S 120.0 . . ?
C6S C1S H1S 120.0 . . ?
C3S C2S C1S 120.0 . . ?
C3S C2S H2S 120.0 . . ?
C1S C2S H2S 120.0 . . ?
C2S C3S C4S 120.0 . . ?
C2S C3S H3S 120.0 . . ?
C4S C3S H3S 120.0 . . ?
C3S C4S C5S 120.0 . . ?
C3S C4S H4S 120.0 . . ?
C5S C4S H4S 120.0 . . ?
C6S C5S C4S 120.0 . . ?
C6S C5S H5S 120.0 . . ?
C4S C5S H5S 120.0 . . ?
C5S C6S C1S 120.0 . . ?
C5S C6S H6S 120.0 . . ?
C1S C6S H6S 120.0 . . ?
C13S C10S C11S 118(3) . . ?
C13S C10S H10S 121.1 . . ?
C11S C10S H10S 121.2 . . ?
C10S C11S C12S 121(3) . . ?
C10S C11S H11S 119.5 . . ?
C12S C11S H11S 119.4 . . ?
C11S C12S H12S 121.5 . . ?
C11S C12S H12S 121.5 6_575 . ?
C10S C13S H13Z 117.4 . . ?
C10S C13S H13Z 117.4 6_575 . ?
C18S C18S C19S 118.3(9) 6_575 . ?
C18S C18S H18S 120.8 6_575 . ?
C19S C18S H18S 120.8 . . ?
C18S C19S C20S 121.5(14) . . ?
C18S C19S H19S 119.2 . . ?
C20S C19S H19S 119.2 . . ?
C20S C20S C19S 119.2(9) 6_575 . ?
C20S C20S H20S 120.4 6_575 . ?
C19S C20S H20S 120.4 . . ?
C14S C17S H17S 123.0 . . ?
C14S C17S H17S 123.0 6_575 . ?
C17S C14S C15S 119.8(17) . . ?
C17S C14S H14S 120.1 . . ?
C15S C14S H14S 120.1 . . ?
C16S C15S C14S 131(2) . . ?
C16S C15S H15S 114.6 . . ?
C14S C15S H15S 114.6 . . ?
C15S C16S C15S 102(3) 6_575 . ?
C15S C16S H16S 128.9 6_575 . ?
C15S C16S H16S 128.9 . . ?
C9S C7S C8S 120(3) 5_776 . ?
C9S C7S H7S 119.8 5_776 . ?
C8S C7S H7S 119.9 . . ?
C7S C8S C9S 114.6(16) . . ?
C7S C8S H8S 122.7 . . ?
C9S C8S H8S 122.7 . . ?
C7S C9S C8S 125(3) 5_776 . ?
C7S C9S H9S 117.5 5_776 . ?
C8S C9S H9S 117.4 . . ?
C9A C104 H10D 109.5 . . ?
C9A C104 H10E 109.5 . . ?
H10D C104 H10E 109.5 . . ?
C9A C104 H10F 109.5 . . ?
H10D C104 H10F 109.5 . . ?
H10E C104 H10F 109.5 . . ?
C116 C105 N4 126.6(4) . . ?
C5A C105 N1A 133.3(10) . . ?
C116 C105 C99 125.4(4) . . ?
N4 C105 C99 108.1(4) . . ?
C5A C105 C2A 125.9(13) . . ?
N1A C105 C2A 100.8(10) . . ?
N4 C106 C107 126.2(4) . . ?
C5A C106 N2A 124.6(9) . . ?
N4 C106 C102 110.9(4) . . ?
C107 C106 C102 122.8(4) . . ?
C5A C106 C6A 125.7(11) . . ?
N2A C106 C6A 108.8(9) . . ?
C107 C108 N2 128.4(4) . . ?
C107 C108 C109 122.0(4) . . ?
N2 C108 C109 109.5(4) . . ?
C11A C108 C7A 130.1(9) . . ?
C11A C108 N2A 126.9(10) . . ?
C7A C108 N2A 99.5(8) . . ?
C10A C112 N1A 134.1(11) . . ?
C116 C112 N3 124.9(4) . . ?
C116 C112 C113 125.6(4) . . ?
N3 C112 C113 109.4(4) . . ?
C10A C112 C1A 121.6(10) . . ?
N1A C112 C1A 104.2(10) . . ?
N2A Ni2 N2A 93.9(8) 6_565 . ?
N2A Ni2 N4 42.3(4) 6_565 6_565 ?
N2A Ni2 N4 136.2(4) . 6_565 ?
N3 Ni2 N4 90.72(12) . 6_565 ?
N3 Ni2 N4 90.72(12) . . ?
N4 Ni2 N4 178.1(2) 6_565 . ?
N3 Ni2 N2 179.9(2) . . ?
N4 Ni2 N2 89.28(12) 6_565 . ?
N4 Ni2 N2 89.28(12) . . ?
N2A Ni2 N1A 174.5(5) 6_565 . ?
N2A Ni2 N1A 88.4(6) . . ?
N1A Ni2 N1A 88.8(8) 6_565 . ?
N1 C89 C98 126.1(10) . . ?
N1 C89 C90 112.2(8) . . ?
C98 C89 C90 121.7(12) . . ?
C93 C90 C89 105.2(10) . . ?
C93 C90 C91 129.7(8) . . ?
C89 C90 C91 125.2(9) . . ?
C90 C91 C92 112.5(7) . . ?
C90 C91 H91A 109.1 . . ?
C92 C91 H91A 109.1 . . ?
C90 C91 H91B 109.1 . . ?
C92 C91 H91B 109.1 . . ?
H91A C91 H91B 107.8 . . ?
C91 C92 H92A 109.5 . . ?
C91 C92 H92B 109.5 . . ?
H92A C92 H92B 109.5 . . ?
C91 C92 H92C 109.5 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
C90 C93 C96 106.2(7) . . ?
C90 C93 C94 128.6(10) . . ?
C96 C93 C94 125.1(9) . . ?
C93 C94 C95 111.5(7) . . ?
C93 C94 H94A 109.3 . . ?
C95 C94 H94A 109.3 . . ?
C93 C94 H94B 109.3 . . ?
C95 C94 H94B 109.3 . . ?
H94A C94 H94B 108.0 . . ?
C94 C95 H95A 109.5 . . ?
C94 C95 H95B 109.5 . . ?
H95A C95 H95B 109.5 . . ?
C94 C95 H95C 109.5 . . ?
H95A C95 H95C 109.5 . . ?
H95B C95 H95C 109.5 . . ?
C97 C96 N1 124.3(10) . . ?
C97 C96 C93 123.5(7) . . ?
N1 C96 C93 112.2(9) . . ?
C96 C97 H97 117.5 . . ?
C96 C97 H97 117.5 6_565 . ?
C89 C98 H98 118.9 . . ?
C89 C98 H98 118.9 2_655 . ?
C89 N1 C96 104.0(8) . . ?
C89 N1 Ni1 127.7(5) . . ?
C96 N1 Ni1 128.2(8) . . ?
N1 Ni1 N1 89.9(5) 6_565 . ?
N1 Ni1 N1 90.1(5) 2_655 . ?
N1 Ni1 N1 180.0 5_665 . ?
C2A C1A C3A 130(2) . . ?
C2A C1A C112 108.6(13) . . ?
C3A C1A C112 121.5(18) . . ?
C1A C2A C4A 130.4(17) . . ?
C1A C2A C105 110.0(17) . . ?
C4A C2A C105 119.5(16) . . ?
C1A C3A C14A 109.0(19) . . ?
C1A C3A H3AA 109.9 . . ?
C14A C3A H3AA 109.9 . . ?
C1A C3A H3AB 109.9 . . ?
C14A C3A H3AB 109.9 . . ?
H3AA C3A H3AB 108.3 . . ?
C3A C14A H14A 109.5 . . ?
C3A C14A H14B 109.5 . . ?
H14A C14A H14B 109.5 . . ?
C3A C14A H14C 109.5 . . ?
H14A C14A H14C 109.5 . . ?
H14B C14A H14C 109.5 . . ?
C4A C13A H13A 109.5 . . ?
C4A C13A H13B 109.5 . . ?
H13A C13A H13B 109.5 . . ?
C4A C13A H13C 109.5 . . ?
H13A C13A H13C 109.5 . . ?
H13B C13A H13C 109.5 . . ?
C2A C4A C13A 110(2) . . ?
C2A C4A H4AA 109.7 . . ?
C13A C4A H4AA 109.7 . . ?
C2A C4A H4AB 109.7 . . ?
C13A C4A H4AB 109.7 . . ?
H4AA C4A H4AB 108.2 . . ?
C105 C5A C106 123.5(16) . . ?
C105 C5A H5A 118.2 . . ?
C106 C5A H5A 118.2 . . ?
C7A C6A C106 106.8(15) . . ?
C7A C6A C9A 130.4(17) . . ?
C106 C6A C9A 122.5(14) . . ?
C6A C7A C108 114.3(13) . . ?
C6A C7A C8A 127.9(18) . . ?
C108 C7A C8A 117.8(14) . . ?
C12A C8A C7A 113.9(19) . . ?
C12A C8A H8AA 108.7 . . ?
C7A C8A H8AA 108.8 . . ?
C12A C8A H8AB 108.8 . . ?
C7A C8A H8AB 108.8 . . ?
H8AA C8A H8AB 107.7 . . ?
C6A C9A C104 113.0(16) . . ?
C6A C9A H9AA 109.0 . . ?
C104 C9A H9AA 109.0 . . ?
C6A C9A H9AB 109.0 . . ?
C104 C9A H9AB 109.0 . . ?
H9AA C9A H9AB 107.8 . . ?
C112 C10A C112 116.9(16) . 6_565 ?
C112 C10A H10Z 121.5 . . ?
C112 C10A H10Z 121.5 6_565 . ?
C8A C12A H12A 109.5 . . ?
C8A C12A H12B 109.4 . . ?
H12A C12A H12B 109.5 . . ?
C8A C12A H12C 109.5 . . ?
H12A C12A H12C 109.5 . . ?
H12B C12A H12C 109.5 . . ?
C108 C11A C108 125.4(15) 6_565 . ?
C108 C11A H11Z 117.3 6_565 . ?
C108 C11A H11Z 117.3 . . ?
C112 N1A C105 116.3(10) . . ?
C112 N1A Ni2 122.9(10) . . ?
C105 N1A Ni2 120.8(7) . . ?
C106 N2A C108 109.2(8) . . ?
C106 N2A Ni2 128.8(7) . . ?
C108 N2A Ni2 121.1(9) . . ?
C102 C99 C105 108.1(4) . . ?
C102 C99 C100 128.4(5) . . ?
C105 C99 C100 123.5(5) . . ?
C99 C100 C101 113.4(7) . . ?
C99 C100 H10G 108.9 . . ?
C101 C100 H10G 108.9 . . ?
C99 C100 H10H 108.9 . . ?
C101 C100 H10H 108.9 . . ?
H10G C100 H10H 107.7 . . ?
C100 C101 H10A 109.5 . . ?
C100 C101 H10B 109.5 . . ?
H10A C101 H10B 109.5 . . ?
C100 C101 H10C 109.5 . . ?
H10A C101 H10C 109.5 . . ?
H10B C101 H10C 109.5 . . ?
C99 C102 C106 106.4(4) . . ?
C99 C102 C103 128.5(5) . . ?
C106 C102 C103 125.0(5) . . ?
C102 C103 C104 112.7(5) . . ?
C102 C103 H10I 109.1 . . ?
C104 C103 H10I 109.1 . . ?
C102 C103 H10J 109.1 . . ?
C104 C103 H10J 109.1 . . ?
H10I C103 H10J 107.8 . . ?
C108 C107 C106 121.7(5) . . ?
C108 C107 H107 119.1 . . ?
C106 C107 H107 119.1 . . ?
C109 C109 C108 106.5(3) 6_565 . ?
C109 C109 C110 128.9(3) 6_565 . ?
C108 C109 C110 124.5(5) . . ?
C109 C110 C111 113.2(7) . . ?
C109 C110 H11D 108.9 . . ?
C111 C110 H11D 108.9 . . ?
C109 C110 H11E 108.9 . . ?
C111 C110 H11E 108.9 . . ?
H11D C110 H11E 107.8 . . ?
C110 C111 H11F 109.5 . . ?
C110 C111 H11G 109.5 . . ?
H11F C111 H11G 109.5 . . ?
C110 C111 H11H 109.5 . . ?
H11F C111 H11H 109.5 . . ?
H11G C111 H11H 109.5 . . ?
C113 C113 C112 107.7(3) 6_565 . ?
C113 C113 C114 128.8(3) 6_565 . ?
C112 C113 C114 123.4(5) . . ?
C113 C114 C115 112.7(7) . . ?
C113 C114 H11I 109.0 . . ?
C115 C114 H11I 109.0 . . ?
C113 C114 H11J 109.0 . . ?
C115 C114 H11J 109.0 . . ?
H11I C114 H11J 107.8 . . ?
C114 C115 H11A 109.5 . . ?
C114 C115 H11B 109.5 . . ?
H11A C115 H11B 109.5 . . ?
C114 C115 H11C 109.5 . . ?
H11A C115 H11C 109.5 . . ?
H11B C115 H11C 109.5 . . ?
C105 C116 C112 125.3(5) . . ?
C105 C116 H116 117.3 . . ?
C112 C116 H116 117.3 . . ?
C108 N2 C108 107.8(5) 6_565 . ?
C108 N2 Ni2 126.0(3) 6_565 . ?
C108 N2 Ni2 126.0(3) . . ?
C112 N3 C112 105.7(5) 6_565 . ?
C112 N3 Ni2 127.1(3) 6_565 . ?
C112 N3 Ni2 127.1(3) . . ?
C106 N4 C105 106.6(4) . . ?
C106 N4 Ni2 128.0(3) . . ?
C105 N4 Ni2 125.4(3) . . ?

_refine_diff_density_max         1.332
_refine_diff_density_min         -1.168
_refine_diff_density_rms         0.092

####################################################################### 
# 
# 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_lb206
_database_code_depnum_ccdc_archive 'CCDC 1578320'
_audit_update_record             
;
2018-09-16 deposited with the CCDC.
2018-12-17 downloaded from the CCDC.
;

_vrf_PLAT308_lb206               
;
PROBLEM: Single Bonded Metal Atom in Structure (Unusual) Eu3 Check
RESPONSE: This is an endohedral Eu atom.
;


_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        'Eu@C1(7)-C86 Ni(OEP)'
_chemical_name_common            'Eu@C1(7)-C86 Ni(OEP)'
_chemical_melting_point          ?
_chemical_formula_moiety         '2(C86 Eu), 3(C36 H44 N4 Ni)'
_chemical_formula_sum            'C280 H132 Eu2 N12 Ni3'
_chemical_formula_weight         4144.02

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0027 0.0014 '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 0.0053 0.0028 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3436 0.9622 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1666 3.2045 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_H-M_alt        'C 2/m'
_space_group_name_Hall           '-C 2y'

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

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

_cell_length_a                   24.307(5)
_cell_length_b                   18.191(5)
_cell_length_c                   22.087(6)
_cell_angle_alpha                90
_cell_angle_beta                 100.995(3)
_cell_angle_gamma                90
_cell_volume                     9587(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9983
_cell_measurement_theta_min      2.560
_cell_measurement_theta_max      23.031

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.436
_exptl_crystal_F_000             4212
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    0.795
_shelx_estimated_absorpt_T_min   0.890
_shelx_estimated_absorpt_T_max   0.925
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.7067
_exptl_absorpt_correction_T_max  0.7449
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   SADABS
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.6525
_diffrn_radiation_type           synchrotron
_diffrn_source                   'SSRF, Beamline B17B1'
_diffrn_measurement_device_type  'CCD MX-300'
_diffrn_measurement_method       'phi scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            65568
_diffrn_reflns_av_unetI/netI     0.0463
_diffrn_reflns_av_R_equivalents  0.0665
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         1.292
_diffrn_reflns_theta_max         23.192
_diffrn_reflns_theta_full        23.048
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             9101
_reflns_number_gt                5816
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

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 -0.002 0.000 -0.002 790 489 ' '
2 0.590 0.500 0.090 790 489 ' '
_platon_squeeze_details          
;
The unit cell may contain benzene and/or carbon disulfide molecules 
which have been treated as a diffuse contribution to the overall 
scattering without specific atom positions by SQUEEZE/PLATON.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0700P)²+80.1851P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9101
_refine_ls_number_parameters     1094
_refine_ls_number_restraints     7959
_refine_ls_R_factor_all          0.1766
_refine_ls_R_factor_gt           0.1407
_refine_ls_wR_factor_ref         0.3150
_refine_ls_wR_factor_gt          0.2961
_refine_ls_goodness_of_fit_ref   1.106
_refine_ls_restrained_S_all      1.473
_refine_ls_shift/su_max          0.028
_refine_ls_shift/su_mean         0.004

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C53 C 0.7519(10) 0.500000 0.9544(10) 0.206(8) Uani 1 2 d DS TU P . .
C29 C 0.9480(11) 0.4871(11) 0.8428(10) 0.188(10) Uani 0.5 1 d D U P A -1
C33 C 0.7691(7) 0.7418(10) 0.7943(7) 0.096(5) Uani 0.5 1 d D U P A -1
C56 C 0.6575(12) 0.4663(13) 0.8859(11) 0.203(12) Uani 0.5 1 d D U P A -1
C70 C 0.7267(13) 0.305(2) 0.6686(14) 0.258(15) Uani 0.5 1 d D U P A -1
C1 C 0.8358(9) 0.5909(11) 0.9296(10) 0.131(8) Uani 0.5 1 d D U P A -1
C2 C 0.8430(10) 0.5117(11) 0.9367(10) 0.179(9) Uani 0.5 1 d D U P A -1
C3 C 0.7828(10) 0.6176(18) 0.9258(18) 0.179(11) Uani 0.5 1 d D U P A -1
C4 C 0.8016(10) 0.4671(12) 0.9498(13) 0.206(8) Uani 0.5 1 d D U P A -1
C5 C 0.7905(10) 0.3935(15) 0.929(2) 0.216(14) Uani 0.5 1 d D U P A -1
C6 C 0.8277(10) 0.3569(12) 0.9005(12) 0.200(12) Uani 0.5 1 d D U P A -1
C7 C 0.8792(12) 0.3937(14) 0.8937(15) 0.166(12) Uani 0.5 1 d D U P A -1
C8 C 0.8842(9) 0.4713(10) 0.9116(11) 0.153(10) Uani 0.5 1 d D U P A -1
C9 C 0.9174(9) 0.5159(10) 0.8837(10) 0.151(9) Uani 0.5 1 d D U P A -1
C10 C 0.8860(11) 0.2987(15) 0.8138(11) 0.201(13) Uani 0.5 1 d D U P A -1
C11 C 0.9051(10) 0.3633(12) 0.8480(11) 0.168(11) Uani 0.5 1 d D U P A -1
C12 C 0.8312(9) 0.2712(18) 0.8130(11) 0.237(14) Uani 0.5 1 d D U P A -1
C13 C 0.8003(10) 0.299(2) 0.8577(13) 0.201(14) Uani 0.5 1 d D U P A -1
C14 C 0.7410(9) 0.2832(14) 0.8408(10) 0.208(12) Uani 0.5 1 d D U P A -1
C15 C 0.7608(10) 0.6739(12) 0.8849(11) 0.160(9) Uani 0.5 1 d D U P A -1
C16 C 0.9146(9) 0.5937(10) 0.8784(11) 0.151(9) Uani 0.5 1 d D U P A -1
C17 C 0.8719(12) 0.6317(12) 0.8974(14) 0.153(10) Uani 0.5 1 d D U P A -1
C18 C 0.8509(8) 0.6951(11) 0.8622(9) 0.138(8) Uani 0.5 1 d D U P A -1
C19 C 0.7932(9) 0.7175(15) 0.8567(10) 0.140(9) Uani 0.5 1 d D U P A -1
C20 C 0.9394(12) 0.6128(11) 0.8288(10) 0.150(10) Uani 0.5 1 d D U P A -1
C21 C 0.9110(11) 0.6677(14) 0.7901(11) 0.188(11) Uani 0.5 1 d D U P A -1
C22 C 0.8667(9) 0.7170(18) 0.8056(11) 0.172(11) Uani 0.5 1 d D U P A -1
C23 C 0.9052(13) 0.6586(15) 0.7287(10) 0.218(12) Uani 0.5 1 d D U P A -1
C24 C 0.9564(12) 0.5460(11) 0.8060(10) 0.193(12) Uani 0.5 1 d D U P A -1
C25 C 0.9499(10) 0.4652(11) 0.7252(10) 0.234(9) Uani 0.5 1 d D U P A -1
C26 C 0.9420(8) 0.5349(11) 0.7434(10) 0.234(9) Uani 0.5 1 d D U P A -1
C27 C 0.9269(11) 0.5946(13) 0.7055(10) 0.212(12) Uani 0.5 1 d D U P A -1
C28 C 0.9348(14) 0.4167(13) 0.8219(11) 0.176(11) Uani 0.5 1 d D U P A -1
C30 C 0.9432(12) 0.4050(11) 0.7628(9) 0.198(11) Uani 0.5 1 d D U P A -1
C31 C 0.7082(9) 0.7012(12) 0.6962(10) 0.135(8) Uani 0.5 1 d D U P A -1
C32 C 0.7158(10) 0.7108(17) 0.7595(11) 0.148(9) Uani 0.5 1 d D U P A -1
C34 C 0.8166(9) 0.743(2) 0.7633(10) 0.194(11) Uani 0.5 1 d D U P A -1
C35 C 0.8609(10) 0.6850(14) 0.6820(11) 0.184(11) Uani 0.5 1 d D U P A -1
C36 C 0.8118(10) 0.7190(16) 0.7027(11) 0.194(11) Uani 0.5 1 d D U P A -1
C37 C 0.7597(9) 0.7080(14) 0.6711(9) 0.159(10) Uani 0.5 1 d D U P A -1
C38 C 0.6831(11) 0.6652(16) 0.7949(13) 0.178(10) Uani 0.5 1 d D U P A -1
C39 C 0.7037(11) 0.6634(18) 0.8599(14) 0.173(11) Uani 0.5 1 d D U P A -1
C40 C 0.6877(10) 0.6028(13) 0.8919(13) 0.214(12) Uani 0.5 1 d D U P A -1
C41 C 0.6418(11) 0.6111(13) 0.7634(13) 0.174(10) Uani 0.5 1 d D U P A -1
C42 C 0.6378(14) 0.5483(13) 0.8042(11) 0.200(11) Uani 0.5 1 d D U P A -1
C43 C 0.6618(14) 0.5411(13) 0.8661(11) 0.207(12) Uani 0.5 1 d D U P A -1
C44 C 0.7029(8) 0.6123(10) 0.6191(9) 0.120(8) Uani 0.5 1 d D U P A -1
C45 C 0.6739(9) 0.6421(14) 0.6651(11) 0.134(9) Uani 0.5 1 d D U P A -1
C46 C 0.6474(13) 0.5898(12) 0.7007(14) 0.189(12) Uani 0.5 1 d D U P A -1
C47 C 0.6923(12) 0.5410(13) 0.6019(16) 0.193(13) Uani 0.5 1 d D U P A -1
C48 C 0.6644(11) 0.4907(13) 0.6331(11) 0.227(13) Uani 0.5 1 d D U P A -1
C49 C 0.6441(9) 0.5143(12) 0.6835(10) 0.220(12) Uani 0.5 1 d D U P A -1
C50 C 0.8507(10) 0.6281(13) 0.6366(13) 0.232(12) Uani 0.5 1 d D U P A -1
C51 C 0.7946(9) 0.6050(14) 0.6096(13) 0.216(12) Uani 0.5 1 d D U P A -1
C52 C 0.7536(9) 0.6529(14) 0.6206(12) 0.176(11) Uani 0.5 1 d D U P A -1
C54 C 0.7088(10) 0.4543(13) 0.9221(15) 0.191(11) Uani 0.5 1 d D U P A -1
C55 C 0.7367(11) 0.5721(16) 0.9316(17) 0.190(11) Uani 0.5 1 d D U P A -1
C57 C 0.6369(12) 0.4261(11) 0.8325(11) 0.177(11) Uani 0.5 1 d D U P A -1
C58 C 0.7324(11) 0.3834(13) 0.9172(17) 0.216(13) Uani 0.5 1 d D U P A -1
C59 C 0.7094(12) 0.3321(19) 0.8696(12) 0.184(13) Uani 0.5 1 d D U P A -1
C60 C 0.6626(10) 0.3559(13) 0.8247(11) 0.177(11) Uani 0.5 1 d D U P A -1
C61 C 0.6329(12) 0.4541(12) 0.7244(11) 0.222(13) Uani 0.5 1 d D U P A -1
C62 C 0.6252(13) 0.4754(12) 0.7827(10) 0.201(12) Uani 0.5 1 d D U P A -1
C63 C 0.6666(10) 0.3289(13) 0.7650(10) 0.188(12) Uani 0.5 1 d D U P A -1
C64 C 0.6523(14) 0.3779(13) 0.7179(14) 0.214(14) Uani 0.5 1 d D U P A -1
C65 C 0.7234(12) 0.4286(14) 0.5884(16) 0.244(15) Uani 0.5 1 d D U P A -1
C66 C 0.6838(15) 0.4184(13) 0.6253(14) 0.258(16) Uani 0.5 1 d D U P A -1
C67 C 0.6836(18) 0.3623(16) 0.6700(16) 0.248(16) Uani 0.5 1 d D U P A -1
C68 C 0.7656(9) 0.3827(14) 0.5916(11) 0.201(12) Uani 0.5 1 d D U P A -1
C69 C 0.7680(10) 0.3153(15) 0.6283(14) 0.225(14) Uani 0.5 1 d D U P A -1
C71 C 0.8297(10) 0.4817(15) 0.5877(13) 0.256(12) Uani 0.5 1 d D U P A -1
C72 C 0.7853(8) 0.5380(13) 0.5773(11) 0.177(10) Uani 0.5 1 d D U P A -1
C73 C 0.7346(11) 0.5041(15) 0.5797(12) 0.232(12) Uani 0.5 1 d D U P A -1
C74 C 0.8230(11) 0.4051(15) 0.5928(15) 0.245(13) Uani 0.5 1 d D U P A -1
C75 C 0.8985(14) 0.3825(14) 0.6663(11) 0.242(14) Uani 0.5 1 d D U P A -1
C76 C 0.9233(11) 0.4521(13) 0.6645(10) 0.217(12) Uani 0.5 1 d D U P A -1
C77 C 0.8825(9) 0.4997(15) 0.6238(12) 0.229(11) Uani 0.5 1 d D U P A -1
C78 C 0.8898(11) 0.5710(14) 0.6510(13) 0.224(12) Uani 0.5 1 d D U P A -1
C79 C 0.8573(9) 0.3471(14) 0.6252(11) 0.249(14) Uani 0.5 1 d D U P A -1
C80 C 0.8421(10) 0.2666(13) 0.7113(10) 0.223(14) Uani 0.5 1 d D U P A -1
C81 C 0.8898(10) 0.2988(15) 0.7492(10) 0.212(13) Uani 0.5 1 d D U P A -1
C82 C 0.9227(11) 0.3478(11) 0.7227(11) 0.223(13) Uani 0.5 1 d D U P A -1
C83 C 0.8236(10) 0.2989(12) 0.6526(10) 0.225(13) Uani 0.5 1 d D U P A -1
C84 C 0.7117(10) 0.2752(16) 0.7782(11) 0.222(14) Uani 0.5 1 d D U P A -1
C85 C 0.7449(11) 0.2712(18) 0.7303(11) 0.258(14) Uani 0.5 1 d D U P A -1
C86 C 0.8030(10) 0.2504(17) 0.7506(11) 0.233(14) Uani 0.5 1 d D U P A -1
C87 C 0.7165(3) 0.3841(5) 0.4209(4) 0.100(3) Uani 1 1 d . . . B 2
H87A H 0.733633 0.353474 0.393080 0.150 Uiso 1 1 calc R U . B 2
H87B H 0.713415 0.355791 0.457897 0.150 Uiso 1 1 calc R U . B 2
H87C H 0.739777 0.427625 0.432792 0.150 Uiso 1 1 calc R U . B 2
C88 C 0.6572(4) 0.4084(6) 0.3877(4) 0.103(3) Uani 1 1 d . . . B 2
H88A H 0.632855 0.364615 0.378759 0.123 Uiso 1 1 calc R U . B 2
H88B H 0.659898 0.431906 0.347927 0.123 Uiso 1 1 calc R U . B 2
C89 C 0.6301(3) 0.4641(4) 0.4281(4) 0.0756(15) Uani 1 1 d . U . B 2
C90 C 0.6025(3) 0.4403(4) 0.4723(3) 0.0710(15) Uani 1 1 d . U . B 2
C91 C 0.5944(3) 0.3675(5) 0.4865(4) 0.0881(16) Uani 1 1 d . U . B 2
H91 H 0.607719 0.330539 0.462523 0.106 Uiso 1 1 calc R U . B 2
C92 C 0.5682(3) 0.3459(4) 0.5330(4) 0.0844(14) Uani 1 1 d . U . B 2
C93 C 0.5615(3) 0.2720(5) 0.5505(5) 0.093(3) Uani 1 1 d . . . B 2
C94 C 0.5840(3) 0.2055(4) 0.5176(5) 0.109(3) Uani 1 1 d . . . B 2
H94A H 0.562282 0.161065 0.523747 0.130 Uiso 1 1 calc R U . B 2
H94B H 0.577887 0.215518 0.472730 0.130 Uiso 1 1 calc R U . B 2
C95 C 0.6462(3) 0.1903(5) 0.5411(5) 0.113(3) Uani 1 1 d . . . B 2
H95A H 0.656335 0.143303 0.524500 0.169 Uiso 1 1 calc R U . B 2
H95B H 0.653694 0.188005 0.586287 0.169 Uiso 1 1 calc R U . B 2
H95C H 0.668567 0.229799 0.527708 0.169 Uiso 1 1 calc R U . B 2
C96 C 0.5352(3) 0.2712(5) 0.5989(5) 0.098(3) Uani 1 1 d . . . B 2
C97 C 0.5186(4) 0.2060(5) 0.6377(5) 0.116(4) Uani 1 1 d . . . B 2
H97A H 0.481074 0.215719 0.647249 0.140 Uiso 1 1 calc R U . B 2
H97B H 0.516129 0.160423 0.612888 0.140 Uiso 1 1 calc R U . B 2
C98 C 0.5602(3) 0.1945(5) 0.6976(5) 0.111(3) Uani 1 1 d . . . B 2
H98A H 0.597417 0.184726 0.688472 0.167 Uiso 1 1 calc R U . B 2
H98B H 0.548334 0.152597 0.719862 0.167 Uiso 1 1 calc R U . B 2
H98C H 0.561701 0.238805 0.723136 0.167 Uiso 1 1 calc R U . B 2
C99 C 0.5248(3) 0.3463(4) 0.6134(4) 0.0818(15) Uani 1 1 d . U . B 2
C100 C 0.4965(3) 0.3666(5) 0.6614(4) 0.096(2) Uani 1 1 d . U . B 2
H100 H 0.482510 0.330275 0.685462 0.116 Uiso 1 1 calc R U . B 2
C101 C 0.4898(3) 0.4404(5) 0.6724(4) 0.0852(16) Uani 1 1 d . U . B 2
C102 C 0.4617(3) 0.4622(5) 0.7203(4) 0.100(2) Uani 1 1 d . U . B 2
C103 C 0.4398(4) 0.4081(6) 0.7639(4) 0.108(3) Uani 1 1 d . U . B 2
H10A H 0.419146 0.367982 0.739197 0.130 Uiso 1 1 calc R U . B 2
H10B H 0.413105 0.434226 0.785092 0.130 Uiso 1 1 calc R U . B 2
C104 C 0.4869(5) 0.3745(8) 0.8130(5) 0.153(5) Uani 1 1 d . . . B 2
H10C H 0.509449 0.413967 0.835573 0.229 Uiso 1 1 calc R U . B 2
H10D H 0.510918 0.343412 0.792630 0.229 Uiso 1 1 calc R U . B 2
H10E H 0.470378 0.344651 0.841835 0.229 Uiso 1 1 calc R U . B 2
C105 C 1.000000 0.3118(8) 1.000000 0.110(5) Uani 1 2 d S T P C 2
H105 H 1.000000 0.259606 1.000000 0.132 Uiso 1 2 calc R U P C 2
C106 C 0.9654(5) 0.3481(6) 1.0329(5) 0.112(3) Uani 1 1 d . . . C 2
C107 C 0.9289(6) 0.3101(6) 1.0671(5) 0.121(4) Uani 1 1 d . . . C 2
C108 C 0.9219(6) 0.2292(6) 1.0677(5) 0.133(4) Uani 1 1 d . . . C 2
H10F H 0.909495 0.214288 1.106069 0.160 Uiso 1 1 calc R U . C 2
H10G H 0.958306 0.205167 1.067059 0.160 Uiso 1 1 calc R U . C 2
C109 C 0.8797(7) 0.2042(6) 1.0132(6) 0.171(6) Uani 1 1 d . . . C 2
H10H H 0.894938 0.210836 0.975561 0.257 Uiso 1 1 calc R U . C 2
H10I H 0.845349 0.233244 1.010313 0.257 Uiso 1 1 calc R U . C 2
H10J H 0.871174 0.152100 1.018014 0.257 Uiso 1 1 calc R U . C 2
C110 C 0.9042(6) 0.3630(7) 1.0955(6) 0.132(4) Uani 1 1 d . . . C 2
C111 C 0.8617(7) 0.3571(7) 1.1393(7) 0.158(5) Uani 1 1 d . . . C 2
H11A H 0.863884 0.307578 1.158196 0.189 Uiso 1 1 calc R U . C 2
H11B H 0.870972 0.393767 1.172839 0.189 Uiso 1 1 calc R U . C 2
C112 C 0.8029(8) 0.3706(8) 1.1038(6) 0.172(6) Uani 1 1 d . . . C 2
H11C H 0.793333 0.333327 1.071518 0.258 Uiso 1 1 calc R U . C 2
H11D H 0.800870 0.419555 1.084938 0.258 Uiso 1 1 calc R U . C 2
H11E H 0.776323 0.367794 1.132029 0.258 Uiso 1 1 calc R U . C 2
C113 C 0.9247(6) 0.4340(6) 1.0770(5) 0.124(4) Uani 1 1 d . . . C 2
C114 C 0.9082(8) 0.500000 1.0974(8) 0.136(6) Uani 1 2 d S T P C 2
H114 H 0.884451 0.499999 1.126936 0.163 Uiso 1 2 calc R U P C 2
N1 N 0.5835(4) 0.500000 0.5026(5) 0.090(3) Uani 1 2 d S T P B 2
N2 N 0.5453(2) 0.3920(4) 0.5720(3) 0.0855(13) Uani 1 1 d . U . B 2
N3 N 0.5048(4) 0.500000 0.6424(5) 0.0876(18) Uani 1 2 d S TU P B 2
N4 N 0.9611(4) 0.4239(5) 1.0386(4) 0.111(3) Uani 1 1 d . . . C 2
Ni1 Ni 0.54482(4) 0.500000 0.57122(6) 0.0590(4) Uani 1 2 d S T P B 2
Ni2 Ni 1.000000 0.500000 1.000000 0.1070(9) Uani 1 4 d S T P C 2
Eu1 Eu 0.8498(8) 0.5461(9) 0.7643(8) 0.504(11) Uani 0.1666 1 d . U P A 3
Eu2 Eu 0.7810(6) 0.5424(7) 0.6967(6) 0.402(9) Uani 0.1459 1 d . U P A 3
Eu3 Eu 0.75484(18) 0.5430(2) 0.8140(2) 0.0986(12) Uani 0.1384 1 d . U P A 3
Eu4 Eu 0.7441(3) 0.500000 0.8209(4) 0.0760(19) Uani 0.0982 2 d S TU P A 3


_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
C53 C4 1.369(16) . ?
C53 C55 1.43(3) . ?
C53 C54 1.419(16) . ?
C53 Eu4 2.92(2) . ?
C53 Eu3 3.21(2) 6_565 ?
C53 Eu3 3.21(2) . ?
C29 C9 1.377(16) . ?
C29 C28 1.378(19) . ?
C29 C24 1.384(13) . ?
C33 C34 1.449(17) . ?
C33 C19 1.460(16) . ?
C33 C32 1.486(18) . ?
C56 C54 1.363(17) . ?
C56 C57 1.397(17) . ?
C56 C43 1.439(17) . ?
C70 C69 1.48(2) . ?
C70 C85 1.481(18) . ?
C70 C67 1.49(2) . ?
C1 C3 1.36(3) . ?
C1 C17 1.438(18) . ?
C1 C2 1.458(18) . ?
C2 C4 1.366(18) . ?
C2 C8 1.436(17) . ?
C3 C15 1.403(17) . ?
C3 C55 1.420(17) . ?
C4 C5 1.423(13) . ?
C5 C6 1.370(19) . ?
C5 C58 1.399(17) . ?
C6 C7 1.452(19) . ?
C6 C13 1.484(18) . ?
C7 C11 1.402(15) . ?
C7 C8 1.465(18) . ?
C8 C9 1.371(17) . ?
C9 C16 1.420(13) . ?
C10 C12 1.420(17) . ?
C10 C11 1.425(16) . ?
C10 C81 1.447(17) . ?
C11 C28 1.400(16) . ?
C12 C13 1.44(2) . ?
C12 C86 1.467(14) . ?
C13 C14 1.449(19) . ?
C14 C59 1.402(17) . ?
C14 C84 1.437(14) . ?
C15 C19 1.350(16) . ?
C15 C39 1.406(17) . ?
C16 C17 1.376(18) . ?
C16 C20 1.392(17) . ?
C17 C18 1.429(16) . ?
C18 C22 1.432(17) . ?
C18 C19 1.443(16) . ?
C20 C21 1.407(19) . ?
C20 C24 1.407(13) . ?
C21 C23 1.347(19) . ?
C21 C22 1.491(18) . ?
C22 C34 1.462(17) . ?
C23 C27 1.413(13) . ?
C23 C35 1.424(17) . ?
C24 C26 1.375(18) . ?
C25 C26 1.355(18) . ?
C25 C76 1.393(12) . ?
C25 C30 1.404(11) . ?
C26 C27 1.377(19) . ?
C27 C78 1.426(17) . ?
C28 C30 1.373(18) . ?
C30 C82 1.396(12) . ?
C31 C32 1.39(3) . ?
C31 C45 1.450(17) . ?
C31 C37 1.466(17) . ?
C32 C38 1.47(3) . ?
C34 C36 1.39(4) . ?
C35 C50 1.430(17) . ?
C35 C36 1.491(18) . ?
C36 C37 1.34(3) . ?
C37 C52 1.487(17) . ?
C38 C39 1.43(4) . ?
C38 C41 1.480(18) . ?
C39 C40 1.405(17) . ?
C40 C43 1.359(17) . ?
C40 C55 1.449(18) . ?
C41 C42 1.469(17) . ?
C41 C46 1.47(4) . ?
C42 C43 1.386(17) . ?
C42 C62 1.422(17) . ?
C44 C47 1.36(3) . ?
C44 C52 1.431(17) . ?
C44 C45 1.447(17) . ?
C45 C46 1.46(3) . ?
C46 C49 1.424(16) . ?
C47 C73 1.392(17) . ?
C47 C48 1.397(17) . ?
C48 C49 1.370(19) . ?
C48 C66 1.418(14) . ?
C49 C61 1.478(19) . ?
C50 C78 1.403(14) . ?
C50 C51 1.44(2) . ?
C51 C52 1.38(2) . ?
C51 C72 1.409(19) . ?
C54 C58 1.423(17) . ?
C57 C62 1.406(17) . ?
C57 C60 1.446(17) . ?
C58 C59 1.44(4) . ?
C59 C60 1.427(17) . ?
C60 C63 1.426(17) . ?
C61 C62 1.391(16) . ?
C61 C64 1.479(19) . ?
C63 C64 1.36(3) . ?
C63 C84 1.456(17) . ?
C64 C67 1.44(2) . ?
C65 C68 1.31(2) . ?
C65 C66 1.388(18) . ?
C65 C73 1.421(18) . ?
C66 C67 1.42(2) . ?
C68 C74 1.448(17) . ?
C68 C69 1.464(17) . ?
C69 C83 1.389(17) . ?
C71 C74 1.41(4) . ?
C71 C77 1.413(19) . ?
C71 C72 1.474(19) . ?
C72 C73 1.39(3) . ?
C74 C79 1.447(17) . ?
C75 C79 1.376(14) . ?
C75 C76 1.408(12) . ?
C75 C82 1.421(11) . ?
C76 C77 1.48(3) . ?
C77 C78 1.43(2) . ?
C79 C83 1.413(14) . ?
C80 C83 1.416(19) . ?
C80 C81 1.419(14) . ?
C80 C86 1.435(17) . ?
C81 C82 1.398(19) . ?
C84 C85 1.45(2) . ?
C85 C86 1.45(2) . ?
C87 C88 1.551(11) . ?
C87 H87A 0.9800 . ?
C87 H87B 0.9800 . ?
C87 H87C 0.9800 . ?
C88 C89 1.575(11) . ?
C88 H88A 0.9900 . ?
C88 H88B 0.9900 . ?
C89 C89 1.308(14) 6_565 ?
C89 C90 1.355(10) . ?
C90 C91 1.385(11) . ?
C90 N1 1.400(9) . ?
C91 C92 1.367(12) . ?
C91 H91 0.9500 . ?
C92 N2 1.391(10) . ?
C92 C93 1.416(11) . ?
C93 C96 1.347(13) . ?
C93 C94 1.562(12) . ?
C94 C95 1.528(10) . ?
C94 H94A 0.9900 . ?
C94 H94B 0.9900 . ?
C95 H95A 0.9800 . ?
C95 H95B 0.9800 . ?
C95 H95C 0.9800 . ?
C96 C99 1.438(11) . ?
C96 C97 1.560(13) . ?
C97 C98 1.519(12) . ?
C97 H97A 0.9900 . ?
C97 H97B 0.9900 . ?
C98 H98A 0.9800 . ?
C98 H98B 0.9800 . ?
C98 H98C 0.9800 . ?
C99 N2 1.397(10) . ?
C99 C100 1.419(12) . ?
C100 C101 1.379(12) . ?
C100 H100 0.9500 . ?
C101 N3 1.356(10) . ?
C101 C102 1.421(12) . ?
C102 C102 1.375(18) 6_565 ?
C102 C103 1.541(12) . ?
C103 C104 1.545(13) . ?
C103 H10A 0.9900 . ?
C103 H10B 0.9900 . ?
C104 H10C 0.9800 . ?
C104 H10D 0.9800 . ?
C104 H10E 0.9800 . ?
C105 C106 1.380(12) . ?
C105 C106 1.380(12) 2_757 ?
C105 H105 0.9500 . ?
C106 N4 1.391(12) . ?
C106 C107 1.446(15) . ?
C107 C110 1.350(15) . ?
C107 C108 1.482(14) . ?
C108 C109 1.494(16) . ?
C108 H10F 0.9900 . ?
C108 H10G 0.9900 . ?
C109 H10H 0.9800 . ?
C109 H10I 0.9800 . ?
C109 H10J 0.9800 . ?
C110 C113 1.472(15) . ?
C110 C111 1.548(17) . ?
C111 C112 1.513(18) . ?
C111 H11A 0.9900 . ?
C111 H11B 0.9900 . ?
C112 H11C 0.9800 . ?
C112 H11D 0.9800 . ?
C112 H11E 0.9800 . ?
C113 N4 1.350(14) . ?
C113 C114 1.368(14) . ?
C114 H114 0.9500 . ?
N1 Ni1 1.930(10) . ?
N2 Ni1 1.965(6) . ?
N3 Ni1 2.002(11) . ?
N4 Ni2 1.961(9) . ?
Eu1 Eu1 1.68(3) 6_565 ?
Eu1 Eu2 2.021(18) . ?
Eu1 Eu2 2.583(18) 6_565 ?
Eu1 Eu3 2.74(2) . ?
Eu1 Eu4 3.18(2) . ?
Eu1 Eu3 3.183(18) 6_565 ?
Eu2 Eu2 1.54(3) 6_565 ?
Eu2 Eu3 2.784(16) . ?
Eu2 Eu4 3.140(16) . ?
Eu2 Eu3 3.187(13) 6_565 ?
Eu3 Eu4 0.847(5) . ?
Eu3 Eu3 1.563(8) 6_565 ?

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
C4 C53 C55 123(3) . . ?
C4 C53 C54 106.5(15) . . ?
C55 C53 C54 104(2) . . ?
C4 C53 Eu3 68.9(16) . 6_565 ?
C55 C53 Eu3 86(2) . 6_565 ?
C54 C53 Eu3 61.5(16) . 6_565 ?
Eu4 C53 Eu3 14.91(13) . 6_565 ?
Eu4 C53 Eu3 14.92(13) . . ?
Eu3 C53 Eu3 28.2(2) 6_565 . ?
C9 C29 C28 117(2) . . ?
C9 C29 C24 104.4(15) . . ?
C28 C29 C24 124.9(17) . . ?
C34 C33 C19 103.7(13) . . ?
C34 C33 C32 117.1(19) . . ?
C19 C33 C32 121.8(19) . . ?
C54 C56 C57 123(3) . . ?
C54 C56 C43 103(3) . . ?
C57 C56 C43 105.8(16) . . ?
C69 C70 C85 120(2) . . ?
C69 C70 C67 119(3) . . ?
C85 C70 C67 111(3) . . ?
C3 C1 C17 116(2) . . ?
C3 C1 C2 117(2) . . ?
C17 C1 C2 119.5(16) . . ?
C4 C2 C8 112.0(15) . . ?
C4 C2 C1 122(2) . . ?
C8 C2 C1 122.8(15) . . ?
C1 C3 C15 123(2) . . ?
C1 C3 C55 123(3) . . ?
C15 C3 C55 105.9(16) . . ?
C2 C4 C53 117(2) . . ?
C2 C4 C5 126.4(19) . . ?
C53 C4 C5 108.7(14) . . ?
C6 C5 C58 126(3) . . ?
C6 C5 C4 120.3(18) . . ?
C58 C5 C4 107.8(16) . . ?
C5 C6 C7 118.8(17) . . ?
C5 C6 C13 113(2) . . ?
C7 C6 C13 123(2) . . ?
C11 C7 C6 114(2) . . ?
C11 C7 C8 123(2) . . ?
C6 C7 C8 116.4(16) . . ?
C9 C8 C2 112.7(15) . . ?
C9 C8 C7 118.4(18) . . ?
C2 C8 C7 124.7(15) . . ?
C8 C9 C29 120.5(17) . . ?
C8 C9 C16 127.1(15) . . ?
C29 C9 C16 110.5(14) . . ?
C12 C10 C11 120(2) . . ?
C12 C10 C81 102.9(15) . . ?
C11 C10 C81 116(2) . . ?
C28 C11 C7 111(2) . . ?
C28 C11 C10 120(2) . . ?
C7 C11 C10 124(2) . . ?
C10 C12 C13 118(2) . . ?
C10 C12 C86 111.8(15) . . ?
C13 C12 C86 121.5(17) . . ?
C12 C13 C14 112.1(16) . . ?
C12 C13 C6 117(2) . . ?
C14 C13 C6 127(2) . . ?
C59 C14 C84 106.7(15) . . ?
C59 C14 C13 111(3) . . ?
C84 C14 C13 123.6(19) . . ?
C19 C15 C3 123(2) . . ?
C19 C15 C39 121(2) . . ?
C3 C15 C39 112.3(16) . . ?
C17 C16 C20 125.4(19) . . ?
C17 C16 C9 120.2(16) . . ?
C20 C16 C9 106.9(14) . . ?
C16 C17 C18 117(2) . . ?
C16 C17 C1 117.3(16) . . ?
C18 C17 C1 120(2) . . ?
C17 C18 C22 125(2) . . ?
C17 C18 C19 121(2) . . ?
C22 C18 C19 105.4(13) . . ?
C15 C19 C18 116(2) . . ?
C15 C19 C33 117(2) . . ?
C18 C19 C33 112.0(14) . . ?
C16 C20 C21 115(2) . . ?
C16 C20 C24 105.5(15) . . ?
C21 C20 C24 122.6(17) . . ?
C23 C21 C20 118.0(17) . . ?
C23 C21 C22 111(2) . . ?
C20 C21 C22 125(2) . . ?
C18 C22 C34 108.5(14) . . ?
C18 C22 C21 111(2) . . ?
C34 C22 C21 126(2) . . ?
C21 C23 C27 119.4(17) . . ?
C21 C23 C35 127(2) . . ?
C27 C23 C35 107.4(15) . . ?
C26 C24 C29 116.1(18) . . ?
C26 C24 C20 116.8(16) . . ?
C29 C24 C20 111.8(15) . . ?
C26 C25 C76 112(2) . . ?
C26 C25 C30 121.0(18) . . ?
C76 C25 C30 110.6(11) . . ?
C25 C26 C24 114.4(16) . . ?
C25 C26 C27 126.5(19) . . ?
C24 C26 C27 118.8(16) . . ?
C26 C27 C23 120.3(18) . . ?
C26 C27 C78 109(2) . . ?
C23 C27 C78 109.5(16) . . ?
C30 C28 C29 113.4(16) . . ?
C30 C28 C11 118(2) . . ?
C29 C28 C11 127.7(19) . . ?
C28 C30 C82 128(2) . . ?
C28 C30 C25 119.8(17) . . ?
C82 C30 C25 105.9(10) . . ?
C32 C31 C45 122(2) . . ?
C32 C31 C37 114.2(18) . . ?
C45 C31 C37 109.9(14) . . ?
C31 C32 C38 119(2) . . ?
C31 C32 C33 120(2) . . ?
C38 C32 C33 116(2) . . ?
C36 C34 C33 122(2) . . ?
C36 C34 C22 115(3) . . ?
C33 C34 C22 109.7(14) . . ?
C23 C35 C50 105.7(15) . . ?
C23 C35 C36 117(2) . . ?
C50 C35 C36 118(2) . . ?
C37 C36 C34 116(2) . . ?
C37 C36 C35 121(2) . . ?
C34 C36 C35 120(2) . . ?
C36 C37 C31 127.4(19) . . ?
C36 C37 C52 116(2) . . ?
C31 C37 C52 104.8(14) . . ?
C39 C38 C32 115(2) . . ?
C39 C38 C41 122(3) . . ?
C32 C38 C41 121(2) . . ?
C38 C39 C40 116(3) . . ?
C38 C39 C15 122(3) . . ?
C40 C39 C15 104.8(15) . . ?
C43 C40 C39 126(3) . . ?
C43 C40 C55 101(3) . . ?
C39 C40 C55 109.5(16) . . ?
C42 C41 C38 110(2) . . ?
C42 C41 C46 114(2) . . ?
C38 C41 C46 116(2) . . ?
C43 C42 C62 105.3(16) . . ?
C43 C42 C41 128(2) . . ?
C62 C42 C41 124(2) . . ?
C40 C43 C42 114(2) . . ?
C40 C43 C56 135(2) . . ?
C42 C43 C56 110.4(15) . . ?
C47 C44 C52 128(2) . . ?
C47 C44 C45 117(2) . . ?
C52 C44 C45 108.9(14) . . ?
C46 C45 C44 117(2) . . ?
C46 C45 C31 120(2) . . ?
C44 C45 C31 107.2(14) . . ?
C49 C46 C45 120(3) . . ?
C49 C46 C41 120(2) . . ?
C45 C46 C41 118(2) . . ?
C44 C47 C73 116(2) . . ?
C44 C47 C48 125(3) . . ?
C73 C47 C48 108.6(16) . . ?
C49 C48 C47 119(2) . . ?
C49 C48 C66 124.7(17) . . ?
C47 C48 C66 110.0(15) . . ?
C48 C49 C46 121(2) . . ?
C48 C49 C61 113.7(16) . . ?
C46 C49 C61 124(2) . . ?
C78 C50 C35 110.9(15) . . ?
C78 C50 C51 115.1(18) . . ?
C35 C50 C51 122(2) . . ?
C52 C51 C72 126(2) . . ?
C52 C51 C50 114(2) . . ?
C72 C51 C50 120.6(16) . . ?
C51 C52 C44 109(2) . . ?
C51 C52 C37 126(2) . . ?
C44 C52 C37 109.1(14) . . ?
C56 C54 C53 135(2) . . ?
C56 C54 C58 116(2) . . ?
C53 C54 C58 107.4(15) . . ?
C53 C55 C3 114(2) . . ?
C53 C55 C40 134(2) . . ?
C3 C55 C40 106.9(16) . . ?
C56 C57 C62 108.3(15) . . ?
C56 C57 C60 118(2) . . ?
C62 C57 C60 120(2) . . ?
C5 C58 C59 117(3) . . ?
C5 C58 C54 106.0(17) . . ?
C59 C58 C54 123(3) . . ?
C14 C59 C58 125(3) . . ?
C14 C59 C60 108.1(16) . . ?
C58 C59 C60 117(2) . . ?
C63 C60 C59 110.6(15) . . ?
C63 C60 C57 121(2) . . ?
C59 C60 C57 119(2) . . ?
C62 C61 C49 116(2) . . ?
C62 C61 C64 117(2) . . ?
C49 C61 C64 122.3(16) . . ?
C61 C62 C57 120(2) . . ?
C61 C62 C42 121(3) . . ?
C57 C62 C42 109.6(15) . . ?
C64 C63 C60 115(2) . . ?
C64 C63 C84 132(2) . . ?
C60 C63 C84 103.2(14) . . ?
C63 C64 C67 110(2) . . ?
C63 C64 C61 125(2) . . ?
C67 C64 C61 118.6(17) . . ?
C68 C65 C66 120(3) . . ?
C68 C65 C73 117(3) . . ?
C66 C65 C73 112.3(17) . . ?
C65 C66 C48 103.5(15) . . ?
C65 C66 C67 127(3) . . ?
C48 C66 C67 122.4(18) . . ?
C66 C67 C64 116.1(17) . . ?
C66 C67 C70 113(2) . . ?
C64 C67 C70 129(2) . . ?
C65 C68 C74 124(3) . . ?
C65 C68 C69 121(2) . . ?
C74 C68 C69 106.8(14) . . ?
C83 C69 C68 109.1(15) . . ?
C83 C69 C70 117(2) . . ?
C68 C69 C70 119(2) . . ?
C74 C71 C77 107(2) . . ?
C74 C71 C72 127(2) . . ?
C77 C71 C72 119.2(17) . . ?
C73 C72 C51 115(2) . . ?
C73 C72 C71 108(2) . . ?
C51 C72 C71 118.7(16) . . ?
C72 C73 C47 121(2) . . ?
C72 C73 C65 129(2) . . ?
C47 C73 C65 104.2(16) . . ?
C71 C74 C79 134(2) . . ?
C71 C74 C68 114(2) . . ?
C79 C74 C68 105.4(15) . . ?
C79 C75 C76 131.6(18) . . ?
C79 C75 C82 119.9(16) . . ?
C76 C75 C82 108.4(11) . . ?
C25 C76 C75 104.4(11) . . ?
C25 C76 C77 128(2) . . ?
C75 C76 C77 108(2) . . ?
C71 C77 C78 118.2(17) . . ?
C71 C77 C76 130(2) . . ?
C78 C77 C76 105.1(19) . . ?
C50 C78 C77 123.6(16) . . ?
C50 C78 C27 105.1(14) . . ?
C77 C78 C27 130(2) . . ?
C75 C79 C83 114.5(19) . . ?
C75 C79 C74 105(2) . . ?
C83 C79 C74 109.7(16) . . ?
C83 C80 C81 116.8(16) . . ?
C83 C80 C86 121(2) . . ?
C81 C80 C86 106.7(15) . . ?
C82 C81 C80 118.9(16) . . ?
C82 C81 C10 124(2) . . ?
C80 C81 C10 112.5(15) . . ?
C81 C82 C30 112(2) . . ?
C81 C82 C75 118.4(19) . . ?
C30 C82 C75 105.3(12) . . ?
C69 C83 C79 107.5(15) . . ?
C69 C83 C80 124(2) . . ?
C79 C83 C80 122.8(17) . . ?
C14 C84 C85 117.7(17) . . ?
C14 C84 C63 109.9(15) . . ?
C85 C84 C63 113(2) . . ?
C84 C85 C86 115.6(17) . . ?
C84 C85 C70 123(2) . . ?
C86 C85 C70 120(2) . . ?
C80 C86 C85 119(2) . . ?
C80 C86 C12 105.7(15) . . ?
C85 C86 C12 118.5(18) . . ?
C88 C87 H87A 109.5 . . ?
C88 C87 H87B 109.5 . . ?
H87A C87 H87B 109.5 . . ?
C88 C87 H87C 109.5 . . ?
H87A C87 H87C 109.5 . . ?
H87B C87 H87C 109.5 . . ?
C87 C88 C89 111.5(7) . . ?
C87 C88 H88A 109.3 . . ?
C89 C88 H88A 109.3 . . ?
C87 C88 H88B 109.3 . . ?
C89 C88 H88B 109.3 . . ?
H88A C88 H88B 108.0 . . ?
C89 C89 C90 108.6(5) 6_565 . ?
C89 C89 C88 130.0(5) 6_565 . ?
C90 C89 C88 121.4(7) . . ?
C89 C90 C91 125.4(8) . . ?
C89 C90 N1 110.6(7) . . ?
C91 C90 N1 124.0(8) . . ?
C92 C91 C90 123.6(9) . . ?
C92 C91 H91 118.2 . . ?
C90 C91 H91 118.2 . . ?
C91 C92 N2 126.1(8) . . ?
C91 C92 C93 124.9(9) . . ?
N2 C92 C93 108.9(8) . . ?
C96 C93 C92 108.9(9) . . ?
C96 C93 C94 128.5(9) . . ?
C92 C93 C94 122.6(9) . . ?
C95 C94 C93 113.2(7) . . ?
C95 C94 H94A 108.9 . . ?
C93 C94 H94A 108.9 . . ?
C95 C94 H94B 108.9 . . ?
C93 C94 H94B 108.9 . . ?
H94A C94 H94B 107.7 . . ?
C94 C95 H95A 109.5 . . ?
C94 C95 H95B 109.5 . . ?
H95A C95 H95B 109.5 . . ?
C94 C95 H95C 109.5 . . ?
H95A C95 H95C 109.5 . . ?
H95B C95 H95C 109.5 . . ?
C93 C96 C99 107.3(9) . . ?
C93 C96 C97 131.0(9) . . ?
C99 C96 C97 121.7(10) . . ?
C98 C97 C96 112.6(7) . . ?
C98 C97 H97A 109.1 . . ?
C96 C97 H97A 109.1 . . ?
C98 C97 H97B 109.1 . . ?
C96 C97 H97B 109.1 . . ?
H97A C97 H97B 107.8 . . ?
C97 C98 H98A 109.5 . . ?
C97 C98 H98B 109.5 . . ?
H98A C98 H98B 109.5 . . ?
C97 C98 H98C 109.5 . . ?
H98A C98 H98C 109.5 . . ?
H98B C98 H98C 109.5 . . ?
N2 C99 C100 128.3(8) . . ?
N2 C99 C96 108.6(8) . . ?
C100 C99 C96 123.0(9) . . ?
C101 C100 C99 118.4(9) . . ?
C101 C100 H100 120.8 . . ?
C99 C100 H100 120.8 . . ?
N3 C101 C100 129.9(9) . . ?
N3 C101 C102 110.6(9) . . ?
C100 C101 C102 119.5(9) . . ?
C102 C102 C101 106.2(5) 6_565 . ?
C102 C102 C103 129.7(5) 6_565 . ?
C101 C102 C103 124.0(8) . . ?
C102 C103 C104 113.2(7) . . ?
C102 C103 H10A 108.9 . . ?
C104 C103 H10A 108.9 . . ?
C102 C103 H10B 108.9 . . ?
C104 C103 H10B 108.9 . . ?
H10A C103 H10B 107.8 . . ?
C103 C104 H10C 109.5 . . ?
C103 C104 H10D 109.5 . . ?
H10C C104 H10D 109.5 . . ?
C103 C104 H10E 109.5 . . ?
H10C C104 H10E 109.5 . . ?
H10D C104 H10E 109.5 . . ?
C106 C105 H105 118.6 . . ?
C106 C105 H105 118.6 2_757 . ?
C105 C106 N4 125.9(13) . . ?
C105 C106 C107 122.9(11) . . ?
N4 C106 C107 111.3(11) . . ?
C110 C107 C106 105.9(10) . . ?
C110 C107 C108 129.9(13) . . ?
C106 C107 C108 124.2(12) . . ?
C107 C108 C109 110.9(9) . . ?
C107 C108 H10F 109.5 . . ?
C109 C108 H10F 109.5 . . ?
C107 C108 H10G 109.5 . . ?
C109 C108 H10G 109.5 . . ?
H10F C108 H10G 108.0 . . ?
C108 C109 H10H 109.5 . . ?
C108 C109 H10I 109.5 . . ?
H10H C109 H10I 109.5 . . ?
C108 C109 H10J 109.5 . . ?
H10H C109 H10J 109.5 . . ?
H10I C109 H10J 109.5 . . ?
C107 C110 C113 107.0(12) . . ?
C107 C110 C111 130.6(12) . . ?
C113 C110 C111 122.4(12) . . ?
C112 C111 C110 110.0(12) . . ?
C112 C111 H11A 109.7 . . ?
C110 C111 H11A 109.7 . . ?
C112 C111 H11B 109.7 . . ?
C110 C111 H11B 109.7 . . ?
H11A C111 H11B 108.2 . . ?
C111 C112 H11C 109.5 . . ?
C111 C112 H11D 109.5 . . ?
H11C C112 H11D 109.5 . . ?
C111 C112 H11E 109.5 . . ?
H11C C112 H11E 109.5 . . ?
H11D C112 H11E 109.5 . . ?
N4 C113 C114 126.5(13) . . ?
N4 C113 C110 110.6(11) . . ?
C114 C113 C110 122.9(14) . . ?
C113 C114 H114 118.7 . . ?
C113 C114 H114 118.7 6_565 . ?
C90 N1 Ni1 129.1(5) . . ?
C90 N1 Ni1 129.1(5) 6_565 . ?
C92 N2 C99 106.3(7) . . ?
C92 N2 Ni1 126.9(6) . . ?
C99 N2 Ni1 126.7(6) . . ?
C101 N3 C101 106.2(11) 6_565 . ?
C101 N3 Ni1 126.8(5) 6_565 . ?
C101 N3 Ni1 126.8(5) . . ?
C113 N4 C106 105.2(10) . . ?
C113 N4 Ni2 127.2(8) . . ?
C106 N4 Ni2 127.6(9) . . ?
N1 Ni1 N2 90.2(2) . . ?
N1 Ni1 N3 180.0(4) . . ?
N2 Ni1 N3 89.8(2) . . ?
N2 Ni1 N3 89.8(2) 6_565 . ?
Eu1 Eu1 Eu2 88.1(6) 6_565 . ?
Eu1 Eu1 Eu3 88.8(4) 6_565 . ?
Eu2 Eu1 Eu3 69.7(7) . . ?
Eu2 Eu1 Eu3 73.5(6) 6_565 . ?
Eu1 Eu1 Eu4 74.7(3) 6_565 . ?
Eu2 Eu1 Eu4 70.3(7) . . ?
Eu2 Eu1 Eu4 65.1(5) 6_565 . ?
Eu3 Eu1 Eu4 14.12(14) . . ?
Eu1 Eu1 Eu3 59.4(4) 6_565 6_565 ?
Eu2 Eu1 Eu3 71.6(6) . 6_565 ?
Eu2 Eu1 Eu3 56.6(5) 6_565 6_565 ?
Eu3 Eu1 Eu3 29.4(2) . 6_565 ?
Eu4 Eu1 Eu3 15.30(12) . 6_565 ?
Eu2 Eu2 Eu1 91.9(6) 6_565 . ?
Eu2 Eu2 Eu3 90.2(3) 6_565 . ?
Eu1 Eu2 Eu3 67.4(7) . . ?
Eu1 Eu2 Eu3 72.6(5) 6_565 . ?
Eu2 Eu2 Eu4 75.8(3) 6_565 . ?
Eu1 Eu2 Eu4 72.3(7) . . ?
Eu1 Eu2 Eu4 66.6(5) 6_565 . ?
Eu3 Eu2 Eu4 14.93(13) . . ?
Eu2 Eu2 Eu3 60.9(3) 6_565 6_565 ?
Eu1 Eu2 Eu3 71.4(6) . 6_565 ?
Eu1 Eu2 Eu3 55.5(5) 6_565 6_565 ?
Eu3 Eu2 Eu3 29.4(2) . 6_565 ?
Eu4 Eu2 Eu3 15.35(11) . 6_565 ?
Eu4 Eu3 Eu3 22.6(7) . 6_565 ?
Eu4 Eu3 Eu1 113.7(8) . . ?
Eu3 Eu3 Eu1 91.2(4) 6_565 . ?
Eu4 Eu3 Eu2 107.2(8) . . ?
Eu3 Eu3 Eu2 89.8(3) 6_565 . ?
Eu1 Eu3 Eu2 42.9(4) . . ?
Eu4 Eu3 C53 62.5(7) . . ?
Eu3 Eu3 C53 75.91(12) 6_565 . ?
Eu1 Eu3 C53 124.6(6) . . ?
Eu2 Eu3 C53 161.6(4) . . ?
Eu1 Eu3 C53 111.1(5) 6_565 . ?
C53 Eu3 Eu2 135.3(3) . 6_565 ?
Eu3 Eu4 Eu3 134.8(13) 6_565 . ?
Eu3 Eu4 C53 102.5(7) 6_565 . ?
Eu3 Eu4 C53 102.5(7) . . ?
C53 Eu4 Eu1 119.7(6) . 6_565 ?
Eu3 Eu4 Eu1 82.7(8) 6_565 . ?
Eu3 Eu4 Eu1 52.1(7) . . ?
C53 Eu4 Eu1 119.7(6) . . ?
Eu1 Eu4 Eu1 30.6(7) 6_565 . ?
C53 Eu4 Eu2 155.3(5) . 6_565 ?
Eu3 Eu4 Eu2 85.5(8) 6_565 . ?
Eu3 Eu4 Eu2 57.9(7) . . ?
C53 Eu4 Eu2 155.3(5) . . ?
Eu1 Eu4 Eu2 48.3(4) 6_565 . ?
Eu1 Eu4 Eu2 37.3(4) . . ?
Eu2 Eu4 Eu2 28.4(5) 6_565 . ?

_refine_diff_density_max         0.935
_refine_diff_density_min         -0.796
_refine_diff_density_rms         0.101



####################################################################### 
# 
# 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_lb160
_database_code_depnum_ccdc_archive 'CCDC 1578321'
_audit_update_record             
;
2018-09-16 deposited with the CCDC.
2018-12-17 downloaded from the CCDC.
;

_vrf_PLAT308_lb160               
;
PROBLEM: Single Bonded Metal Atom in Structure (Unusual) Eu1 Check
RESPONSE: This is an endohedral Eu atom.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        'Eu@C2(13)-C80 Ni(OEP)'
_chemical_name_common            'Eu@C2(13)-C80 Ni(OEP)'
_chemical_melting_point          ?
_chemical_formula_moiety         'Eu C84, C36 H44 N4 Ni, 1.61(C6 H6) 0.39(C S2)'
_chemical_formula_sum            'C130.05 H53.66 Eu N4 Ni S0.78'
_chemical_formula_weight         1907.70

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0027 0.0014 '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 0.0053 0.0028 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1098 0.1057 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3436 0.9622 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1666 3.2045 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_H-M_alt        'C 2/m'
_space_group_name_Hall           '-C 2y'

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

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

_cell_length_a                   25.3346(8)
_cell_length_b                   15.1339(5)
_cell_length_c                   19.9751(6)
_cell_angle_alpha                90
_cell_angle_beta                 95.6590(10)
_cell_angle_gamma                90
_cell_volume                     7621.4(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9616
_cell_measurement_theta_min      2.429
_cell_measurement_theta_max      25.493

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.663
_exptl_crystal_F_000             3862
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.310
_exptl_crystal_size_mid          0.270
_exptl_crystal_size_min          0.240
_exptl_absorpt_coefficient_mu    0.915
_shelx_estimated_absorpt_T_min   0.765
_shelx_estimated_absorpt_T_max   0.810
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.6747
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   SADABS
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.6525
_diffrn_radiation_type           synchrotron
_diffrn_source                   'SSRF, Beamline B17B1'
_diffrn_measurement_device_type  'CCD MX-300'
_diffrn_measurement_method       'phi scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            66126
_diffrn_reflns_av_unetI/netI     0.0383
_diffrn_reflns_av_R_equivalents  0.0803
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         0.940
_diffrn_reflns_theta_max         25.501
_diffrn_reflns_theta_full        23.048
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             9504
_reflns_number_gt                8497
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1101P)²+57.0462P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9504
_refine_ls_number_parameters     1062
_refine_ls_number_restraints     1744
_refine_ls_R_factor_all          0.0979
_refine_ls_R_factor_gt           0.0905
_refine_ls_wR_factor_ref         0.2371
_refine_ls_wR_factor_gt          0.2303
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_restrained_S_all      1.097
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.6950(6) 0.500000 0.4816(4) 0.103(3) Uani 1 2 d DS TU P . .
C20 C 0.5605(4) 0.500000 0.5438(5) 0.081(3) Uani 1 2 d S TU P . .
C2 C 0.7318(7) 0.4297(11) 0.4966(9) 0.101(4) Uani 0.5 1 d D U P A -1
C3 C 0.6998(7) 0.3557(11) 0.5148(8) 0.080(5) Uani 0.5 1 d D U P A -1
C4 C 0.6461(7) 0.3829(9) 0.5078(7) 0.066(4) Uani 0.5 1 d D U P A -1
C5 C 0.6420(5) 0.4737(7) 0.4874(4) 0.070(4) Uani 0.5 1 d D U P A -1
C6 C 0.5989(6) 0.5292(8) 0.5091(5) 0.069(3) Uani 0.5 1 d . U P A -1
C7 C 0.6149(9) 0.6242(12) 0.5216(7) 0.071(4) Uani 0.5 1 d . U P A -1
C8 C 0.6709(9) 0.6510(11) 0.5152(7) 0.062(4) Uani 0.5 1 d . U P A -1
C9 C 0.7089(11) 0.5873(14) 0.4971(10) 0.103(4) Uani 0.5 1 d . U P A -1
C10 C 0.7658(7) 0.5983(11) 0.5225(7) 0.092(5) Uani 0.5 1 d D U P A -1
C11 C 0.8027(8) 0.5261(11) 0.5389(10) 0.119(7) Uani 0.5 1 d D U P A -1
C12 C 0.7823(10) 0.4419(18) 0.5288(12) 0.123(7) Uani 0.5 1 d D U P A -1
C13 C 0.8082(7) 0.3810(11) 0.5770(8) 0.113(6) Uani 0.5 1 d D U P A -1
C14 C 0.7734(6) 0.3087(10) 0.5904(7) 0.072(4) Uani 0.5 1 d D U P A -1
C15 C 0.7186(8) 0.2973(12) 0.5616(11) 0.076(5) Uani 0.5 1 d . U P A -1
C16 C 0.6848(7) 0.2581(9) 0.6010(10) 0.067(4) Uani 0.5 1 d . U P A -1
C17 C 0.6270(8) 0.2781(14) 0.5962(11) 0.064(5) Uani 0.5 1 d . U P A -1
C18 C 0.6083(8) 0.3457(12) 0.5483(9) 0.064(4) Uani 0.5 1 d . U P A -1
C19 C 0.5649(6) 0.4032(10) 0.5655(8) 0.072(4) Uani 0.5 1 d . U P A -1
C21 C 0.5378(5) 0.5434(10) 0.5945(7) 0.068(3) Uani 0.5 1 d . U P A -1
C22 C 0.5478(7) 0.6288(12) 0.6054(9) 0.067(4) Uani 0.5 1 d . U P A -1
C23 C 0.5854(7) 0.6703(13) 0.5655(8) 0.069(4) Uani 0.5 1 d . U P A -1
C24 C 0.6091(7) 0.7371(13) 0.6050(9) 0.064(4) Uani 0.5 1 d D U P A -1
C25 C 0.6618(6) 0.7636(10) 0.6019(6) 0.072(4) Uani 0.5 1 d D U P A -1
C26 C 0.6932(7) 0.7216(12) 0.5561(7) 0.081(5) Uani 0.5 1 d D U P A -1
C27 C 0.7465(6) 0.7283(9) 0.5863(6) 0.097(5) Uani 0.5 1 d D U P A -1
C28 C 0.7824(7) 0.6641(10) 0.5701(7) 0.107(6) Uani 0.5 1 d D U P A -1
C29 C 0.8215(7) 0.6341(11) 0.6226(7) 0.104(6) Uani 0.5 1 d D U P A -1
C30 C 0.8365(6) 0.5498(10) 0.5981(9) 0.103(5) Uani 0.5 1 d D U P A -1
C31 C 0.8561(6) 0.487(3) 0.6542(10) 0.112(7) Uani 0.5 1 d . U P A -1
C32 C 0.8430(6) 0.3995(11) 0.6380(10) 0.100(6) Uani 0.5 1 d D U P A -1
C33 C 0.7437(5) 0.4786(9) 0.9019(5) 0.084(5) Uani 0.5 1 d D U P A -1
C34 C 0.7845(4) 0.2788(6) 0.6580(5) 0.053(2) Uani 0.5 1 d D U P A -1
C35 C 0.7489(6) 0.2467(8) 0.7026(7) 0.070(3) Uani 0.5 1 d D U P A -1
C36 C 0.6992(9) 0.2333(11) 0.6791(11) 0.080(5) Uani 0.5 1 d . U P A -1
C37 C 0.6487(8) 0.2442(9) 0.7063(9) 0.073(4) Uani 0.5 1 d . U P A -1
C38 C 0.6064(8) 0.2732(12) 0.6595(10) 0.069(4) Uani 0.5 1 d . U P A -1
C39 C 0.5621(17) 0.332(2) 0.6811(15) 0.055(5) Uani 0.5 1 d . U P A -1
C40 C 0.5450(6) 0.4005(12) 0.6284(9) 0.065(4) Uani 0.5 1 d . U P A -1
C41 C 0.5306(4) 0.4842(16) 0.6513(6) 0.068(5) Uani 0.5 1 d . U P A -1
C42 C 0.5410(4) 0.5159(16) 0.7147(6) 0.063(5) Uani 0.5 1 d . U P A -1
C43 C 0.5553(5) 0.6039(10) 0.7283(6) 0.054(3) Uani 0.5 1 d . U P A -1
C44 C 0.5593(19) 0.657(3) 0.6671(18) 0.074(7) Uani 0.5 1 d . U P A -1
C45 C 0.5878(6) 0.7320(15) 0.6725(10) 0.070(5) Uani 0.5 1 d D U P A -1
C46 C 0.6203(5) 0.7527(8) 0.7262(5) 0.060(3) Uani 0.5 1 d D U P A -1
C47 C 0.6748(5) 0.7822(8) 0.7227(5) 0.067(3) Uani 0.5 1 d D U P A -1
C48 C 0.6948(5) 0.7853(12) 0.6609(5) 0.080(5) Uani 0.5 1 d D U P A -1
C49 C 0.7476(5) 0.7609(8) 0.6526(5) 0.087(4) Uani 0.5 1 d D U P A -1
C50 C 0.7826(5) 0.7268(7) 0.7083(6) 0.086(4) Uani 0.5 1 d D U P A -1
C51 C 0.8294(7) 0.3313(13) 0.6839(8) 0.083(5) Uani 0.5 1 d D U P A -1
C52 C 0.8427(8) 0.6036(17) 0.7429(11) 0.094(6) Uani 0.5 1 d D U P A -1
C53 C 0.8606(5) 0.505(2) 0.7228(9) 0.105(5) Uani 0.5 1 d D U P A -1
C54 C 0.8559(5) 0.4443(14) 0.7705(9) 0.084(5) Uani 0.5 1 d D U P A -1
C55 C 0.8361(6) 0.3536(11) 0.7487(8) 0.077(4) Uani 0.5 1 d D U P A -1
C56 C 0.8199(8) 0.6597(14) 0.6919(8) 0.099(7) Uani 0.5 1 d D U P A -1
C57 C 0.7995(7) 0.3209(12) 0.7950(8) 0.084(5) Uani 0.5 1 d D U P A -1
C58 C 0.7553(12) 0.270(2) 0.7710(11) 0.088(7) Uani 0.5 1 d D U P A -1
C59 C 0.7053(7) 0.2844(9) 0.8105(7) 0.077(4) Uani 0.5 1 d D U P A -1
C60 C 0.6536(7) 0.2767(10) 0.7775(8) 0.091(4) Uani 0.5 1 d D U P A -1
C61 C 0.6122(6) 0.3278(10) 0.7961(8) 0.083(4) Uani 0.5 1 d D U P A -1
C62 C 0.5703(6) 0.3608(8) 0.7470(7) 0.068(4) Uani 0.5 1 d D U P A -1
C63 C 0.5602(4) 0.4488(7) 0.7659(5) 0.054(2) Uani 0.5 1 d D U P A -1
C64 C 0.5920(4) 0.4755(7) 0.8235(6) 0.062(4) Uani 0.5 1 d D U P A -1
C65 C 0.6144(6) 0.5605(10) 0.8376(6) 0.063(3) Uani 0.5 1 d D U P A -1
C66 C 0.5912(6) 0.6286(10) 0.7885(6) 0.066(3) Uani 0.5 1 d . U P A -1
C67 C 0.6228(5) 0.7055(9) 0.7879(6) 0.057(3) Uani 0.5 1 d D U P A -1
C68 C 0.6767(4) 0.7117(8) 0.8219(5) 0.050(3) Uani 0.5 1 d D U P A -1
C69 C 0.7096(4) 0.7549(6) 0.7779(5) 0.047(2) Uani 0.5 1 d D U P A -1
C70 C 0.7625(7) 0.7276(16) 0.7757(9) 0.052(4) Uani 0.5 1 d D U P A -1
C71 C 0.7842(5) 0.6690(11) 0.8244(9) 0.057(3) Uani 0.5 1 d . U P A -1
C72 C 0.8271(5) 0.6088(11) 0.8055(8) 0.074(4) Uani 0.5 1 d D U P A -1
C73 C 0.8212(8) 0.5323(14) 0.8530(9) 0.086(5) Uani 0.5 1 d D U P A -1
C74 C 0.8366(9) 0.4575(17) 0.8277(11) 0.100(6) Uani 0.5 1 d D U P A -1
C75 C 0.8021(10) 0.3798(16) 0.8462(8) 0.089(5) Uani 0.5 1 d . U P A -1
C76 C 0.7575(7) 0.3907(10) 0.8821(9) 0.074(6) Uani 0.5 1 d D U P A -1
C77 C 0.7096(7) 0.3464(10) 0.8606(10) 0.063(3) Uani 0.5 1 d D U P A -1
C78 C 0.6684(6) 0.4051(12) 0.8785(11) 0.082(4) Uani 0.5 1 d D U P A -1
C79 C 0.6215(5) 0.3964(9) 0.8448(7) 0.081(4) Uani 0.5 1 d D U P A -1
C80 C 0.6625(6) 0.5718(9) 0.8759(7) 0.056(4) Uani 0.5 1 d D U P A -1
C81 C 0.6984(6) 0.6455(11) 0.8687(11) 0.063(3) Uani 0.5 1 d D U P A -1
C82 C 0.7533(8) 0.6322(14) 0.8653(9) 0.064(4) Uani 0.5 1 d D U P A -1
C83 C 0.7762(6) 0.5427(12) 0.8871(6) 0.076(4) Uani 0.5 1 d . U P A -1
C84 C 0.6876(5) 0.4905(12) 0.8968(5) 0.062(4) Uani 0.5 1 d D . P A -1
N1 N 0.57645(14) 0.500000 0.99086(17) 0.0168(7) Uani 1 2 d S T P B 2
Ni1 Ni 0.51820(2) 0.500000 0.91883(3) 0.01385(16) Uani 1 2 d S T P B 2
N2 N 0.51930(9) 0.63015(17) 0.91753(12) 0.0155(5) Uani 1 1 d . . . B 2
N3 N 0.46190(14) 0.500000 0.84423(18) 0.0173(7) Uani 1 2 d S T P B 2
C85 C 0.40567(16) 0.6474(3) 0.65734(18) 0.0350(8) Uani 1 1 d . . . B 2
H85A H 0.435111 0.679833 0.681543 0.053 Uiso 1 1 calc R U . B 2
H85B H 0.384389 0.687881 0.627416 0.053 Uiso 1 1 calc R U . B 2
H85C H 0.419777 0.600108 0.630680 0.053 Uiso 1 1 calc R U . B 2
C86 C 0.37102(14) 0.6073(3) 0.70773(17) 0.0290(7) Uani 1 1 d . . . B 2
H86A H 0.355897 0.655602 0.733308 0.035 Uiso 1 1 calc R U . B 2
H86B H 0.341162 0.575272 0.682870 0.035 Uiso 1 1 calc R U . B 2
C87 C 0.40058(12) 0.5451(2) 0.75615(16) 0.0221(6) Uani 1 1 d . . . B 2
C88 C 0.43834(12) 0.5720(2) 0.81152(15) 0.0188(6) Uani 1 1 d . . . B 2
C89 C 0.44972(12) 0.6587(2) 0.82665(15) 0.0195(6) Uani 1 1 d . . . B 2
H89 H 0.429679 0.702886 0.801740 0.023 Uiso 1 1 calc R U . B 2
C90 C 0.48840(11) 0.6859(2) 0.87571(15) 0.0179(6) Uani 1 1 d . . . B 2
C91 C 0.50217(12) 0.7774(2) 0.88837(17) 0.0226(6) Uani 1 1 d . . . B 2
C92 C 0.47770(15) 0.8539(2) 0.8493(2) 0.0318(8) Uani 1 1 d . . . B 2
H92A H 0.484539 0.908641 0.875952 0.038 Uiso 1 1 calc R U . B 2
H92B H 0.438821 0.845235 0.842366 0.038 Uiso 1 1 calc R U . B 2
C93 C 0.49915(18) 0.8655(3) 0.7809(2) 0.0433(10) Uani 1 1 d . . . B 2
H93A H 0.537700 0.873502 0.787346 0.065 Uiso 1 1 calc R U . B 2
H93B H 0.482743 0.917488 0.758182 0.065 Uiso 1 1 calc R U . B 2
H93C H 0.490738 0.812876 0.753267 0.065 Uiso 1 1 calc R U . B 2
C94 C 0.54195(12) 0.7773(2) 0.93962(17) 0.0218(6) Uani 1 1 d . . . B 2
C95 C 0.57211(13) 0.8538(2) 0.97205(19) 0.0280(7) Uani 1 1 d . . . B 2
H95A H 0.577359 0.843942 1.021256 0.034 Uiso 1 1 calc R U . B 2
H95B H 0.550775 0.908250 0.963950 0.034 Uiso 1 1 calc R U . B 2
C96 C 0.62631(16) 0.8673(3) 0.9455(2) 0.0395(9) Uani 1 1 d . . . B 2
H96A H 0.647806 0.813845 0.953814 0.059 Uiso 1 1 calc R U . B 2
H96B H 0.644430 0.917475 0.968756 0.059 Uiso 1 1 calc R U . B 2
H96C H 0.621350 0.879199 0.897101 0.059 Uiso 1 1 calc R U . B 2
C97 C 0.55186(11) 0.6858(2) 0.95669(15) 0.0176(6) Uani 1 1 d . . . B 2
C98 C 0.59082(11) 0.6588(2) 1.00568(15) 0.0179(5) Uani 1 1 d . . . B 2
H98 H 0.610794 0.703041 1.030590 0.022 Uiso 1 1 calc R U . B 2
C99 C 0.60253(11) 0.5716(2) 1.02067(14) 0.0161(5) Uani 1 1 d . . . B 2
C100 C 0.64552(11) 0.5447(2) 1.06935(14) 0.0185(6) Uani 1 1 d . . . B 2
C101 C 0.68425(12) 0.6068(2) 1.10668(16) 0.0234(6) Uani 1 1 d . . . B 2
H10A H 0.700720 0.577134 1.147728 0.028 Uiso 1 1 calc R U . B 2
H10B H 0.664994 0.659423 1.120827 0.028 Uiso 1 1 calc R U . B 2
C102 C 0.72770(14) 0.6361(3) 1.06366(19) 0.0339(8) Uani 1 1 d . . . B 2
H10C H 0.746222 0.584047 1.048513 0.051 Uiso 1 1 calc R U . B 2
H10D H 0.753011 0.674166 1.090392 0.051 Uiso 1 1 calc R U . B 2
H10E H 0.711755 0.668942 1.024474 0.051 Uiso 1 1 calc R U . B 2
C103 C 0.7887(3) 0.500000 0.3352(3) 0.0512(17) Uani 1 2 d S T P C 2
H103 H 0.763803 0.500000 0.367730 0.061 Uiso 1 2 calc R U P C 2
C104 C 0.7727(3) 0.500000 0.2671(3) 0.0442(14) Uani 1 2 d S T P C 2
H104 H 0.735833 0.500000 0.252515 0.053 Uiso 1 2 calc R U P C 2
C105 C 0.8090(3) 0.500000 0.2191(3) 0.0408(13) Uani 1 2 d S T P C 2
H105 H 0.796933 0.500000 0.172541 0.049 Uiso 1 2 calc R U P C 2
C106 C 0.8620(3) 0.500000 0.2396(4) 0.0470(15) Uani 1 2 d S T P C 2
H106 H 0.886897 0.500000 0.206952 0.056 Uiso 1 2 calc R U P C 2
C107 C 0.8797(3) 0.500000 0.3063(5) 0.075(3) Uani 1 2 d S T P C 2
H107 H 0.916761 0.500000 0.319793 0.090 Uiso 1 2 calc R U P C 2
C108 C 0.8444(4) 0.500000 0.3542(4) 0.078(3) Uani 1 2 d S T P C 2
H108 H 0.857184 0.500000 0.400524 0.094 Uiso 1 2 calc R U P C 2
Eu1 Eu 0.67079(6) 0.58659(8) 0.64106(6) 0.0457(3) Uani 0.1787 1 d . U P A 3
Eu2 Eu 0.66248(13) 0.5892(2) 0.7133(2) 0.0829(9) Uani 0.124 1 d . U P A 3
Eu3 Eu 0.6378(2) 0.5420(5) 0.6511(3) 0.0826(16) Uani 0.0646 1 d . U P A 3
Eu4 Eu 0.6969(4) 0.6007(6) 0.7414(5) 0.084(2) Uani 0.0452 1 d . U P A 3
Eu5 Eu 0.6989(5) 0.5134(12) 0.5958(6) 0.055(3) Uiso 0.0186 1 d . U P A 3
Eu6 Eu 0.7431(6) 0.500000 0.6273(7) 0.145(4) Uiso 0.08 2 d S . P A 3
Eu7 Eu 0.6924(5) 0.5378(8) 0.7689(6) 0.063(2) Uiso 0.029 1 d . . P A 3
C109 C 0.9735(9) 0.6349(19) 0.5587(11) 0.157(10) Uani 0.61 1 d D U P D 4
H109 H 0.955765 0.657913 0.594691 0.188 Uiso 0.61 1 calc R U P D 4
C110 C 0.9484(7) 0.6114(18) 0.4958(12) 0.177(8) Uani 0.61 1 d D U P D 4
H110 H 0.913131 0.589263 0.491621 0.213 Uiso 0.61 1 calc R U P D 4
C111 C 0.9761(8) 0.6211(16) 0.4387(11) 0.175(9) Uani 0.61 1 d D U P D 4
H111 H 0.956658 0.617238 0.395640 0.210 Uiso 0.61 1 calc R U P D 4
S1 S 0.9669(6) 0.6556(13) 0.5578(6) 0.235(10) Uani 0.39 1 d D . P E 5
C112 C 1.000000 0.667(2) 0.500000 0.078(7) Uani 0.39 2 d DS T P E 5


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C9 1.39(2) . ?
C1 C5 1.417(12) . ?
C1 C2 1.426(13) . ?
C1 Eu5 2.282(15) . ?
C1 Eu5 2.282(15) 6_565 ?
C1 Eu6 3.042(17) . ?
C20 C6 1.326(17) . ?
C20 C21 1.379(17) . ?
C20 C19 1.529(16) . ?
C20 Eu3 2.830(10) 6_565 ?
C20 Eu3 2.830(10) . ?
C2 C12 1.39(2) . ?
C2 C3 1.450(14) . ?
C3 C15 1.34(3) . ?
C3 C4 1.416(13) . ?
C4 C18 1.43(3) . ?
C4 C5 1.435(12) . ?
C5 C6 1.475(17) . ?
C6 C7 1.51(2) . ?
C7 C23 1.39(2) . ?
C7 C8 1.49(3) . ?
C8 C26 1.43(3) . ?
C8 C9 1.43(3) . ?
C9 C10 1.49(3) . ?
C10 C28 1.414(13) . ?
C10 C11 1.454(14) . ?
C11 C12 1.38(3) . ?
C11 C30 1.435(14) . ?
C12 C13 1.443(19) . ?
C13 C14 1.446(13) . ?
C13 C32 1.460(14) . ?
C14 C34 1.427(12) . ?
C14 C15 1.46(2) . ?
C15 C16 1.36(3) . ?
C16 C17 1.49(3) . ?
C16 C36 1.61(3) . ?
C17 C38 1.42(3) . ?
C17 C18 1.45(3) . ?
C18 C19 1.47(2) . ?
C19 C40 1.40(2) . ?
C21 C22 1.33(2) . ?
C21 C41 1.47(2) . ?
C22 C44 1.31(4) . ?
C22 C23 1.44(3) . ?
C23 C24 1.38(3) . ?
C24 C25 1.40(2) . ?
C24 C45 1.50(3) . ?
C25 C48 1.416(12) . ?
C25 C26 1.419(13) . ?
C26 C27 1.428(13) . ?
C27 C28 1.390(12) . ?
C27 C49 1.411(12) . ?
C28 C29 1.443(13) . ?
C29 C30 1.431(13) . ?
C29 C56 1.442(13) . ?
C30 C31 1.52(3) . ?
C31 C32 1.39(4) . ?
C31 C53 1.39(3) . ?
C32 C51 1.445(13) . ?
C33 C83 1.33(2) . ?
C33 C84 1.426(12) . ?
C33 C76 1.441(13) . ?
C34 C35 1.415(15) . ?
C34 C51 1.440(11) . ?
C35 C36 1.31(2) . ?
C35 C58 1.408(19) . ?
C36 C37 1.45(3) . ?
C37 C38 1.42(3) . ?
C37 C60 1.50(2) . ?
C38 C39 1.53(5) . ?
C39 C62 1.38(3) . ?
C39 C40 1.51(3) . ?
C40 C41 1.41(3) . ?
C41 C42 1.355(19) . ?
C42 C43 1.40(3) . ?
C42 C63 1.49(2) . ?
C43 C44 1.47(4) . ?
C43 C66 1.482(19) . ?
C44 C45 1.34(5) . ?
C45 C46 1.32(2) . ?
C46 C67 1.422(12) . ?
C46 C47 1.461(12) . ?
C47 C48 1.381(11) . ?
C47 C69 1.404(11) . ?
C48 C49 1.413(13) . ?
C49 C50 1.448(12) . ?
C50 C56 1.446(13) . ?
C50 C70 1.49(2) . ?
C51 C55 1.333(17) . ?
C52 C72 1.349(18) . ?
C52 C56 1.41(3) . ?
C52 C53 1.62(4) . ?
C53 C54 1.34(2) . ?
C54 C74 1.30(3) . ?
C54 C55 1.51(3) . ?
C55 C57 1.460(18) . ?
C57 C75 1.35(3) . ?
C57 C58 1.40(2) . ?
C58 C59 1.57(3) . ?
C59 C77 1.368(17) . ?
C59 C60 1.411(17) . ?
C60 C61 1.384(17) . ?
C61 C79 1.426(12) . ?
C61 C62 1.460(13) . ?
C62 C63 1.414(12) . ?
C63 C64 1.399(12) . ?
C64 C65 1.422(19) . ?
C64 C79 1.453(12) . ?
C65 C80 1.39(2) . ?
C65 C66 1.501(16) . ?
C66 C67 1.41(2) . ?
C67 C68 1.465(12) . ?
C68 C69 1.429(11) . ?
C68 C81 1.442(14) . ?
C69 C70 1.41(2) . ?
C70 C71 1.39(2) . ?
C71 C82 1.31(3) . ?
C71 C72 1.50(2) . ?
C72 C73 1.51(3) . ?
C73 C74 1.313(17) . ?
C73 C83 1.39(2) . ?
C74 C75 1.53(4) . ?
C75 C76 1.41(3) . ?
C76 C77 1.416(13) . ?
C77 C78 1.442(12) . ?
C78 C79 1.314(15) . ?
C78 C84 1.416(14) . ?
C80 C84 1.428(16) . ?
C80 C81 1.454(16) . ?
C81 C82 1.416(16) . ?
C82 C83 1.52(2) . ?
N1 C99 1.374(3) . ?
N1 C99 1.374(3) 6_565 ?
N1 Ni1 1.957(4) . ?
Ni1 N3 1.959(4) . ?
Ni1 N2 1.970(3) 6_565 ?
Ni1 N2 1.970(3) . ?
N2 C97 1.369(4) . ?
N2 C90 1.376(4) . ?
N3 C88 1.376(4) . ?
N3 C88 1.376(4) 6_565 ?
C85 C86 1.525(5) . ?
C85 H85A 0.9800 . ?
C85 H85B 0.9800 . ?
C85 H85C 0.9800 . ?
C86 C87 1.496(4) . ?
C86 H86A 0.9900 . ?
C86 H86B 0.9900 . ?
C87 C87 1.367(7) 6_565 ?
C87 C88 1.447(4) . ?
C88 C89 1.371(4) . ?
C89 C90 1.378(4) . ?
C89 H89 0.9500 . ?
C90 C91 1.445(4) . ?
C91 C94 1.364(4) . ?
C91 C92 1.496(4) . ?
C92 C93 1.530(6) . ?
C92 H92A 0.9900 . ?
C92 H92B 0.9900 . ?
C93 H93A 0.9800 . ?
C93 H93B 0.9800 . ?
C93 H93C 0.9800 . ?
C94 C97 1.442(4) . ?
C94 C95 1.499(4) . ?
C95 C96 1.534(5) . ?
C95 H95A 0.9900 . ?
C95 H95B 0.9900 . ?
C96 H96A 0.9800 . ?
C96 H96B 0.9800 . ?
C96 H96C 0.9800 . ?
C97 C98 1.381(4) . ?
C98 C99 1.378(4) . ?
C98 H98 0.9500 . ?
C99 C100 1.445(4) . ?
C100 C100 1.352(6) 6_565 ?
C100 C101 1.502(4) . ?
C101 C102 1.528(5) . ?
C101 H10A 0.9900 . ?
C101 H10B 0.9900 . ?
C102 H10C 0.9800 . ?
C102 H10D 0.9800 . ?
C102 H10E 0.9800 . ?
C103 C104 1.381(9) . ?
C103 C108 1.424(12) . ?
C103 H103 0.9500 . ?
C104 C105 1.391(9) . ?
C104 H104 0.9500 . ?
C105 C106 1.366(9) . ?
C105 H105 0.9500 . ?
C106 C107 1.364(11) . ?
C106 H106 0.9500 . ?
C107 C108 1.373(13) . ?
C107 H107 0.9500 . ?
C108 H108 0.9500 . ?
Eu1 Eu3 1.107(6) . ?
Eu1 Eu2 1.478(4) . ?
Eu1 Eu5 1.636(15) . ?
Eu1 Eu5 1.934(16) 6_565 ?
Eu1 Eu4 2.059(10) . ?
Eu1 Eu3 2.135(7) 6_565 ?
Eu1 Eu6 2.290(12) . ?
Eu1 Eu1 2.621(2) 6_565 ?
Eu1 Eu7 2.662(11) . ?
Eu1 Eu2 3.043(3) 6_565 ?
Eu1 Eu7 3.176(11) 6_565 ?
Eu1 Eu4 3.497(7) 6_565 ?
Eu2 Eu4 1.005(10) . ?
Eu2 Eu7 1.499(12) . ?
Eu2 Eu3 1.513(8) . ?
Eu2 Eu7 2.310(12) 6_565 ?
Eu2 Eu3 2.392(7) 6_565 ?
Eu2 Eu2 2.699(6) 6_565 ?
Eu2 Eu5 2.845(14) . ?
Eu2 Eu5 3.032(14) 6_565 ?
Eu2 Eu4 3.039(8) 6_565 ?
Eu2 Eu6 3.102(13) . ?
Eu3 Eu3 1.272(15) 6_565 ?
Eu3 Eu5 2.033(14) . ?
Eu3 Eu5 2.157(15) 6_565 ?
Eu3 Eu4 2.398(12) . ?
Eu3 Eu7 2.609(13) . ?
Eu3 Eu6 2.826(15) . ?
Eu3 Eu7 2.875(13) 6_565 ?
Eu4 Eu7 1.109(14) . ?
Eu4 Eu7 2.172(17) 6_565 ?
Eu4 Eu4 3.047(19) 6_565 ?
Eu4 Eu6 3.067(14) . ?
Eu4 Eu5 3.199(16) . ?
Eu4 Eu5 3.387(16) 6_565 ?
Eu5 Eu5 0.41(4) 6_565 ?
Eu5 Eu6 1.246(17) . ?
Eu5 Eu7 3.496(17) . ?
Eu6 Eu7 3.268(18) 6_565 ?
Eu7 Eu7 1.14(2) 6_565 ?
C109 C111 1.29(3) 2_756 ?
C109 C110 1.398(10) . ?
C109 H109 0.9500 . ?
C110 C111 1.405(10) . ?
C110 H110 0.9500 . ?
C111 H111 0.9500 . ?
S1 C112 1.502(9) . ?

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
C9 C1 C5 117.9(14) . . ?
C9 C1 C2 121.0(17) . . ?
C5 C1 C2 112.2(8) . . ?
C9 C1 Eu5 83.0(10) . 6_565 ?
C5 C1 Eu5 80.8(6) . 6_565 ?
C2 C1 Eu5 76.2(9) . 6_565 ?
Eu5 C1 Eu6 21.6(4) . . ?
Eu5 C1 Eu6 21.6(4) 6_565 . ?
C6 C20 C21 127.3(8) . . ?
C6 C20 C19 115.5(11) . . ?
C21 C20 C19 105.8(12) . . ?
C6 C20 Eu3 88.9(6) . 6_565 ?
C21 C20 Eu3 81.8(6) . 6_565 ?
C19 C20 Eu3 62.9(5) . 6_565 ?
Eu3 C20 Eu3 26.0(3) 6_565 . ?
C12 C2 C1 123.5(19) . . ?
C12 C2 C3 119.9(16) . . ?
C1 C2 C3 105.0(10) . . ?
C15 C3 C4 122.2(16) . . ?
C15 C3 C2 121.0(17) . . ?
C4 C3 C2 107.8(11) . . ?
C3 C4 C18 121.4(13) . . ?
C3 C4 C5 110.4(11) . . ?
C18 C4 C5 120.3(15) . . ?
C1 C5 C4 104.5(9) . . ?
C1 C5 C6 126.8(9) . . ?
C4 C5 C6 119.8(12) . . ?
C20 C6 C5 124.5(10) . . ?
C20 C6 C7 115.4(12) . . ?
C5 C6 C7 113.4(14) . . ?
C23 C7 C8 119.4(17) . . ?
C23 C7 C6 115.5(18) . . ?
C8 C7 C6 119.1(15) . . ?
C26 C8 C9 114(2) . . ?
C26 C8 C7 118.7(13) . . ?
C9 C8 C7 120.4(18) . . ?
C1 C9 C8 122(2) . . ?
C1 C9 C10 113.3(18) . . ?
C8 C9 C10 119.3(19) . . ?
C28 C10 C11 103.6(11) . . ?
C28 C10 C9 121.5(16) . . ?
C11 C10 C9 124.8(17) . . ?
C12 C11 C30 122.3(18) . . ?
C12 C11 C10 116(2) . . ?
C30 C11 C10 108.5(11) . . ?
C11 C12 C2 120(2) . . ?
C11 C12 C13 110.7(19) . . ?
C2 C12 C13 124(2) . . ?
C12 C13 C14 111.1(18) . . ?
C12 C13 C32 129.2(19) . . ?
C14 C13 C32 108.6(11) . . ?
C34 C14 C13 110.4(10) . . ?
C34 C14 C15 115.3(14) . . ?
C13 C14 C15 126.2(15) . . ?
C3 C15 C16 119.5(19) . . ?
C3 C15 C14 117.1(18) . . ?
C16 C15 C14 117.0(18) . . ?
C15 C16 C17 123.1(18) . . ?
C15 C16 C36 124.6(16) . . ?
C17 C16 C36 103.8(17) . . ?
C38 C17 C18 120(2) . . ?
C38 C17 C16 112.2(19) . . ?
C18 C17 C16 116.3(16) . . ?
C4 C18 C17 117.2(15) . . ?
C4 C18 C19 117.3(17) . . ?
C17 C18 C19 118.0(19) . . ?
C40 C19 C18 122.4(16) . . ?
C40 C19 C20 105.1(13) . . ?
C18 C19 C20 122.5(16) . . ?
C22 C21 C20 119.7(15) . . ?
C22 C21 C41 120.1(15) . . ?
C20 C21 C41 111.6(13) . . ?
C44 C22 C21 119(3) . . ?
C44 C22 C23 106(3) . . ?
C21 C22 C23 117.2(17) . . ?
C24 C23 C7 119.7(19) . . ?
C24 C23 C22 106.0(16) . . ?
C7 C23 C22 123.6(18) . . ?
C23 C24 C25 123.1(17) . . ?
C23 C24 C45 107.5(17) . . ?
C25 C24 C45 118.8(13) . . ?
C24 C25 C48 121.2(12) . . ?
C24 C25 C26 119.8(13) . . ?
C48 C25 C26 108.5(11) . . ?
C25 C26 C8 119.3(15) . . ?
C25 C26 C27 105.4(10) . . ?
C8 C26 C27 126.7(15) . . ?
C28 C27 C49 120.6(11) . . ?
C28 C27 C26 117.8(14) . . ?
C49 C27 C26 110.5(10) . . ?
C27 C28 C10 119.4(15) . . ?
C27 C28 C29 118.0(11) . . ?
C10 C28 C29 113.9(11) . . ?
C30 C29 C56 127.0(16) . . ?
C30 C29 C28 102.6(10) . . ?
C56 C29 C28 122.0(11) . . ?
C29 C30 C11 110.3(11) . . ?
C29 C30 C31 112.8(18) . . ?
C11 C30 C31 125.1(19) . . ?
C32 C31 C53 114(3) . . ?
C32 C31 C30 112(2) . . ?
C53 C31 C30 126(3) . . ?
C31 C32 C51 126.7(18) . . ?
C31 C32 C13 119.2(18) . . ?
C51 C32 C13 103.3(11) . . ?
C83 C33 C84 121.9(13) . . ?
C83 C33 C76 116.2(14) . . ?
C84 C33 C76 111.4(11) . . ?
C35 C34 C14 128.8(11) . . ?
C35 C34 C51 119.6(11) . . ?
C14 C34 C51 103.9(9) . . ?
C36 C35 C58 113.6(18) . . ?
C36 C35 C34 118.5(16) . . ?
C58 C35 C34 120.2(15) . . ?
C35 C36 C37 134.4(18) . . ?
C35 C36 C16 115.3(19) . . ?
C37 C36 C16 102.2(17) . . ?
C38 C37 C36 115.3(16) . . ?
C38 C37 C60 120.6(16) . . ?
C36 C37 C60 113.5(17) . . ?
C17 C38 C37 106.4(17) . . ?
C17 C38 C39 125(2) . . ?
C37 C38 C39 121.4(19) . . ?
C62 C39 C40 117(2) . . ?
C62 C39 C38 114(3) . . ?
C40 C39 C38 112(2) . . ?
C19 C40 C41 113.2(16) . . ?
C19 C40 C39 123(2) . . ?
C41 C40 C39 117.0(18) . . ?
C42 C41 C40 126.2(17) . . ?
C42 C41 C21 119(2) . . ?
C40 C41 C21 104.0(13) . . ?
C41 C42 C43 122.7(17) . . ?
C41 C42 C63 115(2) . . ?
C43 C42 C63 117.1(11) . . ?
C42 C43 C44 113.2(18) . . ?
C42 C43 C66 121.6(12) . . ?
C44 C43 C66 117(2) . . ?
C22 C44 C45 115(4) . . ?
C22 C44 C43 125(4) . . ?
C45 C44 C43 118(3) . . ?
C46 C45 C44 123(3) . . ?
C46 C45 C24 117.8(14) . . ?
C44 C45 C24 102(2) . . ?
C45 C46 C67 123.8(14) . . ?
C45 C46 C47 123.3(12) . . ?
C67 C46 C47 103.4(8) . . ?
C48 C47 C69 117.1(11) . . ?
C48 C47 C46 119.0(10) . . ?
C69 C47 C46 113.4(8) . . ?
C47 C48 C49 122.1(12) . . ?
C47 C48 C25 119.8(11) . . ?
C49 C48 C25 109.3(10) . . ?
C27 C49 C48 105.7(9) . . ?
C27 C49 C50 123.4(10) . . ?
C48 C49 C50 121.2(10) . . ?
C56 C50 C49 116.1(10) . . ?
C56 C50 C70 120.1(13) . . ?
C49 C50 C70 117.0(12) . . ?
C55 C51 C34 120.6(14) . . ?
C55 C51 C32 114.8(16) . . ?
C34 C51 C32 113.3(11) . . ?
C72 C52 C56 120.0(19) . . ?
C72 C52 C53 113(2) . . ?
C56 C52 C53 118.8(16) . . ?
C54 C53 C31 124(3) . . ?
C54 C53 C52 114.2(18) . . ?
C31 C53 C52 116(3) . . ?
C74 C54 C53 126(2) . . ?
C74 C54 C55 104.5(19) . . ?
C53 C54 C55 118.0(19) . . ?
C51 C55 C57 120.1(15) . . ?
C51 C55 C54 121.1(16) . . ?
C57 C55 C54 109.8(15) . . ?
C52 C56 C29 119.0(15) . . ?
C52 C56 C50 119.4(14) . . ?
C29 C56 C50 119.1(11) . . ?
C75 C57 C58 127(2) . . ?
C75 C57 C55 105.6(19) . . ?
C58 C57 C55 120.3(16) . . ?
C57 C58 C35 119(2) . . ?
C57 C58 C59 114.3(19) . . ?
C35 C58 C59 120.1(19) . . ?
C77 C59 C60 113.7(15) . . ?
C77 C59 C58 116.8(16) . . ?
C60 C59 C58 120.7(15) . . ?
C61 C60 C59 121.4(15) . . ?
C61 C60 C37 116.4(16) . . ?
C59 C60 C37 117.2(15) . . ?
C60 C61 C79 120.8(14) . . ?
C60 C61 C62 122.0(15) . . ?
C79 C61 C62 105.6(10) . . ?
C39 C62 C63 122.4(17) . . ?
C39 C62 C61 124(2) . . ?
C63 C62 C61 106.4(10) . . ?
C64 C63 C62 112.7(9) . . ?
C64 C63 C42 119.4(11) . . ?
C62 C63 C42 121.0(12) . . ?
C63 C64 C65 127.6(10) . . ?
C63 C64 C79 103.9(9) . . ?
C65 C64 C79 120.3(10) . . ?
C80 C65 C64 122.2(11) . . ?
C80 C65 C66 122.9(14) . . ?
C64 C65 C66 111.7(12) . . ?
C67 C66 C43 120.2(12) . . ?
C67 C66 C65 112.6(13) . . ?
C43 C66 C65 121.8(14) . . ?
C66 C67 C46 116.3(11) . . ?
C66 C67 C68 123.5(10) . . ?
C46 C67 C68 109.3(9) . . ?
C69 C68 C81 120.6(11) . . ?
C69 C68 C67 108.6(8) . . ?
C81 C68 C67 122.3(11) . . ?
C47 C69 C70 126.0(11) . . ?
C47 C69 C68 104.9(8) . . ?
C70 C69 C68 120.0(11) . . ?
C71 C70 C69 118.5(14) . . ?
C71 C70 C50 118.8(17) . . ?
C69 C70 C50 116.3(13) . . ?
C82 C71 C70 119.3(14) . . ?
C82 C71 C72 113.1(18) . . ?
C70 C71 C72 117.3(18) . . ?
C52 C72 C71 123.8(19) . . ?
C52 C72 C73 126.3(18) . . ?
C71 C72 C73 100.8(15) . . ?
C74 C73 C83 124.9(19) . . ?
C74 C73 C72 111.6(17) . . ?
C83 C73 C72 110.8(15) . . ?
C54 C74 C73 128(2) . . ?
C54 C74 C75 111(2) . . ?
C73 C74 C75 111.8(17) . . ?
C57 C75 C76 119(3) . . ?
C57 C75 C74 108.1(18) . . ?
C76 C75 C74 122.6(17) . . ?
C75 C76 C77 119.9(17) . . ?
C75 C76 C33 118.5(18) . . ?
C77 C76 C33 107.2(11) . . ?
C59 C77 C76 123.4(15) . . ?
C59 C77 C78 126.7(15) . . ?
C76 C77 C78 104.6(10) . . ?
C79 C78 C84 119.7(15) . . ?
C79 C78 C77 116.7(14) . . ?
C84 C78 C77 112.8(11) . . ?
C78 C79 C61 120.2(13) . . ?
C78 C79 C64 118.6(14) . . ?
C61 C79 C64 110.8(10) . . ?
C65 C80 C84 113.5(13) . . ?
C65 C80 C81 124.4(11) . . ?
C84 C80 C81 115.1(13) . . ?
C82 C81 C68 112.4(12) . . ?
C82 C81 C80 121.6(15) . . ?
C68 C81 C80 113.2(13) . . ?
C71 C82 C81 128.4(15) . . ?
C71 C82 C83 108.9(17) . . ?
C81 C82 C83 117.5(16) . . ?
C33 C83 C73 125.7(18) . . ?
C33 C83 C82 119.3(14) . . ?
C73 C83 C82 105.5(16) . . ?
C78 C84 C33 102.6(11) . . ?
C78 C84 C80 125.3(12) . . ?
C33 C84 C80 122.8(14) . . ?
C99 N1 Ni1 127.88(17) . . ?
C99 N1 Ni1 127.89(17) 6_565 . ?
N1 Ni1 N3 177.81(15) . . ?
N1 Ni1 N2 89.95(7) . . ?
N3 Ni1 N2 90.01(7) . . ?
N2 Ni1 N2 177.68(14) 6_565 . ?
C97 N2 C90 104.2(2) . . ?
C97 N2 Ni1 128.0(2) . . ?
C90 N2 Ni1 127.8(2) . . ?
C88 N3 Ni1 127.62(17) . . ?
C88 N3 Ni1 127.63(17) 6_565 . ?
C86 C85 H85A 109.5 . . ?
C86 C85 H85B 109.5 . . ?
H85A C85 H85B 109.5 . . ?
C86 C85 H85C 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
C87 C86 C85 113.1(3) . . ?
C87 C86 H86A 109.0 . . ?
C85 C86 H86A 109.0 . . ?
C87 C86 H86B 109.0 . . ?
C85 C86 H86B 109.0 . . ?
H86A C86 H86B 107.8 . . ?
C87 C87 C88 106.31(18) 6_565 . ?
C87 C87 C86 128.97(19) 6_565 . ?
C88 C87 C86 124.6(3) . . ?
C89 C88 N3 125.6(3) . . ?
C89 C88 C87 123.1(3) . . ?
N3 C88 C87 111.3(3) . . ?
C88 C89 C90 124.2(3) . . ?
C88 C89 H89 117.9 . . ?
C90 C89 H89 117.9 . . ?
N2 C90 C89 124.8(3) . . ?
N2 C90 C91 111.6(3) . . ?
C89 C90 C91 123.6(3) . . ?
C94 C91 C90 106.1(3) . . ?
C94 C91 C92 129.1(3) . . ?
C90 C91 C92 124.8(3) . . ?
C91 C92 C93 112.9(3) . . ?
C91 C92 H92A 109.0 . . ?
C93 C92 H92A 109.0 . . ?
C91 C92 H92B 109.0 . . ?
C93 C92 H92B 109.0 . . ?
H92A C92 H92B 107.8 . . ?
C92 C93 H93A 109.5 . . ?
C92 C93 H93B 109.5 . . ?
H93A C93 H93B 109.5 . . ?
C92 C93 H93C 109.5 . . ?
H93A C93 H93C 109.5 . . ?
H93B C93 H93C 109.5 . . ?
C91 C94 C97 106.1(3) . . ?
C91 C94 C95 129.1(3) . . ?
C97 C94 C95 124.8(3) . . ?
C94 C95 C96 112.9(3) . . ?
C94 C95 H95A 109.0 . . ?
C96 C95 H95A 109.0 . . ?
C94 C95 H95B 109.0 . . ?
C96 C95 H95B 109.0 . . ?
H95A C95 H95B 107.8 . . ?
C95 C96 H96A 109.5 . . ?
C95 C96 H96B 109.5 . . ?
H96A C96 H96B 109.5 . . ?
C95 C96 H96C 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 109.5 . . ?
N2 C97 C98 124.8(3) . . ?
N2 C97 C94 112.0(3) . . ?
C98 C97 C94 123.2(3) . . ?
C99 C98 C97 124.1(3) . . ?
C99 C98 H98 118.0 . . ?
C97 C98 H98 118.0 . . ?
N1 C99 C98 125.2(3) . . ?
N1 C99 C100 111.5(3) . . ?
C98 C99 C100 123.2(3) . . ?
C100 C100 C99 106.39(17) 6_565 . ?
C100 C100 C101 128.71(18) 6_565 . ?
C99 C100 C101 124.7(3) . . ?
C100 C101 C102 112.0(3) . . ?
C100 C101 H10A 109.2 . . ?
C102 C101 H10A 109.2 . . ?
C100 C101 H10B 109.2 . . ?
C102 C101 H10B 109.2 . . ?
H10A C101 H10B 107.9 . . ?
C101 C102 H10C 109.5 . . ?
C101 C102 H10D 109.5 . . ?
H10C C102 H10D 109.5 . . ?
C101 C102 H10E 109.5 . . ?
H10C C102 H10E 109.5 . . ?
H10D C102 H10E 109.5 . . ?
C104 C103 C108 116.8(7) . . ?
C104 C103 H103 121.6 . . ?
C108 C103 H103 121.6 . . ?
C103 C104 C105 121.9(6) . . ?
C103 C104 H104 119.1 . . ?
C105 C104 H104 119.1 . . ?
C106 C105 C104 119.4(6) . . ?
C106 C105 H105 120.3 . . ?
C104 C105 H105 120.3 . . ?
C107 C106 C105 120.8(7) . . ?
C107 C106 H106 119.6 . . ?
C105 C106 H106 119.6 . . ?
C106 C107 C108 120.4(8) . . ?
C106 C107 H107 119.8 . . ?
C108 C107 H107 119.8 . . ?
C107 C108 C103 120.7(7) . . ?
C107 C108 H108 119.6 . . ?
C103 C108 H108 119.6 . . ?
Eu3 Eu1 Eu2 69.9(4) . . ?
Eu3 Eu1 Eu5 93.7(6) . . ?
Eu2 Eu1 Eu5 132.0(5) . . ?
Eu3 Eu1 Eu4 93.6(4) . . ?
Eu2 Eu1 Eu4 27.2(2) . . ?
Eu5 Eu1 Eu4 119.5(5) . . ?
Eu5 Eu1 Eu4 116.0(5) 6_565 . ?
Eu3 Eu1 Eu6 107.4(4) . . ?
Eu2 Eu1 Eu6 108.9(4) . . ?
Eu5 Eu1 Eu6 31.8(5) . . ?
Eu5 Eu1 Eu6 33.0(4) 6_565 . ?
Eu4 Eu1 Eu6 89.5(4) . . ?
Eu3 Eu1 Eu6 79.3(3) 6_565 . ?
Eu3 Eu1 Eu7 75.2(4) . . ?
Eu2 Eu1 Eu7 26.8(3) . . ?
Eu5 Eu1 Eu7 106.4(6) . . ?
Eu5 Eu1 Eu7 100.4(5) 6_565 . ?
Eu4 Eu1 Eu7 22.9(3) . . ?
Eu3 Eu1 Eu7 72.7(3) 6_565 . ?
Eu6 Eu1 Eu7 82.2(4) . . ?
Eu1 Eu1 Eu7 73.9(3) 6_565 . ?
Eu4 Eu2 Eu1 110.6(6) . . ?
Eu4 Eu2 Eu7 47.8(7) . . ?
Eu1 Eu2 Eu7 126.8(5) . . ?
Eu4 Eu2 Eu3 143.7(5) . . ?
Eu1 Eu2 Eu3 43.4(3) . . ?
Eu7 Eu2 Eu3 120.1(5) . . ?
Eu4 Eu2 Eu5 101.4(5) . . ?
Eu1 Eu2 Eu5 25.3(3) . . ?
Eu7 Eu2 Eu5 102.8(5) . . ?
Eu3 Eu2 Eu5 43.4(3) . . ?
Eu7 Eu2 Eu5 86.8(4) 6_565 . ?
Eu3 Eu2 Eu5 47.7(4) 6_565 . ?
Eu2 Eu2 Eu5 66.2(4) 6_565 . ?
Eu4 Eu2 Eu6 78.6(5) . . ?
Eu1 Eu2 Eu6 44.3(3) . . ?
Eu7 Eu2 Eu6 82.6(5) . . ?
Eu3 Eu2 Eu6 65.3(3) . . ?
Eu7 Eu2 Eu6 72.6(3) 6_565 . ?
Eu3 Eu2 Eu6 60.3(2) 6_565 . ?
Eu2 Eu2 Eu6 64.22(13) 6_565 . ?
Eu5 Eu2 Eu6 23.7(3) . . ?
Eu5 Eu2 Eu6 23.4(3) 6_565 . ?
Eu4 Eu2 Eu6 59.9(2) 6_565 . ?
Eu1 Eu2 Eu6 43.74(16) 6_565 . ?
Eu1 Eu3 Eu2 66.6(4) . . ?
Eu3 Eu3 Eu2 118.1(3) 6_565 . ?
Eu1 Eu3 Eu5 53.4(5) . . ?
Eu3 Eu3 Eu5 77.7(5) 6_565 . ?
Eu2 Eu3 Eu5 105.8(5) . . ?
Eu1 Eu3 Eu4 59.0(4) . . ?
Eu3 Eu3 Eu4 111.7(3) 6_565 . ?
Eu2 Eu3 Eu4 14.4(2) . . ?
Eu5 Eu3 Eu4 92.1(5) . . ?
Eu1 Eu3 Eu4 100.8(3) 6_565 . ?
Eu5 Eu3 Eu4 95.9(5) 6_565 . ?
Eu2 Eu3 Eu4 78.8(3) 6_565 . ?
Eu1 Eu3 Eu7 80.6(4) . . ?
Eu3 Eu3 Eu7 88.6(3) 6_565 . ?
Eu2 Eu3 Eu7 29.8(3) . . ?
Eu5 Eu3 Eu7 96.9(5) . . ?
Eu1 Eu3 Eu7 83.4(3) 6_565 . ?
Eu5 Eu3 Eu7 96.3(5) 6_565 . ?
Eu2 Eu3 Eu7 54.8(3) 6_565 . ?
Eu4 Eu3 Eu7 25.1(3) . . ?
Eu1 Eu3 Eu6 50.6(2) . . ?
Eu3 Eu3 Eu6 77.00(16) 6_565 . ?
Eu2 Eu3 Eu6 85.6(4) . . ?
Eu5 Eu3 Eu6 23.1(4) . . ?
Eu1 Eu3 Eu6 52.78(14) 6_565 . ?
Eu5 Eu3 Eu6 24.6(4) 6_565 . ?
Eu2 Eu3 Eu6 72.4(2) 6_565 . ?
Eu4 Eu3 Eu6 71.4(4) . . ?
Eu7 Eu3 Eu6 73.8(4) . . ?
Eu1 Eu3 C20 118.6(4) . . ?
Eu3 Eu3 C20 77.01(14) 6_565 . ?
Eu2 Eu3 C20 157.9(4) . . ?
Eu5 Eu3 C20 92.7(5) . . ?
Eu1 Eu3 C20 88.4(3) 6_565 . ?
Eu5 Eu3 C20 90.2(5) 6_565 . ?
Eu2 Eu3 C20 109.4(3) 6_565 . ?
Eu4 Eu3 C20 170.8(4) . . ?
Eu7 Eu3 C20 160.6(4) . . ?
Eu6 Eu3 C20 114.6(4) . . ?
C20 Eu3 Eu7 140.0(4) . 6_565 ?
Eu2 Eu4 Eu7 90.1(9) . . ?
Eu2 Eu4 Eu1 42.2(4) . . ?
Eu7 Eu4 Eu1 110.7(8) . . ?
Eu2 Eu4 Eu3 21.9(3) . . ?
Eu7 Eu4 Eu3 88.1(8) . . ?
Eu1 Eu4 Eu3 27.43(19) . . ?
Eu7 Eu4 Eu3 77.8(4) 6_565 . ?
Eu2 Eu4 Eu6 82.6(5) . . ?
Eu7 Eu4 Eu6 90.4(7) . . ?
Eu1 Eu4 Eu6 48.3(3) . . ?
Eu7 Eu4 Eu6 75.0(4) 6_565 . ?
Eu3 Eu4 Eu6 60.8(3) . . ?
Eu2 Eu4 Eu6 61.1(2) 6_565 . ?
Eu4 Eu4 Eu6 60.2(2) 6_565 . ?
Eu2 Eu4 Eu5 60.7(5) . . ?
Eu7 Eu4 Eu5 96.1(8) . . ?
Eu1 Eu4 Eu5 26.4(3) . . ?
Eu7 Eu4 Eu5 80.6(5) 6_565 . ?
Eu3 Eu4 Eu5 39.4(3) . . ?
Eu2 Eu4 Eu5 58.1(3) 6_565 . ?
Eu4 Eu4 Eu5 65.6(4) 6_565 . ?
Eu6 Eu4 Eu5 22.8(3) . . ?
Eu3 Eu4 Eu5 40.0(3) 6_565 . ?
Eu5 Eu5 Eu6 80.6(8) 6_565 . ?
Eu5 Eu5 Eu1 132.6(5) 6_565 . ?
Eu6 Eu5 Eu1 104.4(10) . . ?
Eu5 Eu5 Eu3 102.3(6) 6_565 . ?
Eu6 Eu5 Eu3 117.0(10) . . ?
Eu1 Eu5 Eu3 32.9(3) . . ?
Eu1 Eu5 Eu3 65.1(5) 6_565 . ?
Eu5 Eu5 C1 84.9(5) 6_565 . ?
Eu6 Eu5 C1 116.0(11) . . ?
Eu1 Eu5 C1 129.4(9) . . ?
Eu1 Eu5 C1 114.6(8) 6_565 . ?
Eu3 Eu5 C1 127.0(7) . . ?
Eu3 Eu5 C1 121.0(7) 6_565 . ?
Eu5 Eu5 Eu2 113.7(4) 6_565 . ?
Eu6 Eu5 Eu2 89.8(9) . . ?
Eu1 Eu5 Eu2 22.7(2) . . ?
Eu1 Eu5 Eu2 76.5(4) 6_565 . ?
Eu3 Eu5 Eu2 30.8(3) . . ?
Eu3 Eu5 Eu2 55.1(3) 6_565 . ?
C1 Eu5 Eu2 151.0(7) . . ?
C1 Eu5 Eu2 137.9(7) . 6_565 ?
Eu5 Eu5 Eu4 114.4(4) 6_565 . ?
Eu6 Eu5 Eu4 72.6(8) . . ?
Eu1 Eu5 Eu4 34.1(4) . . ?
Eu1 Eu5 Eu4 81.9(4) 6_565 . ?
Eu3 Eu5 Eu4 48.5(4) . . ?
Eu3 Eu5 Eu4 67.6(4) 6_565 . ?
C1 Eu5 Eu4 160.5(8) . . ?
Eu2 Eu5 Eu4 17.94(19) . . ?
Eu2 Eu5 Eu4 58.3(3) 6_565 . ?
C1 Eu5 Eu4 144.1(7) . 6_565 ?
Eu5 Eu5 Eu7 96.0(4) 6_565 . ?
Eu6 Eu5 Eu7 69.2(9) . . ?
Eu1 Eu5 Eu7 46.9(4) . . ?
Eu1 Eu5 Eu7 64.2(4) 6_565 . ?
Eu3 Eu5 Eu7 47.8(4) . . ?
Eu3 Eu5 Eu7 55.2(4) 6_565 . ?
C1 Eu5 Eu7 174.8(7) . . ?
Eu2 Eu5 Eu7 24.7(2) . . ?
Eu2 Eu5 Eu7 40.7(3) 6_565 . ?
Eu4 Eu5 Eu7 18.4(3) . . ?
Eu4 Eu5 Eu7 36.7(3) 6_565 . ?
Eu5 Eu6 Eu5 18.8(17) 6_565 . ?
Eu5 Eu6 Eu1 57.6(9) 6_565 . ?
Eu5 Eu6 Eu1 43.8(8) . . ?
Eu5 Eu6 Eu3 46.1(8) 6_565 . ?
Eu5 Eu6 Eu3 39.9(7) . . ?
Eu1 Eu6 Eu3 21.9(2) . . ?
Eu1 Eu6 Eu3 47.9(3) 6_565 . ?
Eu5 Eu6 C1 42.4(8) 6_565 . ?
Eu5 Eu6 C1 42.4(8) . . ?
Eu1 Eu6 C1 82.3(5) . . ?
Eu1 Eu6 C1 82.3(5) 6_565 . ?
Eu3 Eu6 C1 82.3(5) . . ?
Eu3 Eu6 C1 82.3(5) 6_565 . ?
Eu5 Eu6 Eu4 93.9(10) 6_565 . ?
Eu5 Eu6 Eu4 84.6(9) . . ?
Eu1 Eu6 Eu4 42.2(3) . . ?
Eu1 Eu6 Eu4 80.1(4) 6_565 . ?
Eu3 Eu6 Eu4 47.8(3) . . ?
Eu3 Eu6 Eu4 63.4(3) 6_565 . ?
C1 Eu6 Eu4 124.4(5) . . ?
C1 Eu6 Eu4 124.4(5) . 6_565 ?
Eu5 Eu6 Eu2 75.1(9) 6_565 . ?
Eu5 Eu6 Eu2 66.5(8) . . ?
Eu1 Eu6 Eu2 26.80(18) . . ?
Eu1 Eu6 Eu2 66.7(4) 6_565 . ?
Eu3 Eu6 Eu2 29.1(2) . . ?
Eu3 Eu6 Eu2 47.3(3) 6_565 . ?
C1 Eu6 Eu2 107.8(5) . . ?
Eu4 Eu6 Eu2 18.7(2) . . ?
Eu4 Eu6 Eu2 59.0(3) 6_565 . ?
C1 Eu6 Eu2 107.8(5) . 6_565 ?
C1 Eu6 Eu7 132.3(6) . 6_565 ?
Eu4 Eu7 Eu2 42.1(6) . . ?
Eu7 Eu7 Eu2 121.2(5) 6_565 . ?
Eu4 Eu7 Eu3 66.7(8) . . ?
Eu7 Eu7 Eu3 91.4(3) 6_565 . ?
Eu2 Eu7 Eu3 30.1(3) . . ?
Eu4 Eu7 Eu3 80.3(5) 6_565 . ?
Eu2 Eu7 Eu3 57.8(3) 6_565 . ?
Eu4 Eu7 Eu1 46.3(6) . . ?
Eu7 Eu7 Eu1 106.1(3) 6_565 . ?
Eu2 Eu7 Eu1 26.4(3) . . ?
Eu4 Eu7 Eu1 92.1(5) 6_565 . ?
Eu2 Eu7 Eu1 75.1(3) 6_565 . ?
Eu3 Eu7 Eu1 24.22(17) . . ?
Eu4 Eu7 Eu6 69.8(7) . . ?
Eu7 Eu7 Eu6 79.9(2) 6_565 . ?
Eu2 Eu7 Eu6 70.3(5) . . ?
Eu4 Eu7 Eu6 65.0(3) 6_565 . ?
Eu2 Eu7 Eu6 65.0(3) 6_565 . ?
Eu3 Eu7 Eu6 56.1(4) . . ?
Eu1 Eu7 Eu6 44.0(3) . . ?
Eu3 Eu7 Eu6 54.3(3) 6_565 . ?
Eu1 Eu7 Eu6 41.6(2) 6_565 . ?
Eu4 Eu7 Eu5 65.5(7) . . ?
Eu7 Eu7 Eu5 83.9(4) 6_565 . ?
Eu2 Eu7 Eu5 52.5(4) . . ?
Eu4 Eu7 Eu5 68.9(5) 6_565 . ?
Eu2 Eu7 Eu5 58.8(4) 6_565 . ?
Eu3 Eu7 Eu5 35.3(3) . . ?
Eu1 Eu7 Eu5 26.7(3) . . ?
Eu3 Eu7 Eu5 38.0(3) 6_565 . ?
Eu1 Eu7 Eu5 33.3(3) 6_565 . ?
Eu6 Eu7 Eu5 20.9(3) . . ?
C111 C109 C110 111(2) 2_756 . ?
C111 C109 H109 124.6 2_756 . ?
C110 C109 H109 124.6 . . ?
C109 C110 C111 119.0(14) . . ?
C109 C110 H110 120.5 . . ?
C111 C110 H110 120.5 . . ?
C109 C111 C110 123.8(19) 2_756 . ?
C109 C111 H111 118.1 2_756 . ?
C110 C111 H111 118.1 . . ?
S1 C112 S1 167(3) . 2_756 ?

_refine_diff_density_max         1.767
_refine_diff_density_min         -1.402
_refine_diff_density_rms         0.114

####################################################################### 
# 
# 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_lb169
_database_code_depnum_ccdc_archive 'CCDC 1578322'
_audit_update_record             
;
2018-09-16 deposited with the CCDC.
2018-12-17 downloaded from the CCDC.
;

_vrf_PLAT307_lb169               
;
PROBLEM: Isolated Metal Atom found in Structure (Unusual) Eu7 Check 
RESPONSE: This is an endohedral Eu atom.
;
_vrf_PLAT308_lb169               
;
PROBLEM: Single Bonded Metal Atom in Structure (Unusual) Eu2 Check
RESPONSE: This is an endohedral Eu atom.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        'Eu@C2(11)-C80 Ni(OEP) 2(C6H6)'
_chemical_name_common            'Eu@C2(11)-C80 Ni(OEP) 2(C6H6)'
_chemical_melting_point          ?
_chemical_formula_moiety         'Eu C84, C36 H44 N4 Ni, 2(C6 H6)'
_chemical_formula_sum            'C132 H56 Eu N4 Ni'
_chemical_formula_weight         1908.47

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0027 0.0014 '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 0.0053 0.0028 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3436 0.9622 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1666 3.2045 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_H-M_alt        'C 2/m'
_space_group_name_Hall           '-C 2y'

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

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

_cell_length_a                   25.386(6)
_cell_length_b                   15.123(6)
_cell_length_c                   19.953(5)
_cell_angle_alpha                90
_cell_angle_beta                 95.200(3)
_cell_angle_gamma                90
_cell_volume                     7629(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9923
_cell_measurement_theta_min      2.422
_cell_measurement_theta_max      25.393

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.662
_exptl_crystal_F_000             3868
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.310
_exptl_crystal_size_min          0.270
_exptl_absorpt_coefficient_mu    0.899
_shelx_estimated_absorpt_T_min   0.744
_shelx_estimated_absorpt_T_max   0.793
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.6965
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   SADABS
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.6525
_diffrn_radiation_type           synchrotron
_diffrn_source                   'SSRF, Beamline B17B1'
_diffrn_measurement_device_type  'CCD MX-300'
_diffrn_measurement_method       'phi scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            67271
_diffrn_reflns_av_unetI/netI     0.0364
_diffrn_reflns_av_R_equivalents  0.0596
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         1.440
_diffrn_reflns_theta_max         25.472
_diffrn_reflns_theta_full        23.048
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             9490
_reflns_number_gt                8187
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1906P)²+15.8440P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9490
_refine_ls_number_parameters     1034
_refine_ls_number_restraints     1843
_refine_ls_R_factor_all          0.0985
_refine_ls_R_factor_gt           0.0898
_refine_ls_wR_factor_ref         0.2773
_refine_ls_wR_factor_gt          0.2658
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_restrained_S_all      1.327
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C8 C 0.6898(5) 0.500000 0.3947(4) 0.117(4) Uani 1 2 d DS TU P . .
C13 C 0.5420(5) 0.500000 0.2126(8) 0.159(5) Uani 1 2 d DS TU P . .
C14 C 0.5341(4) 0.500000 0.1440(8) 0.148(5) Uani 1 2 d DS TU P A .
C34 C 0.5697(8) 0.500000 0.0399(8) 0.176(6) Uani 1 2 d DS TU P . .
C74 C 0.6922(8) 0.500000 -0.0224(5) 0.162(5) Uani 1 2 d DS TU P . .
C1 C 0.5913(5) 0.5240(10) 0.3207(9) 0.110(6) Uani 0.5 1 d D U P A -1
C2 C 0.5620(6) 0.5515(10) 0.2646(8) 0.126(5) Uani 0.5 1 d D U P A -1
C3 C 0.5659(8) 0.6344(10) 0.2383(9) 0.120(6) Uani 0.5 1 d D U P A -1
C4 C 0.6014(7) 0.6952(13) 0.2676(9) 0.147(7) Uani 0.5 1 d D U P A -1
C5 C 0.6361(5) 0.6741(10) 0.3231(8) 0.152(7) Uani 0.5 1 d D U P A -1
C6 C 0.6260(6) 0.5923(11) 0.3481(9) 0.143(7) Uani 0.5 1 d D U P A -1
C7 C 0.6739(7) 0.5827(9) 0.3854(11) 0.120(7) Uani 0.5 1 d D U P A -1
C9 C 0.6598(6) 0.4223(8) 0.3713(8) 0.094(5) Uani 0.5 1 d D U P A -1
C10 C 0.6095(7) 0.4398(13) 0.3338(11) 0.134(7) Uani 0.5 1 d D U P A -1
C11 C 0.5911(6) 0.3798(11) 0.2919(8) 0.147(6) Uani 0.5 1 d D U P A -1
C12 C 0.5554(7) 0.4027(10) 0.2303(8) 0.125(6) Uani 0.5 1 d D U P A -1
C15 C 0.5465(7) 0.5895(8) 0.1248(8) 0.130(6) Uani 0.5 1 d D U P A -1
C16 C 0.5583(8) 0.6587(14) 0.1703(9) 0.120(6) Uani 0.5 1 d D U P A -1
C17 C 0.5981(5) 0.7174(8) 0.1583(6) 0.087(3) Uani 0.5 1 d D U P A -1
C18 C 0.6237(7) 0.7430(13) 0.2196(8) 0.117(6) Uani 0.5 1 d D U P A -1
C19 C 0.6761(6) 0.7710(12) 0.2280(7) 0.109(5) Uani 0.5 1 d D U P A -1
C20 C 0.7116(7) 0.7473(15) 0.2829(8) 0.126(7) Uani 0.5 1 d D U P A -1
C21 C 0.6874(6) 0.7036(13) 0.3334(9) 0.130(7) Uani 0.5 1 d D U P A -1
C22 C 0.7142(7) 0.6405(13) 0.3707(13) 0.127(7) Uani 0.5 1 d D U P A -1
C23 C 0.7671(8) 0.6197(13) 0.3579(10) 0.132(8) Uani 0.5 1 d D U P A -1
C24 C 0.7875(7) 0.5289(11) 0.3731(7) 0.155(7) Uani 0.5 1 d D U P A -1
C25 C 0.7453(6) 0.4723(7) 0.3955(5) 0.107(4) Uani 0.5 1 d D U P A -1
C26 C 0.7505(6) 0.3786(8) 0.3757(7) 0.075(3) Uani 0.5 1 d D U P A -1
C27 C 0.6966(6) 0.3481(8) 0.3603(10) 0.098(5) Uani 0.5 1 d D U P A -1
C28 C 0.6826(8) 0.2846(10) 0.3090(9) 0.104(5) Uani 0.5 1 d D U P A -1
C29 C 0.6248(7) 0.2999(11) 0.2834(6) 0.123(6) Uani 0.5 1 d D U P A -1
C30 C 0.6057(8) 0.2709(16) 0.2153(9) 0.148(7) Uani 0.5 1 d D U P A -1
C31 C 0.5689(11) 0.3370(13) 0.1811(9) 0.140(7) Uani 0.5 1 d D U P A -1
C32 C 0.5609(10) 0.3568(12) 0.1126(9) 0.154(7) Uani 0.5 1 d D U P A -1
C33 C 0.5477(11) 0.4448(10) 0.0901(9) 0.157(8) Uani 0.5 1 d D U P A -1
C35 C 0.5688(7) 0.5907(9) 0.0604(9) 0.136(6) Uani 0.5 1 d D U P A -1
C36 C 0.6067(10) 0.6502(12) 0.0480(11) 0.118(6) Uani 0.5 1 d . U P A -1
C37 C 0.6239(7) 0.7176(11) 0.1012(9) 0.090(4) Uani 0.5 1 d . U P A -1
C38 C 0.6781(7) 0.7408(10) 0.1071(7) 0.097(4) Uani 0.5 1 d D U P A -1
C39 C 0.7036(5) 0.7695(10) 0.1707(6) 0.088(4) Uani 0.5 1 d D U P A -1
C40 C 0.7566(5) 0.7519(7) 0.1941(7) 0.091(3) Uani 0.5 1 d D U P A -1
C41 C 0.7617(8) 0.735(2) 0.2633(8) 0.111(7) Uani 0.5 1 d D U P A -1
C42 C 0.7935(9) 0.6739(16) 0.3048(10) 0.129(7) Uani 0.5 1 d D U P A -1
C43 C 0.8349(11) 0.6343(14) 0.2690(8) 0.160(7) Uani 0.5 1 d D U P A -1
C44 C 0.8563(5) 0.5447(11) 0.2806(8) 0.136(5) Uani 0.5 1 d D U P A -1
C45 C 0.8305(5) 0.4954(12) 0.3333(8) 0.184(7) Uani 0.5 1 d D U P A -1
C46 C 0.8314(5) 0.4013(11) 0.3166(8) 0.136(5) Uani 0.5 1 d D U P A -1
C47 C 0.7889(6) 0.3435(11) 0.3373(7) 0.093(4) Uani 0.5 1 d D U P A -1
C48 C 0.7714(7) 0.2802(11) 0.2818(9) 0.084(4) Uani 0.5 1 d D U P A -1
C49 C 0.7201(12) 0.2510(12) 0.2743(10) 0.106(5) Uani 0.5 1 d D U P A -1
C50 C 0.7030(8) 0.2251(11) 0.2033(7) 0.111(5) Uani 0.5 1 d D U P A -1
C51 C 0.6498(8) 0.2330(12) 0.1819(9) 0.138(6) Uani 0.5 1 d D U P A -1
C52 C 0.6449(9) 0.2553(19) 0.1123(10) 0.156(8) Uani 0.5 1 d D U P A -1
C53 C 0.6089(11) 0.3132(15) 0.0766(10) 0.162(7) Uani 0.5 1 d D U P A -1
C54 C 0.6256(10) 0.3703(14) 0.0275(11) 0.165(9) Uani 0.5 1 d D U P A -1
C55 C 0.6108(10) 0.4590(12) 0.0081(7) 0.170(7) Uani 0.5 1 d D U P A -1
C56 C 0.6428(9) 0.5269(10) -0.0142(6) 0.153(5) Uani 0.5 1 d D U P A -1
C57 C 0.6462(8) 0.6146(10) 0.0089(8) 0.106(5) Uani 0.5 1 d D U P A -1
C58 C 0.6971(8) 0.6417(14) 0.0157(13) 0.130(7) Uani 0.5 1 d D U P A -1
C59 C 0.7160(7) 0.7070(14) 0.0660(9) 0.126(6) Uani 0.5 1 d D U P A -1
C60 C 0.7692(7) 0.6935(13) 0.0922(8) 0.133(6) Uani 0.5 1 d D U P A -1
C61 C 0.7916(8) 0.7096(17) 0.1597(10) 0.133(7) Uani 0.5 1 d D U P A -1
C62 C 0.8332(5) 0.6575(7) 0.1968(7) 0.087(3) Uani 0.5 1 d D U P A -1
C63 C 0.8583(8) 0.5853(12) 0.1621(9) 0.166(7) Uani 0.5 1 d D U P A -1
C64 C 0.8683(5) 0.5125(12) 0.2136(11) 0.171(6) Uani 0.5 1 d D U P A -1
C65 C 0.8540(10) 0.4241(15) 0.1907(11) 0.216(9) Uani 0.5 1 d D U P A -1
C66 C 0.8414(8) 0.3711(14) 0.2468(10) 0.151(7) Uani 0.5 1 d D U P A -1
C67 C 0.8026(6) 0.2927(8) 0.2231(7) 0.111(4) Uani 0.5 1 d D U P A -1
C68 C 0.7822(10) 0.2746(19) 0.1545(12) 0.124(6) Uani 0.5 1 d D U P A -1
C69 C 0.7322(7) 0.2371(9) 0.1482(7) 0.118(5) Uani 0.5 1 d D U P A -1
C70 C 0.6961(8) 0.2486(12) 0.0925(7) 0.153(8) Uani 0.5 1 d D U P A -1
C71 C 0.7128(8) 0.3008(15) 0.0469(12) 0.171(9) Uani 0.5 1 d D U P A -1
C72 C 0.6764(8) 0.3503(14) 0.0113(11) 0.139(7) Uani 0.5 1 d D U P A -1
C73 C 0.7051(8) 0.4172(9) -0.0060(10) 0.168(8) Uani 0.5 1 d D U P A -1
C75 C 0.7220(7) 0.5748(11) -0.0182(11) 0.165(8) Uani 0.5 1 d D U P A -1
C76 C 0.7701(9) 0.5625(13) 0.0154(12) 0.175(9) Uani 0.5 1 d D U P A -1
C77 C 0.7966(8) 0.6225(12) 0.0624(10) 0.165(7) Uani 0.5 1 d D U P A -1
C78 C 0.8396(8) 0.5727(15) 0.0944(11) 0.184(8) Uani 0.5 1 d D U P A -1
C79 C 0.8311(8) 0.4783(14) 0.0802(12) 0.188(8) Uani 0.5 1 d D U P A -1
C80 C 0.8348(9) 0.3978(15) 0.1232(11) 0.157(8) Uani 0.5 1 d D U P A -1
C81 C 0.7979(8) 0.3292(14) 0.1022(8) 0.131(6) Uani 0.5 1 d D U P A -1
C82 C 0.7610(7) 0.3386(12) 0.0493(8) 0.130(6) Uani 0.5 1 d D U P A -1
C83 C 0.7569(8) 0.4094(12) 0.0108(12) 0.152(8) Uani 0.5 1 d D U P A -1
C84 C 0.7931(8) 0.4781(11) 0.0227(9) 0.164(8) Uani 0.5 1 d D U P A -1
C85 C 0.40771(16) 0.3533(3) 0.15748(18) 0.0550(9) Uani 1 1 d . . . B 2
H85A H 0.385986 0.315429 0.126174 0.083 Uiso 1 1 calc R U . B 2
H85B H 0.436033 0.318081 0.181012 0.083 Uiso 1 1 calc R U . B 2
H85C H 0.423223 0.400967 0.132386 0.083 Uiso 1 1 calc R U . B 2
C86 C 0.37330(13) 0.3930(2) 0.20863(17) 0.0466(7) Uani 1 1 d . . . B 2
H86A H 0.343368 0.424983 0.184257 0.056 Uiso 1 1 calc R U . B 2
H86B H 0.358424 0.344534 0.234384 0.056 Uiso 1 1 calc R U . B 2
C87 C 0.40249(11) 0.4550(2) 0.25661(15) 0.0378(6) Uani 1 1 d . . . B 2
C88 C 0.43997(10) 0.42838(19) 0.31200(14) 0.0333(6) Uani 1 1 d . . . B 2
C89 C 0.45130(10) 0.34157(19) 0.32702(15) 0.0358(6) Uani 1 1 d . . . B 2
H89 H 0.431642 0.297210 0.302034 0.043 Uiso 1 1 calc R U . B 2
C90 C 0.48964(10) 0.31496(18) 0.37637(15) 0.0333(6) Uani 1 1 d . . . B 2
C91 C 0.50320(11) 0.22302(19) 0.38868(17) 0.0394(6) Uani 1 1 d . . . B 2
C92 C 0.47941(13) 0.1464(2) 0.3499(2) 0.0508(8) Uani 1 1 d . . . B 2
H92A H 0.440602 0.154636 0.343235 0.061 Uiso 1 1 calc R U . B 2
H92B H 0.486404 0.091846 0.376655 0.061 Uiso 1 1 calc R U . B 2
C93 C 0.50079(16) 0.1348(3) 0.2816(2) 0.0632(11) Uani 1 1 d . . . B 2
H93A H 0.485052 0.081917 0.259489 0.095 Uiso 1 1 calc R U . B 2
H93B H 0.539322 0.128073 0.287670 0.095 Uiso 1 1 calc R U . B 2
H93C H 0.491742 0.186778 0.253570 0.095 Uiso 1 1 calc R U . B 2
C94 C 0.54249(11) 0.22323(19) 0.44003(17) 0.0384(6) Uani 1 1 d . . . B 2
C95 C 0.57243(12) 0.1469(2) 0.4719(2) 0.0474(8) Uani 1 1 d . . . B 2
H95A H 0.551255 0.092422 0.463378 0.057 Uiso 1 1 calc R U . B 2
H95B H 0.577039 0.156274 0.521213 0.057 Uiso 1 1 calc R U . B 2
C96 C 0.62672(14) 0.1332(3) 0.4463(2) 0.0582(9) Uani 1 1 d . . . B 2
H96A H 0.622461 0.120324 0.398030 0.087 Uiso 1 1 calc R U . B 2
H96B H 0.644644 0.083612 0.470364 0.087 Uiso 1 1 calc R U . B 2
H96C H 0.647917 0.187024 0.454228 0.087 Uiso 1 1 calc R U . B 2
C97 C 0.55238(10) 0.31497(18) 0.45731(15) 0.0330(6) Uani 1 1 d . . . B 2
C98 C 0.59089(10) 0.34172(19) 0.50605(15) 0.0333(5) Uani 1 1 d . . . B 2
H98 H 0.610597 0.297387 0.531005 0.040 Uiso 1 1 calc R U . B 2
C99 C 0.60249(10) 0.42806(18) 0.52070(14) 0.0309(5) Uani 1 1 d . . . B 2
C100 C 0.64532(10) 0.4552(2) 0.56926(14) 0.0340(6) Uani 1 1 d . . . B 2
C101 C 0.68338(11) 0.3934(2) 0.60632(16) 0.0404(6) Uani 1 1 d . . . B 2
H10A H 0.664032 0.340815 0.620588 0.048 Uiso 1 1 calc R U . B 2
H10B H 0.699712 0.423051 0.647304 0.048 Uiso 1 1 calc R U . B 2
C102 C 0.72684(12) 0.3638(3) 0.56300(19) 0.0534(9) Uani 1 1 d . . . B 2
H10C H 0.710880 0.332818 0.523068 0.080 Uiso 1 1 calc R U . B 2
H10D H 0.751263 0.323995 0.589126 0.080 Uiso 1 1 calc R U . B 2
H10E H 0.746233 0.415709 0.549043 0.080 Uiso 1 1 calc R U . B 2
C103 C 0.6385(2) 1.000000 0.2642(3) 0.0624(14) Uani 1 2 d S T P C 2
H103 H 0.613971 1.000000 0.297382 0.075 Uiso 1 2 calc R U P C 2
C104 C 0.6919(2) 1.000000 0.2832(3) 0.0544(12) Uani 1 2 d S T P C 2
H104 H 0.704158 1.000000 0.329633 0.065 Uiso 1 2 calc R U P C 2
C105 C 0.7278(2) 1.000000 0.2354(3) 0.0573(12) Uani 1 2 d S T P C 2
H105 H 0.764557 1.000000 0.249307 0.069 Uiso 1 2 calc R U P C 2
C106 C 0.7111(3) 1.000000 0.1678(3) 0.0684(16) Uani 1 2 d S T P C 2
H106 H 0.735853 1.000000 0.134889 0.082 Uiso 1 2 calc R U P C 2
C107 C 0.6576(4) 1.000000 0.1492(4) 0.105(3) Uani 1 2 d S T P C 2
H107 H 0.645341 1.000000 0.102817 0.126 Uiso 1 2 calc R U P C 2
C108 C 0.6207(3) 1.000000 0.1975(4) 0.095(3) Uani 1 2 d S T P C 2
H108 H 0.583869 1.000000 0.183967 0.114 Uiso 1 2 calc R U P C 2
N1 N 0.46333(12) 0.500000 0.34478(17) 0.0314(6) Uani 1 2 d S T P B 2
N2 N 0.51994(8) 0.37017(17) 0.41792(11) 0.0316(5) Uani 1 1 d . . . B 2
N3 N 0.57634(12) 0.500000 0.49111(17) 0.0295(6) Uani 1 2 d S T P B 2
Ni Ni 0.51887(2) 0.500000 0.41924(2) 0.02799(18) Uani 1 2 d S T P B 2
Eu1 Eu 0.63970(15) 0.4495(3) 0.1717(4) 0.1988(19) Uani 0.1719 1 d . U P A 3
Eu2 Eu 0.67092(6) 0.39752(11) 0.20600(9) 0.0502(3) Uani 0.149 1 d . U P A 3
Eu3 Eu 0.6781(3) 0.5695(3) 0.2460(3) 0.1147(16) Uani 0.0961 1 d . U P A 3
Eu4 Eu 0.6996(2) 0.4803(3) 0.2722(2) 0.0505(12) Uiso 0.0363 1 d . U P A 3
Eu5 Eu 0.6587(3) 0.4311(7) 0.2212(4) 0.0257(12) Uiso 0.0237 1 d . U P A 3
Eu6 Eu 0.6423(5) 0.4608(8) 0.2132(5) 0.0381(16) Uiso 0.019 1 d . U P A 3
Eu7 Eu 0.678(3) 0.500000 0.211(3) 0.099(6) Uiso 0.008 2 d S U P A 3
C109 C 0.4461(5) 0.1237(14) -0.0034(8) 0.237(7) Uani 1 1 d D U . D 4
H109 H 0.409068 0.113503 -0.006668 0.284 Uiso 1 1 calc R U . D 4
C110 C 0.4728(4) 0.1415(11) 0.0589(8) 0.191(5) Uani 1 1 d D U . D 4
H110 H 0.456319 0.165376 0.095772 0.230 Uiso 1 1 calc R U . D 4
C111 C 0.5268(4) 0.1205(13) 0.0615(10) 0.244(7) Uani 1 1 d D U . D 4
H111 H 0.545179 0.103886 0.103221 0.293 Uiso 1 1 calc R U . D 4


_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
C8 C7 1.322(15) . ?
C8 C9 1.453(11) . ?
C8 C25 1.469(11) . ?
C8 Eu4 2.498(9) . ?
C8 Eu4 2.498(9) 6_565 ?
C8 Eu3 3.137(10) 6_565 ?
C8 Eu3 3.138(10) . ?
C13 C2 1.358(15) . ?
C13 C14 1.364(15) . ?
C13 C12 1.545(15) . ?
C13 Eu6 2.612(17) 6_565 ?
C13 Eu6 2.612(17) . ?
C13 Eu1 2.786(11) 6_565 ?
C13 Eu1 2.786(11) . ?
C13 Eu5 3.129(15) . ?
C13 Eu5 3.129(15) 6_565 ?
C14 C33 1.429(13) . ?
C14 C15 1.450(12) . ?
C14 Eu1 2.794(11) 6_565 ?
C14 Eu1 2.794(11) . ?
C14 Eu6 3.018(17) 6_565 ?
C14 Eu6 3.018(17) . ?
C34 C55 1.41(3) . ?
C34 C35 1.433(13) . ?
C34 C33 1.454(16) . ?
C34 Eu1 3.132(15) 6_565 ?
C34 Eu1 3.132(15) . ?
C74 C73 1.327(12) . ?
C74 C56 1.342(15) . ?
C74 C75 1.359(13) . ?
C1 C2 1.352(16) . ?
C1 C10 1.373(17) . ?
C1 C6 1.433(15) . ?
C2 C3 1.366(15) . ?
C3 C4 1.380(12) . ?
C3 C16 1.400(13) . ?
C4 C18 1.363(15) . ?
C4 C5 1.387(12) . ?
C5 C6 1.367(12) . ?
C5 C21 1.374(14) . ?
C6 C7 1.375(12) . ?
C7 C22 1.399(13) . ?
C9 C10 1.445(17) . ?
C9 C27 1.489(14) . ?
C10 C11 1.29(2) . ?
C11 C29 1.497(16) . ?
C11 C12 1.500(16) . ?
C12 C31 1.459(13) . ?
C15 C16 1.400(18) . ?
C15 C35 1.450(16) . ?
C16 C17 1.384(14) . ?
C17 C37 1.36(2) . ?
C17 C18 1.387(14) . ?
C18 C19 1.393(14) . ?
C19 C39 1.393(14) . ?
C19 C20 1.401(15) . ?
C20 C41 1.377(16) . ?
C20 C21 1.394(14) . ?
C21 C22 1.355(16) . ?
C22 C23 1.424(12) . ?
C23 C24 1.489(18) . ?
C23 C42 1.54(3) . ?
C24 C25 1.474(16) . ?
C24 C45 1.494(14) . ?
C25 C26 1.480(13) . ?
C26 C47 1.40(2) . ?
C26 C27 1.452(14) . ?
C27 C28 1.43(2) . ?
C28 C49 1.33(3) . ?
C28 C29 1.528(19) . ?
C29 C30 1.469(15) . ?
C30 C51 1.469(19) . ?
C30 C31 1.490(17) . ?
C31 C32 1.397(17) . ?
C32 C33 1.434(18) . ?
C32 C53 1.61(3) . ?
C35 C36 1.36(3) . ?
C36 C57 1.43(3) . ?
C36 C37 1.51(2) . ?
C37 C38 1.42(2) . ?
C38 C59 1.414(13) . ?
C38 C39 1.440(15) . ?
C39 C40 1.407(12) . ?
C40 C61 1.335(17) . ?
C40 C41 1.399(15) . ?
C41 C42 1.438(15) . ?
C42 C43 1.45(3) . ?
C43 C44 1.471(16) . ?
C43 C62 1.479(15) . ?
C44 C64 1.481(12) . ?
C44 C45 1.489(11) . ?
C45 C46 1.462(12) . ?
C46 C47 1.476(15) . ?
C46 C66 1.509(13) . ?
C47 C48 1.500(16) . ?
C48 C49 1.37(3) . ?
C48 C67 1.485(16) . ?
C49 C50 1.496(19) . ?
C50 C51 1.384(16) . ?
C50 C69 1.393(14) . ?
C51 C52 1.424(15) . ?
C52 C70 1.396(13) . ?
C52 C53 1.41(2) . ?
C53 C54 1.401(13) . ?
C54 C72 1.391(13) . ?
C54 C55 1.437(15) . ?
C55 C56 1.406(15) . ?
C56 C57 1.404(15) . ?
C57 C58 1.352(16) . ?
C58 C75 1.399(16) . ?
C58 C59 1.458(15) . ?
C59 C60 1.418(13) . ?
C60 C61 1.434(18) . ?
C60 C77 1.437(18) . ?
C61 C62 1.464(17) . ?
C62 C63 1.468(13) . ?
C63 C78 1.404(19) . ?
C63 C64 1.512(16) . ?
C64 C65 1.448(12) . ?
C65 C66 1.437(17) . ?
C65 C80 1.446(14) . ?
C66 C67 1.585(17) . ?
C67 C68 1.44(3) . ?
C68 C69 1.386(12) . ?
C68 C81 1.417(18) . ?
C69 C70 1.386(13) . ?
C70 C71 1.303(17) . ?
C71 C72 1.340(13) . ?
C71 C82 1.346(13) . ?
C72 C73 1.311(15) . ?
C73 C83 1.335(13) . ?
C75 C76 1.353(13) . ?
C76 C84 1.405(13) . ?
C76 C77 1.429(16) . ?
C77 C78 1.429(13) . ?
C78 C79 1.467(17) . ?
C79 C84 1.432(16) . ?
C79 C80 1.486(15) . ?
C80 C81 1.435(14) . ?
C81 C82 1.354(18) . ?
C82 C83 1.316(16) . ?
C83 C84 1.393(13) . ?
C85 C86 1.526(5) . ?
C85 H85A 0.9800 . ?
C85 H85B 0.9800 . ?
C85 H85C 0.9800 . ?
C86 C87 1.489(4) . ?
C86 H86A 0.9900 . ?
C86 H86B 0.9900 . ?
C87 C87 1.360(6) 6_565 ?
C87 C88 1.449(4) . ?
C88 C89 1.371(4) . ?
C88 N1 1.372(3) . ?
C89 C90 1.380(4) . ?
C89 H89 0.9500 . ?
C90 N2 1.364(3) . ?
C90 C91 1.448(4) . ?
C91 C94 1.364(4) . ?
C91 C92 1.490(4) . ?
C92 C93 1.523(6) . ?
C92 H92A 0.9900 . ?
C92 H92B 0.9900 . ?
C93 H93A 0.9800 . ?
C93 H93B 0.9800 . ?
C93 H93C 0.9800 . ?
C94 C97 1.446(4) . ?
C94 C95 1.492(4) . ?
C95 C96 1.526(5) . ?
C95 H95A 0.9900 . ?
C95 H95B 0.9900 . ?
C96 H96A 0.9800 . ?
C96 H96B 0.9800 . ?
C96 H96C 0.9800 . ?
C97 N2 1.369(3) . ?
C97 C98 1.376(4) . ?
C98 C99 1.364(4) . ?
C98 H98 0.9500 . ?
C99 N3 1.379(3) . ?
C99 C100 1.448(3) . ?
C100 C100 1.355(6) 6_565 ?
C100 C101 1.491(4) . ?
C101 C102 1.529(5) . ?
C101 H10A 0.9900 . ?
C101 H10B 0.9900 . ?
C102 H10C 0.9800 . ?
C102 H10D 0.9800 . ?
C102 H10E 0.9800 . ?
C103 C108 1.366(10) . ?
C103 C104 1.374(8) . ?
C103 H103 0.9500 . ?
C104 C105 1.376(9) . ?
C104 H104 0.9500 . ?
C105 C106 1.377(8) . ?
C105 H105 0.9500 . ?
C106 C107 1.375(12) . ?
C106 H106 0.9500 . ?
C107 C108 1.401(13) . ?
C107 H107 0.9500 . ?
C108 H108 0.9500 . ?
N1 Ni 1.954(3) . ?
N2 Ni 1.964(3) . ?
N3 Ni 1.951(3) . ?
Eu1 Eu6 0.843(9) . ?
Eu1 Eu5 1.093(9) . ?
Eu1 Eu2 1.271(5) . ?
Eu1 Eu7 1.41(6) . ?
Eu1 Eu1 1.528(10) 6_565 ?
Eu1 Eu6 1.588(12) 6_565 ?
Eu1 Eu3 1.723(9) 6_565 ?
Eu1 Eu5 2.092(11) 6_565 ?
Eu1 Eu4 2.449(8) . ?
Eu1 Eu3 2.486(7) . ?
Eu1 Eu2 2.520(5) 6_565 ?
Eu1 Eu4 2.628(7) 6_565 ?
Eu2 Eu5 0.681(11) . ?
Eu2 Eu3 0.944(7) 6_565 ?
Eu2 Eu6 1.219(13) . ?
Eu2 Eu7 1.562(9) . ?
Eu2 Eu4 1.916(5) . ?
Eu2 Eu6 2.271(12) 6_565 ?
Eu2 Eu4 2.348(5) 6_565 ?
Eu2 Eu5 2.630(11) 6_565 ?
Eu2 Eu3 2.722(5) . ?
Eu2 Eu2 3.100(3) 6_565 ?
Eu3 Eu5 0.667(9) 6_565 ?
Eu3 Eu4 1.043(8) 6_565 ?
Eu3 Eu6 1.165(15) 6_565 ?
Eu3 Eu7 1.26(4) . ?
Eu3 Eu4 1.529(9) . ?
Eu3 Eu6 1.962(12) . ?
Eu3 Eu3 2.103(10) 6_565 ?
Eu3 Eu5 2.196(9) . ?
Eu4 Eu4 0.595(10) 6_565 ?
Eu4 Eu7 1.32(7) . ?
Eu4 Eu5 1.575(8) . ?
Eu4 Eu6 1.811(13) . ?
Eu4 Eu5 1.928(10) 6_565 ?
Eu4 Eu6 1.996(11) 6_565 ?
Eu5 Eu6 0.622(10) . ?
Eu5 Eu7 1.17(3) . ?
Eu5 Eu6 1.690(19) 6_565 ?
Eu5 Eu5 2.08(2) 6_565 ?
Eu6 Eu7 1.08(6) . ?
Eu6 Eu6 1.19(2) 6_565 ?
C109 C110 1.386(9) . ?
C109 C111 1.40(2) 2_655 ?
C109 H109 0.9500 . ?
C110 C111 1.403(9) . ?
C110 H110 0.9500 . ?
C111 H111 0.9500 . ?

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
C7 C8 C9 125.1(12) . . ?
C7 C8 C25 123.5(10) . . ?
C9 C8 C25 104.3(8) . . ?
C7 C8 Eu4 78.8(11) . 6_565 ?
C9 C8 Eu4 83.0(7) . 6_565 ?
C25 C8 Eu4 82.1(5) . 6_565 ?
C7 C8 Eu3 100.5(11) . 6_565 ?
C9 C8 Eu3 54.8(7) . 6_565 ?
C25 C8 Eu3 85.5(5) . 6_565 ?
Eu4 C8 Eu3 28.73(17) . . ?
Eu4 C8 Eu3 16.93(16) 6_565 . ?
Eu3 C8 Eu3 39.16(19) 6_565 . ?
C2 C13 C14 140.9(8) . . ?
C2 C13 C12 108.2(14) . . ?
C14 C13 C12 103.9(8) . . ?
C2 C13 Eu6 64.5(7) . 6_565 ?
C14 C13 Eu6 93.4(7) . 6_565 ?
C12 C13 Eu6 91.2(9) . 6_565 ?
C14 C13 Eu6 93.4(7) . . ?
Eu6 C13 Eu6 26.2(5) 6_565 . ?
C2 C13 Eu1 77.6(7) . 6_565 ?
C14 C13 Eu1 76.2(6) . 6_565 ?
C12 C13 Eu1 98.4(8) . 6_565 ?
C14 C13 Eu1 76.2(6) . . ?
Eu6 C13 Eu1 34.0(3) 6_565 . ?
Eu6 C13 Eu1 17.6(2) . . ?
Eu1 C13 Eu1 31.8(2) 6_565 . ?
C14 C13 Eu5 96.2(6) . . ?
Eu6 C13 Eu5 32.7(4) 6_565 . ?
Eu6 C13 Eu5 7.0(3) . . ?
Eu1 C13 Eu5 40.9(2) 6_565 . ?
Eu1 C13 Eu5 20.2(2) . . ?
C2 C13 Eu5 58.8(7) . 6_565 ?
C14 C13 Eu5 96.2(6) . 6_565 ?
C12 C13 Eu5 96.7(9) . 6_565 ?
C13 C14 C33 137.0(10) . . ?
C13 C14 C15 104.5(8) . . ?
C33 C14 C15 105.9(10) . . ?
C13 C14 Eu1 75.5(6) . 6_565 ?
C33 C14 Eu1 91.0(11) . 6_565 ?
C15 C14 Eu1 64.5(8) . 6_565 ?
C13 C14 Eu1 75.5(6) . . ?
Eu1 C14 Eu1 31.7(2) 6_565 . ?
C13 C14 Eu6 59.8(6) . 6_565 ?
C33 C14 Eu6 100.9(12) . 6_565 ?
C15 C14 Eu6 74.2(8) . 6_565 ?
C13 C14 Eu6 59.8(6) . . ?
Eu1 C14 Eu6 31.4(3) 6_565 . ?
Eu1 C14 Eu6 16.1(2) . . ?
Eu6 C14 Eu6 22.6(4) 6_565 . ?
C55 C34 C35 125.4(15) . . ?
C55 C34 C33 113.8(11) . . ?
C35 C34 C33 109.7(12) . . ?
C55 C34 Eu1 95.6(10) . 6_565 ?
C35 C34 Eu1 63.2(8) . 6_565 ?
C33 C34 Eu1 77.7(11) . 6_565 ?
Eu1 C34 Eu1 28.2(2) 6_565 . ?
C73 C74 C56 117.9(15) . . ?
C73 C74 C75 130.3(17) . . ?
C56 C74 C75 105.2(10) . . ?
C2 C1 C10 126.5(16) . . ?
C2 C1 C6 111.5(13) . . ?
C10 C1 C6 114.3(14) . . ?
C1 C2 C13 126.5(14) . . ?
C1 C2 C3 123.1(14) . . ?
C13 C2 C3 105.6(12) . . ?
C2 C3 C4 121.1(15) . . ?
C2 C3 C16 127.1(15) . . ?
C4 C3 C16 105.3(11) . . ?
C18 C4 C3 110.5(12) . . ?
C18 C4 C5 114.2(16) . . ?
C3 C4 C5 121.8(15) . . ?
C6 C5 C21 116.4(12) . . ?
C6 C5 C4 111.9(13) . . ?
C21 C5 C4 124.7(15) . . ?
C5 C6 C7 96.2(10) . . ?
C5 C6 C1 130.0(14) . . ?
C7 C6 C1 127.9(15) . . ?
C8 C7 C6 114.8(14) . . ?
C8 C7 C22 113.6(15) . . ?
C6 C7 C22 116.7(12) . . ?
C10 C9 C8 115.6(13) . . ?
C10 C9 C27 126.7(12) . . ?
C8 C9 C27 109.8(9) . . ?
C11 C10 C1 115.6(17) . . ?
C11 C10 C9 117.2(15) . . ?
C1 C10 C9 122.3(16) . . ?
C10 C11 C29 117.6(14) . . ?
C10 C11 C12 121.6(16) . . ?
C29 C11 C12 113.7(10) . . ?
C31 C12 C11 103.4(10) . . ?
C31 C12 C13 123.7(14) . . ?
C11 C12 C13 120.8(14) . . ?
C16 C15 C14 124.4(12) . . ?
C16 C15 C35 119.3(12) . . ?
C14 C15 C35 111.0(11) . . ?
C17 C16 C15 118.9(16) . . ?
C17 C16 C3 107.3(11) . . ?
C15 C16 C3 115.8(15) . . ?
C37 C17 C16 124.1(14) . . ?
C37 C17 C18 121.0(13) . . ?
C16 C17 C18 108.4(11) . . ?
C4 C18 C17 106.4(11) . . ?
C4 C18 C19 121.9(16) . . ?
C17 C18 C19 123.8(15) . . ?
C39 C19 C18 116.2(13) . . ?
C39 C19 C20 107.6(10) . . ?
C18 C19 C20 123.8(15) . . ?
C41 C20 C21 128(2) . . ?
C41 C20 C19 111.0(11) . . ?
C21 C20 C19 113.1(15) . . ?
C22 C21 C5 106.1(12) . . ?
C22 C21 C20 119.8(19) . . ?
C5 C21 C20 121.2(16) . . ?
C21 C22 C7 102.3(11) . . ?
C21 C22 C23 119(2) . . ?
C7 C22 C23 128.3(18) . . ?
C22 C23 C24 118.9(18) . . ?
C22 C23 C42 118.8(19) . . ?
C24 C23 C42 117.7(17) . . ?
C25 C24 C23 110.4(14) . . ?
C25 C24 C45 123.4(13) . . ?
C23 C24 C45 117.6(15) . . ?
C8 C25 C24 123.7(9) . . ?
C8 C25 C26 112.3(9) . . ?
C24 C25 C26 113.0(11) . . ?
C47 C26 C27 117.0(13) . . ?
C47 C26 C25 126.4(12) . . ?
C27 C26 C25 104.8(10) . . ?
C28 C27 C26 122.3(15) . . ?
C28 C27 C9 119.7(13) . . ?
C26 C27 C9 108.8(9) . . ?
C49 C28 C27 119.3(16) . . ?
C49 C28 C29 126.6(17) . . ?
C27 C28 C29 107.9(14) . . ?
C30 C29 C11 101.7(10) . . ?
C30 C29 C28 119.3(15) . . ?
C11 C29 C28 128.7(12) . . ?
C29 C30 C51 109.6(16) . . ?
C29 C30 C31 111.3(12) . . ?
C51 C30 C31 121.7(18) . . ?
C32 C31 C12 119.4(15) . . ?
C32 C31 C30 128.4(18) . . ?
C12 C31 C30 109.0(11) . . ?
C31 C32 C33 120.9(15) . . ?
C31 C32 C53 107(2) . . ?
C33 C32 C53 114.0(19) . . ?
C14 C33 C32 111.9(12) . . ?
C14 C33 C34 108.5(11) . . ?
C32 C33 C34 130.9(18) . . ?
C36 C35 C34 123.6(17) . . ?
C36 C35 C15 120.7(14) . . ?
C34 C35 C15 105.0(11) . . ?
C35 C36 C57 113.2(16) . . ?
C35 C36 C37 119(2) . . ?
C57 C36 C37 117.9(18) . . ?
C17 C37 C38 117.9(13) . . ?
C17 C37 C36 117.2(17) . . ?
C38 C37 C36 116.2(18) . . ?
C59 C38 C37 124.8(14) . . ?
C59 C38 C39 110.1(13) . . ?
C37 C38 C39 120.3(15) . . ?
C19 C39 C40 105.5(9) . . ?
C19 C39 C38 120.6(12) . . ?
C40 C39 C38 125.2(13) . . ?
C61 C40 C41 114.4(16) . . ?
C61 C40 C39 125.5(13) . . ?
C41 C40 C39 111.3(11) . . ?
C20 C41 C40 104.4(11) . . ?
C20 C41 C42 114(2) . . ?
C40 C41 C42 133(2) . . ?
C41 C42 C43 112.0(19) . . ?
C41 C42 C23 119(2) . . ?
C43 C42 C23 120(2) . . ?
C42 C43 C44 125.2(19) . . ?
C42 C43 C62 115.1(16) . . ?
C44 C43 C62 110.5(12) . . ?
C43 C44 C64 105.3(11) . . ?
C43 C44 C45 113.1(17) . . ?
C64 C44 C45 127.8(13) . . ?
C46 C45 C44 108.1(13) . . ?
C46 C45 C24 118.6(15) . . ?
C44 C45 C24 126.5(16) . . ?
C45 C46 C47 119.1(14) . . ?
C45 C46 C66 120.8(13) . . ?
C47 C46 C66 105.5(11) . . ?
C26 C47 C46 119.4(14) . . ?
C26 C47 C48 118.2(13) . . ?
C46 C47 C48 110.3(11) . . ?
C49 C48 C67 121.6(17) . . ?
C49 C48 C47 120.1(14) . . ?
C67 C48 C47 110.9(11) . . ?
C28 C49 C48 122.6(15) . . ?
C28 C49 C50 116(2) . . ?
C48 C49 C50 112(2) . . ?
C51 C50 C69 108.7(11) . . ?
C51 C50 C49 117.5(19) . . ?
C69 C50 C49 125.7(18) . . ?
C50 C51 C52 108.5(11) . . ?
C50 C51 C30 131.0(17) . . ?
C52 C51 C30 110.3(17) . . ?
C70 C52 C53 118.7(17) . . ?
C70 C52 C51 105.0(12) . . ?
C53 C52 C51 129(2) . . ?
C54 C53 C52 120.8(19) . . ?
C54 C53 C32 110.4(19) . . ?
C52 C53 C32 120.8(18) . . ?
C72 C54 C53 112.0(17) . . ?
C72 C54 C55 111(2) . . ?
C53 C54 C55 132(2) . . ?
C56 C55 C34 107.1(15) . . ?
C56 C55 C54 128(2) . . ?
C34 C55 C54 118.4(16) . . ?
C74 C56 C57 107.2(11) . . ?
C74 C56 C55 113.0(16) . . ?
C57 C56 C55 127.3(13) . . ?
C58 C57 C56 110.4(12) . . ?
C58 C57 C36 122.8(15) . . ?
C56 C57 C36 120.7(15) . . ?
C57 C58 C75 101.7(11) . . ?
C57 C58 C59 121.7(16) . . ?
C75 C58 C59 133.5(19) . . ?
C38 C59 C60 120.9(14) . . ?
C38 C59 C58 116.4(14) . . ?
C60 C59 C58 113.6(17) . . ?
C59 C60 C61 127.2(15) . . ?
C59 C60 C77 115.8(16) . . ?
C61 C60 C77 110.5(15) . . ?
C40 C61 C60 109.8(14) . . ?
C40 C61 C62 118.8(16) . . ?
C60 C61 C62 126.2(15) . . ?
C61 C62 C63 119.1(13) . . ?
C61 C62 C43 125.1(15) . . ?
C63 C62 C43 107.9(11) . . ?
C78 C63 C62 115.6(14) . . ?
C78 C63 C64 125.1(18) . . ?
C62 C63 C64 106.0(10) . . ?
C65 C64 C44 121.5(14) . . ?
C65 C64 C63 115.9(17) . . ?
C44 C64 C63 109.7(10) . . ?
C66 C65 C80 119.5(19) . . ?
C66 C65 C64 109.7(15) . . ?
C80 C65 C64 127(2) . . ?
C65 C66 C46 128.2(16) . . ?
C65 C66 C67 111.2(16) . . ?
C46 C66 C67 110.5(10) . . ?
C68 C67 C48 123.6(16) . . ?
C68 C67 C66 125.7(15) . . ?
C48 C67 C66 102.8(10) . . ?
C69 C68 C81 119.2(17) . . ?
C69 C68 C67 114.1(18) . . ?
C81 C68 C67 119.2(19) . . ?
C70 C69 C68 123.7(15) . . ?
C70 C69 C50 106.8(11) . . ?
C68 C69 C50 122.1(17) . . ?
C71 C70 C69 113.8(17) . . ?
C71 C70 C52 121.6(17) . . ?
C69 C70 C52 110.3(12) . . ?
C70 C71 C72 117.1(17) . . ?
C70 C71 C82 125.6(18) . . ?
C72 C71 C82 111.3(13) . . ?
C73 C72 C71 101.5(12) . . ?
C73 C72 C54 116(2) . . ?
C71 C72 C54 127.4(18) . . ?
C72 C73 C74 131.6(18) . . ?
C72 C73 C83 115.0(12) . . ?
C74 C73 C83 111.1(17) . . ?
C76 C75 C74 112.9(18) . . ?
C76 C75 C58 106.7(19) . . ?
C74 C75 C58 111.0(12) . . ?
C75 C76 C84 121.6(17) . . ?
C75 C76 C77 126.0(17) . . ?
C84 C76 C77 110.1(12) . . ?
C78 C77 C76 104.6(12) . . ?
C78 C77 C60 126.0(17) . . ?
C76 C77 C60 122.0(18) . . ?
C63 C78 C77 122.4(17) . . ?
C63 C78 C79 110(2) . . ?
C77 C78 C79 109.5(12) . . ?
C84 C79 C78 103.5(12) . . ?
C84 C79 C80 117.7(19) . . ?
C78 C79 C80 133(2) . . ?
C81 C80 C65 128.8(19) . . ?
C81 C80 C79 114.7(19) . . ?
C65 C80 C79 108.1(19) . . ?
C82 C81 C68 114.4(17) . . ?
C82 C81 C80 122.7(18) . . ?
C68 C81 C80 115.2(18) . . ?
C83 C82 C71 107.6(12) . . ?
C83 C82 C81 123.4(18) . . ?
C71 C82 C81 123.2(17) . . ?
C82 C83 C73 104.0(12) . . ?
C82 C83 C84 119.5(18) . . ?
C73 C83 C84 126.7(18) . . ?
C83 C84 C76 113.5(16) . . ?
C83 C84 C79 121.6(18) . . ?
C76 C84 C79 108.9(12) . . ?
C86 C85 H85A 109.5 . . ?
C86 C85 H85B 109.5 . . ?
H85A C85 H85B 109.5 . . ?
C86 C85 H85C 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
C87 C86 C85 113.3(3) . . ?
C87 C86 H86A 108.9 . . ?
C85 C86 H86A 108.9 . . ?
C87 C86 H86B 108.9 . . ?
C85 C86 H86B 108.9 . . ?
H86A C86 H86B 107.7 . . ?
C87 C87 C88 106.16(17) 6_565 . ?
C87 C87 C86 129.03(18) 6_565 . ?
C88 C87 C86 124.7(3) . . ?
C89 C88 N1 125.4(2) . . ?
C89 C88 C87 122.9(3) . . ?
N1 C88 C87 111.7(3) . . ?
C88 C89 C90 123.7(3) . . ?
C88 C89 H89 118.1 . . ?
C90 C89 H89 118.1 . . ?
N2 C90 C89 125.3(3) . . ?
N2 C90 C91 111.9(2) . . ?
C89 C90 C91 122.8(3) . . ?
C94 C91 C90 105.8(2) . . ?
C94 C91 C92 128.8(3) . . ?
C90 C91 C92 125.4(3) . . ?
C91 C92 C93 113.2(3) . . ?
C91 C92 H92A 108.9 . . ?
C93 C92 H92A 108.9 . . ?
C91 C92 H92B 108.9 . . ?
C93 C92 H92B 108.9 . . ?
H92A C92 H92B 107.7 . . ?
C92 C93 H93A 109.5 . . ?
C92 C93 H93B 109.5 . . ?
H93A C93 H93B 109.5 . . ?
C92 C93 H93C 109.5 . . ?
H93A C93 H93C 109.5 . . ?
H93B C93 H93C 109.5 . . ?
C91 C94 C97 106.3(2) . . ?
C91 C94 C95 128.9(3) . . ?
C97 C94 C95 124.7(3) . . ?
C94 C95 C96 113.7(3) . . ?
C94 C95 H95A 108.8 . . ?
C96 C95 H95A 108.8 . . ?
C94 C95 H95B 108.8 . . ?
C96 C95 H95B 108.8 . . ?
H95A C95 H95B 107.7 . . ?
C95 C96 H96A 109.5 . . ?
C95 C96 H96B 109.5 . . ?
H96A C96 H96B 109.5 . . ?
C95 C96 H96C 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 109.5 . . ?
N2 C97 C98 125.3(3) . . ?
N2 C97 C94 111.4(2) . . ?
C98 C97 C94 123.2(3) . . ?
C99 C98 C97 124.0(3) . . ?
C99 C98 H98 118.0 . . ?
C97 C98 H98 118.0 . . ?
C98 C99 N3 125.2(2) . . ?
C98 C99 C100 123.3(2) . . ?
N3 C99 C100 111.5(2) . . ?
C100 C100 C99 106.46(16) 6_565 . ?
C100 C100 C101 128.80(16) 6_565 . ?
C99 C100 C101 124.6(3) . . ?
C100 C101 C102 111.8(3) . . ?
C100 C101 H10A 109.3 . . ?
C102 C101 H10A 109.3 . . ?
C100 C101 H10B 109.3 . . ?
C102 C101 H10B 109.3 . . ?
H10A C101 H10B 107.9 . . ?
C101 C102 H10C 109.5 . . ?
C101 C102 H10D 109.5 . . ?
H10C C102 H10D 109.5 . . ?
C101 C102 H10E 109.5 . . ?
H10C C102 H10E 109.5 . . ?
H10D C102 H10E 109.5 . . ?
C108 C103 C104 120.0(7) . . ?
C108 C103 H103 120.0 . . ?
C104 C103 H103 120.0 . . ?
C103 C104 C105 120.4(5) . . ?
C103 C104 H104 119.8 . . ?
C105 C104 H104 119.8 . . ?
C104 C105 C106 121.0(6) . . ?
C104 C105 H105 119.5 . . ?
C106 C105 H105 119.5 . . ?
C107 C106 C105 118.2(7) . . ?
C107 C106 H106 120.9 . . ?
C105 C106 H106 120.9 . . ?
C106 C107 C108 121.3(6) . . ?
C106 C107 H107 119.4 . . ?
C108 C107 H107 119.4 . . ?
C103 C108 C107 119.1(7) . . ?
C103 C108 H108 120.4 . . ?
C107 C108 H108 120.4 . . ?
C88 N1 C88 104.3(3) 6_565 . ?
C88 N1 Ni 127.84(15) 6_565 . ?
C88 N1 Ni 127.85(15) . . ?
C90 N2 C97 104.6(2) . . ?
C90 N2 Ni 127.76(18) . . ?
C97 N2 Ni 127.59(18) . . ?
C99 N3 C99 104.2(3) 6_565 . ?
C99 N3 Ni 127.86(15) 6_565 . ?
C99 N3 Ni 127.86(15) . . ?
N3 Ni N1 177.83(13) . . ?
N3 Ni N2 89.97(6) . . ?
N1 Ni N2 89.98(6) . . ?
N2 Ni N2 177.71(13) 6_565 . ?
Eu6 Eu1 Eu5 34.5(8) . . ?
Eu6 Eu1 Eu2 66.9(10) . . ?
Eu5 Eu1 Eu2 32.4(6) . . ?
Eu6 Eu1 Eu7 50(3) . . ?
Eu5 Eu1 Eu7 54(2) . . ?
Eu2 Eu1 Eu7 70.9(16) . . ?
Eu6 Eu1 Eu4 33.8(9) . . ?
Eu5 Eu1 Eu4 28.3(5) . . ?
Eu2 Eu1 Eu4 50.7(3) . . ?
Eu7 Eu1 Eu4 26(2) . . ?
Eu1 Eu1 Eu4 79.02(17) 6_565 . ?
Eu6 Eu1 Eu4 54.3(4) 6_565 . ?
Eu3 Eu1 Eu4 21.0(2) 6_565 . ?
Eu5 Eu1 Eu4 49.5(3) 6_565 . ?
Eu6 Eu1 Eu3 43.5(8) . . ?
Eu5 Eu1 Eu3 62.0(6) . . ?
Eu2 Eu1 Eu3 86.5(3) . . ?
Eu7 Eu1 Eu3 20(2) . . ?
Eu1 Eu1 Eu3 43.1(2) 6_565 . ?
Eu6 Eu1 Eu3 21.5(4) 6_565 . ?
Eu3 Eu1 Eu3 56.5(4) 6_565 . ?
Eu5 Eu1 Eu3 13.6(2) 6_565 . ?
Eu4 Eu1 Eu3 36.1(2) . . ?
Eu5 Eu2 Eu6 19.8(8) . . ?
Eu3 Eu2 Eu6 63.7(7) 6_565 . ?
Eu5 Eu2 Eu1 59.3(7) . . ?
Eu3 Eu2 Eu1 101.1(5) 6_565 . ?
Eu6 Eu2 Eu1 39.5(5) . . ?
Eu5 Eu2 Eu7 44(3) . . ?
Eu3 Eu2 Eu7 54(3) 6_565 . ?
Eu6 Eu2 Eu7 44(3) . . ?
Eu1 Eu2 Eu7 59(3) . . ?
Eu5 Eu2 Eu4 50.7(7) . . ?
Eu3 Eu2 Eu4 16.3(3) 6_565 . ?
Eu6 Eu2 Eu4 66.3(5) . . ?
Eu1 Eu2 Eu4 98.4(3) . . ?
Eu7 Eu2 Eu4 43(3) . . ?
Eu5 Eu2 Eu3 34.7(6) . . ?
Eu3 Eu2 Eu3 41.0(3) 6_565 . ?
Eu6 Eu2 Eu3 40.5(5) . . ?
Eu1 Eu2 Eu3 65.7(3) . . ?
Eu7 Eu2 Eu3 14(3) . . ?
Eu4 Eu2 Eu3 33.1(2) . . ?
Eu6 Eu2 Eu3 25.0(4) 6_565 . ?
Eu4 Eu2 Eu3 22.21(18) 6_565 . ?
Eu1 Eu2 Eu3 38.1(2) 6_565 . ?
Eu5 Eu2 Eu3 14.19(19) 6_565 . ?
Eu5 Eu3 Eu7 67(3) 6_565 . ?
Eu2 Eu3 Eu7 89(3) 6_565 . ?
Eu4 Eu3 Eu7 70(3) 6_565 . ?
Eu6 Eu3 Eu7 53(3) 6_565 . ?
Eu5 Eu3 Eu4 117.2(12) 6_565 . ?
Eu2 Eu3 Eu4 142.2(4) 6_565 . ?
Eu4 Eu3 Eu4 15.6(3) 6_565 . ?
Eu6 Eu3 Eu4 94.6(6) 6_565 . ?
Eu7 Eu3 Eu4 56(3) . . ?
Eu5 Eu3 Eu6 56.6(14) 6_565 . ?
Eu2 Eu3 Eu6 96.5(6) 6_565 . ?
Eu4 Eu3 Eu6 76.5(5) 6_565 . ?
Eu6 Eu3 Eu6 33.7(8) 6_565 . ?
Eu7 Eu3 Eu6 30(3) . . ?
Eu4 Eu3 Eu6 61.0(5) . . ?
Eu1 Eu3 Eu6 50.5(4) 6_565 . ?
Eu5 Eu3 Eu5 71.4(12) 6_565 . ?
Eu2 Eu3 Eu5 106.9(4) 6_565 . ?
Eu4 Eu3 Eu5 61.4(4) 6_565 . ?
Eu6 Eu3 Eu5 49.5(7) 6_565 . ?
Eu7 Eu3 Eu5 24(3) . . ?
Eu4 Eu3 Eu5 45.8(3) . . ?
Eu1 Eu3 Eu5 63.2(3) 6_565 . ?
Eu6 Eu3 Eu5 16.0(3) . . ?
Eu3 Eu3 Eu5 17.7(3) 6_565 . ?
Eu5 Eu3 Eu1 47.3(10) 6_565 . ?
Eu2 Eu3 Eu1 81.2(4) 6_565 . ?
Eu4 Eu3 Eu1 86.0(4) 6_565 . ?
Eu6 Eu3 Eu1 30.0(5) 6_565 . ?
Eu7 Eu3 Eu1 23(3) . . ?
Eu4 Eu3 Eu1 70.6(3) . . ?
Eu1 Eu3 Eu1 37.3(3) 6_565 . ?
Eu6 Eu3 Eu1 17.2(3) . . ?
Eu3 Eu3 Eu1 43.1(2) 6_565 . ?
Eu5 Eu3 Eu1 26.1(2) . . ?
Eu5 Eu3 Eu2 75.1(10) 6_565 . ?
Eu2 Eu3 Eu2 104.7(3) 6_565 . ?
Eu4 Eu3 Eu2 58.3(3) 6_565 . ?
Eu6 Eu3 Eu2 55.3(6) 6_565 . ?
Eu7 Eu3 Eu2 17(3) . . ?
Eu4 Eu3 Eu2 43.1(2) . . ?
Eu1 Eu3 Eu2 64.6(2) 6_565 . ?
Eu6 Eu3 Eu2 23.8(4) . . ?
Eu3 Eu3 Eu2 17.14(14) 6_565 . ?
Eu5 Eu3 Eu2 10.2(2) . . ?
Eu1 Eu3 Eu2 27.78(14) . . ?
Eu4 Eu4 Eu7 77.0(7) 6_565 . ?
Eu3 Eu4 Eu7 62.9(13) 6_565 . ?
Eu4 Eu4 Eu3 28.1(3) 6_565 . ?
Eu3 Eu4 Eu3 108.2(6) 6_565 . ?
Eu7 Eu4 Eu3 51.7(10) . . ?
Eu4 Eu4 Eu5 118.2(4) 6_565 . ?
Eu3 Eu4 Eu5 18.1(5) 6_565 . ?
Eu7 Eu4 Eu5 46.7(17) . . ?
Eu3 Eu4 Eu5 90.1(5) . . ?
Eu4 Eu4 Eu6 99.4(4) 6_565 . ?
Eu3 Eu4 Eu6 37.2(5) 6_565 . ?
Eu7 Eu4 Eu6 36(3) . . ?
Eu3 Eu4 Eu6 71.4(5) . . ?
Eu5 Eu4 Eu6 19.6(4) . . ?
Eu4 Eu4 Eu2 130.83(15) 6_565 . ?
Eu3 Eu4 Eu2 14.7(2) 6_565 . ?
Eu7 Eu4 Eu2 54.0(8) . . ?
Eu3 Eu4 Eu2 103.8(3) . . ?
Eu5 Eu4 Eu2 19.6(4) . . ?
Eu6 Eu4 Eu2 38.0(4) . . ?
Eu4 Eu4 Eu1 100.98(17) 6_565 . ?
Eu3 Eu4 Eu1 36.3(3) 6_565 . ?
Eu7 Eu4 Eu1 27.5(17) . . ?
Eu3 Eu4 Eu1 73.3(3) . . ?
Eu5 Eu4 Eu1 19.2(3) . . ?
Eu6 Eu4 Eu1 15.0(3) . . ?
Eu2 Eu4 Eu1 30.89(16) . . ?
Eu5 Eu4 Eu1 55.6(3) 6_565 . ?
Eu6 Eu4 Eu1 40.3(4) 6_565 . ?
Eu2 Eu4 Eu1 63.34(18) 6_565 . ?
Eu4 Eu4 C8 83.17(12) 6_565 . ?
Eu3 Eu4 C8 118.8(4) 6_565 . ?
Eu7 Eu4 C8 143(3) . . ?
Eu3 Eu4 C8 99.5(3) . . ?
Eu5 Eu4 C8 124.8(5) . . ?
Eu6 Eu4 C8 120.6(5) . . ?
Eu2 Eu4 C8 133.4(3) . . ?
Eu5 Eu4 C8 109.7(4) 6_565 . ?
Eu6 Eu4 C8 113.0(4) 6_565 . ?
Eu2 Eu4 C8 113.8(2) 6_565 . ?
Eu1 Eu4 C8 135.5(4) . . ?
Eu6 Eu5 Eu2 138.4(17) . . ?
Eu3 Eu5 Eu2 88.9(15) 6_565 . ?
Eu6 Eu5 Eu1 50.1(11) . . ?
Eu3 Eu5 Eu1 155.4(11) 6_565 . ?
Eu2 Eu5 Eu1 88.3(9) . . ?
Eu6 Eu5 Eu7 66(3) . . ?
Eu3 Eu5 Eu7 81(4) 6_565 . ?
Eu2 Eu5 Eu7 112(3) . . ?
Eu1 Eu5 Eu7 77(3) . . ?
Eu6 Eu5 Eu4 102.1(15) . . ?
Eu3 Eu5 Eu4 29.1(8) 6_565 . ?
Eu2 Eu5 Eu4 109.8(9) . . ?
Eu1 Eu5 Eu4 132.4(8) . . ?
Eu7 Eu5 Eu4 55(3) . . ?
Eu6 Eu5 Eu3 60.1(13) . . ?
Eu3 Eu5 Eu3 73.2(11) 6_565 . ?
Eu2 Eu5 Eu3 135.1(8) . . ?
Eu1 Eu5 Eu3 91.9(7) . . ?
Eu7 Eu5 Eu3 26(3) . . ?
Eu4 Eu5 Eu3 44.1(4) . . ?
Eu6 Eu5 Eu3 31.6(6) 6_565 . ?
Eu4 Eu5 Eu3 28.4(3) 6_565 . ?
Eu5 Eu5 Eu3 17.7(3) 6_565 . ?
Eu1 Eu5 Eu3 47.3(3) 6_565 . ?
Eu5 Eu6 Eu1 95.4(16) . . ?
Eu5 Eu6 Eu7 82(3) . . ?
Eu1 Eu6 Eu7 94(4) . . ?
Eu5 Eu6 Eu2 21.8(10) . . ?
Eu1 Eu6 Eu2 73.6(9) . . ?
Eu7 Eu6 Eu2 85(2) . . ?
Eu3 Eu6 Eu2 46.6(7) 6_565 . ?
Eu6 Eu6 Eu2 141.8(5) 6_565 . ?
Eu5 Eu6 Eu4 58.2(13) . . ?
Eu1 Eu6 Eu4 131.1(11) . . ?
Eu7 Eu6 Eu4 46(4) . . ?
Eu3 Eu6 Eu4 32.8(4) 6_565 . ?
Eu6 Eu6 Eu4 80.6(4) 6_565 . ?
Eu2 Eu6 Eu4 75.6(7) . . ?
Eu1 Eu6 Eu4 101.1(6) 6_565 . ?
Eu5 Eu6 Eu4 66.7(5) 6_565 . ?
Eu5 Eu6 Eu3 103.9(15) . . ?
Eu1 Eu6 Eu3 119.3(10) . . ?
Eu7 Eu6 Eu3 36(3) . . ?
Eu3 Eu6 Eu3 80.1(7) 6_565 . ?
Eu6 Eu6 Eu3 33.1(4) 6_565 . ?
Eu2 Eu6 Eu3 115.7(8) . . ?
Eu1 Eu6 Eu3 56.9(4) 6_565 . ?
Eu5 Eu6 Eu3 19.3(3) 6_565 . ?
Eu4 Eu6 Eu3 47.6(4) . . ?
Eu6 Eu7 Eu5 31.8(13) . . ?
Eu6 Eu7 Eu5 97(5) 6_565 . ?
Eu5 Eu7 Eu5 125(6) 6_565 . ?
Eu6 Eu7 Eu3 114(6) . . ?
Eu6 Eu7 Eu3 59(2) 6_565 . ?
Eu5 Eu7 Eu3 31.6(10) 6_565 . ?
Eu5 Eu7 Eu3 129(6) . . ?
Eu6 Eu7 Eu4 97(4) . . ?
Eu6 Eu7 Eu4 112(5) 6_565 . ?
Eu5 Eu7 Eu4 101(4) 6_565 . ?
Eu5 Eu7 Eu4 78(3) . . ?
Eu3 Eu7 Eu4 73(3) . . ?
Eu3 Eu7 Eu4 48(2) 6_565 . ?
Eu4 Eu7 Eu4 26.0(14) 6_565 . ?
Eu6 Eu7 Eu1 36(2) . . ?
Eu6 Eu7 Eu1 78(4) 6_565 . ?
Eu5 Eu7 Eu1 108(5) 6_565 . ?
Eu5 Eu7 Eu1 49(2) . . ?
Eu3 Eu7 Eu1 137(5) . . ?
Eu3 Eu7 Eu1 80(2) 6_565 . ?
Eu4 Eu7 Eu1 147(5) 6_565 . ?
Eu4 Eu7 Eu1 127(3) . . ?
Eu6 Eu7 Eu2 51.0(9) . . ?
Eu6 Eu7 Eu2 117(5) 6_565 . ?
Eu5 Eu7 Eu2 148(6) 6_565 . ?
Eu5 Eu7 Eu2 23.8(7) . . ?
Eu3 Eu7 Eu2 150(5) . . ?
Eu3 Eu7 Eu2 37.2(4) 6_565 . ?
Eu4 Eu7 Eu2 109(3) 6_565 . ?
Eu4 Eu7 Eu2 82.7(19) . . ?
Eu1 Eu7 Eu2 50.3(11) . . ?
Eu1 Eu7 Eu2 116(4) 6_565 . ?
Eu2 Eu7 Eu2 166(5) 6_565 . ?
C110 C109 C111 120.8(12) . 2_655 ?
C110 C109 H109 119.6 . . ?
C111 C109 H109 119.6 2_655 . ?
C109 C110 C111 112.7(11) . . ?
C109 C110 H110 123.7 . . ?
C111 C110 H110 123.7 . . ?
C110 C111 H111 119.6 . . ?
C109 C111 H111 119.6 2_655 . ?

_refine_diff_density_max         1.210
_refine_diff_density_min         -1.901
_refine_diff_density_rms         0.120

