#------------------------------------------------------------------------------
#$Date: 2018-12-18 01:24:53 +0200 (Tue, 18 Dec 2018) $
#$Revision: 212627 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/03/1550369.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1550369
loop_
_publ_author_name
'Bao, Lipiao'
'Yu, Pengyuan'
'Pan, Changwang'
'Shen, Wangqiang'
'Lu, Xing'
_publ_section_title
;
 Crystallographic identification of Eu@C2n (2n = 88, 86 and 84):
 completing a transformation map for existing metallofullerenes
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/C8SC04906H
_journal_year                    2019
_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
_chemical_name_common            'Eu@C2(11)-C80 Ni(OEP) 2(C6H6)'
_chemical_name_systematic        'Eu@C2(11)-C80 Ni(OEP) 2(C6H6)'
_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2018-09-16 deposited with the CCDC.
2018-12-17 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 95.200(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   25.386(6)
_cell_length_b                   15.123(6)
_cell_length_c                   19.953(5)
_cell_measurement_reflns_used    9923
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.393
_cell_measurement_theta_min      2.422
_cell_volume                     7629(4)
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD MX-300'
_diffrn_measurement_method       'phi scans'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.6525
_diffrn_reflns_av_R_equivalents  0.0596
_diffrn_reflns_av_unetI/netI     0.0364
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            67271
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        23.048
_diffrn_reflns_theta_max         25.472
_diffrn_reflns_theta_min         1.440
_diffrn_source                   'SSRF, Beamline B17B1'
_exptl_absorpt_coefficient_mu    0.899
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6965
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.662
_exptl_crystal_description       block
_exptl_crystal_F_000             3868
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.310
_exptl_crystal_size_min          0.270
_refine_diff_density_max         1.210
_refine_diff_density_min         -1.901
_refine_diff_density_rms         0.120
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1034
_refine_ls_number_reflns         9490
_refine_ls_number_restraints     1843
_refine_ls_restrained_S_all      1.327
_refine_ls_R_factor_all          0.0985
_refine_ls_R_factor_gt           0.0898
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1906P)²+15.8440P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2658
_refine_ls_wR_factor_ref         0.2773
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8187
_reflns_number_total             9490
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8sc04906h2.cif
_cod_data_source_block           lb169
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_database_code               1550369
_shelx_shelxl_version_number     2016/6
_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.
;
_shelx_estimated_absorpt_t_min   0.744
_shelx_estimated_absorpt_t_max   0.793
_exptl_absorpt_special_details   SADABS
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'
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
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'
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
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 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
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 .
