#------------------------------------------------------------------------------
#$Date: 2016-03-25 12:35:19 +0100 (vie 25 de mar de 2016) $
#$Revision: 179852 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/48/7014818.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_7014818
loop_
_publ_author_name
'Wu, Xingcui'
'Lv, Wei'
'Wang, Quanbo'
'Wang, Hailong'
'Zhang, Xiaomei'
'Jiang, Jianzhuang'
_publ_section_title
;
 Sandwich-type mixed (phthalocyaninato)(porphyrinato) rare earth
 double-decker complexes with decreased molecular symmetry of Cs:
 single crystal structure and self-assembled nano-structure.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              107
_journal_page_last               113
_journal_paper_doi               10.1039/c0dt01200a
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C92 H78 Eu N14'
_chemical_formula_sum            'C92 H78 Eu N14'
_chemical_formula_weight         1531.64
_chemical_name_systematic
;
?
;
_space_group_IT_number           43
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   33.355(3)
_cell_length_b                   72.867(7)
_cell_length_c                   12.9923(15)
_cell_measurement_reflns_used    2341
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      26.95
_cell_measurement_theta_min      2.981
_cell_volume                     31578(6)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0707
_diffrn_reflns_av_sigmaI/netI    0.0951
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       89
_diffrn_reflns_limit_k_min       -88
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            42388
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.12
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.850
_exptl_absorpt_correction_T_max  0.9274
_exptl_absorpt_correction_T_min  0.8975
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            dark-green
_exptl_crystal_density_diffrn    1.289
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             12656
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.860
_refine_diff_density_min         -1.867
_refine_diff_density_rms         0.178
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.02(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1114
_refine_ls_number_reflns         15128
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.1209
_refine_ls_R_factor_gt           0.0817
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1266P)²+286.4656P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2033
_refine_ls_wR_factor_ref         0.2369
_reflns_number_gt                10366
_reflns_number_total             15128
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0DT01200A.TXT
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_database_code               7014818
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'x+1/4, -y+1/4, z+1/4'
'-x+1/4, y+1/4, z+1/4'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'x+1/4, -y+3/4, z+3/4'
'-x+1/4, y+3/4, z+3/4'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'x+3/4, -y+1/4, z+3/4'
'-x+3/4, y+1/4, z+3/4'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'x+3/4, -y+3/4, z+1/4'
'-x+3/4, y+3/4, z+1/4'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.168064(16) 0.080082(7) 0.14622(6) 0.04620(16) Uani 1 1 d . . .
N1 N 0.1974(3) 0.09790(13) 0.0040(7) 0.054(2) Uani 1 1 d . . .
N2 N 0.1632(3) 0.11214(13) 0.1946(7) 0.055(2) Uani 1 1 d . . .
N3 N 0.2019(3) 0.08282(14) 0.3106(8) 0.056(3) Uani 1 1 d . . .
N4 N 0.2361(3) 0.06850(14) 0.1217(7) 0.059(3) Uani 1 1 d . . .
N5 N 0.1538(3) 0.05904(14) 0.0006(8) 0.057(2) Uani 1 1 d . . .
N6 N 0.1198(3) 0.08002(13) -0.1142(9) 0.061(3) Uani 1 1 d . . .
N7 N 0.1050(3) 0.08828(15) 0.0593(8) 0.058(2) Uani 1 1 d . . .
N8 N 0.0661(4) 0.10148(16) 0.1986(9) 0.063(3) Uani 1 1 d . . .
N9 N 0.1092(3) 0.07761(14) 0.2635(8) 0.059(3) Uani 1 1 d . . .
N10 N 0.1290(3) 0.05283(14) 0.3746(8) 0.061(3) Uani 1 1 d . . .
N11 N 0.1579(3) 0.04780(14) 0.2036(8) 0.059(2) Uani 1 1 d . . .
N12 N 0.1825(4) 0.03044(16) 0.0577(9) 0.066(3) Uani 1 1 d . . .
N13 N 0.3580(6) 0.0594(2) -0.3855(13) 0.116(5) Uani 1 1 d . . .
H13A H 0.3474 0.0643 -0.4494 0.139 Uiso 1 1 d R B .
N14 N 0.3570(5) 0.0079(2) 0.4954(12) 0.105(5) Uani 1 1 d . . .
H14A H 0.3508 -0.0043 0.4692 0.126 Uiso 1 1 d R A .
C1 C 0.2217(4) 0.09097(17) -0.0728(9) 0.057(3) Uani 1 1 d . . .
C2 C 0.2199(4) 0.10252(18) -0.1602(10) 0.063(3) Uani 1 1 d . . .
H2 H 0.2333 0.1006 -0.2221 0.076 Uiso 1 1 calc R . .
C3 C 0.1961(4) 0.11647(18) -0.1387(10) 0.061(3) Uani 1 1 d . . .
H3 H 0.1889 0.1260 -0.1825 0.073 Uiso 1 1 calc R . .
C4 C 0.1835(4) 0.11387(18) -0.0327(10) 0.057(3) Uani 1 1 d . . .
C5 C 0.1606(4) 0.12660(18) 0.0241(10) 0.057(3) Uani 1 1 d . . .
C6 C 0.1493(4) 0.14450(18) -0.0295(10) 0.062(3) Uani 1 1 d . . .
C7 C 0.1805(5) 0.1570(2) -0.0481(12) 0.075(4) Uani 1 1 d . . .
H7 H 0.2067 0.1544 -0.0284 0.089 Uiso 1 1 calc R . .
C8 C 0.1708(5) 0.1735(2) -0.0974(15) 0.084(4) Uani 1 1 d . . .
H8 H 0.1911 0.1818 -0.1124 0.101 Uiso 1 1 calc R . .
C9 C 0.1328(5) 0.1776(2) -0.1237(12) 0.079(4) Uani 1 1 d . . .
H9 H 0.1273 0.1890 -0.1526 0.094 Uiso 1 1 calc R . .
C10 C 0.1029(4) 0.16567(18) -0.1091(14) 0.075(3) Uani 1 1 d . . .
H10 H 0.0770 0.1684 -0.1307 0.090 Uiso 1 1 calc R . .
C11 C 0.1114(4) 0.14879(18) -0.0605(10) 0.066(3) Uani 1 1 d . . .
H11 H 0.0907 0.1405 -0.0493 0.079 Uiso 1 1 calc R . .
C12 C 0.1512(4) 0.12616(16) 0.1294(10) 0.060(3) Uani 1 1 d . . .
C13 C 0.1323(4) 0.14057(18) 0.1895(10) 0.064(3) Uani 1 1 d . . .
H13 H 0.1206 0.1512 0.1637 0.077 Uiso 1 1 calc R . .
C14 C 0.1346(4) 0.13592(19) 0.2848(11) 0.068(3) Uani 1 1 d . . .
H14 H 0.1244 0.1426 0.3398 0.081 Uiso 1 1 calc R . .
C15 C 0.1556(5) 0.11842(19) 0.2931(10) 0.059(3) Uani 1 1 d . . .
C16 C 0.1685(4) 0.11012(17) 0.3837(11) 0.062(3) Uani 1 1 d . . .
C17 C 0.1630(4) 0.12091(19) 0.4789(10) 0.062(3) Uani 1 1 d . . .
C18 C 0.1885(5) 0.1356(2) 0.4985(12) 0.079(4) Uani 1 1 d . . .
H18 H 0.2086 0.1383 0.4512 0.094 Uiso 1 1 calc R . .
C19 C 0.1851(5) 0.1465(2) 0.5867(12) 0.083(4) Uani 1 1 d . . .
H19 H 0.2032 0.1559 0.6004 0.099 Uiso 1 1 calc R . .
C20 C 0.1541(5) 0.1428(2) 0.6520(14) 0.081(4) Uani 1 1 d . . .
H20 H 0.1512 0.1498 0.7114 0.097 Uiso 1 1 calc R . .
C21 C 0.1293(5) 0.1300(2) 0.6337(13) 0.086(4) Uani 1 1 d . . .
H21 H 0.1080 0.1281 0.6789 0.103 Uiso 1 1 calc R . .
C22 C 0.1330(5) 0.1187(2) 0.5471(12) 0.078(4) Uani 1 1 d . . .
H22 H 0.1143 0.1094 0.5364 0.094 Uiso 1 1 calc R . .
C23 C 0.1903(4) 0.09393(15) 0.3930(12) 0.061(3) Uani 1 1 d . . .
C24 C 0.2087(5) 0.0877(2) 0.4851(11) 0.069(4) Uani 1 1 d . . .
H24 H 0.2064 0.0931 0.5497 0.083 Uiso 1 1 calc R . .
C25 C 0.2301(5) 0.0726(2) 0.4622(11) 0.070(4) Uani 1 1 d . . .
H25 H 0.2434 0.0651 0.5090 0.084 Uiso 1 1 calc R . .
C26 C 0.2289(5) 0.07011(19) 0.3520(10) 0.061(3) Uani 1 1 d . . .
C27 C 0.2514(4) 0.05779(17) 0.2968(10) 0.062(3) Uani 1 1 d . . .
C28 C 0.2781(5) 0.04513(19) 0.3545(10) 0.067(3) Uani 1 1 d . . .
C29 C 0.2639(5) 0.03062(18) 0.4126(12) 0.073(4) Uani 1 1 d . A .
H29 H 0.2365 0.0291 0.4219 0.088 Uiso 1 1 calc R . .
C30 C 0.2900(5) 0.0184(2) 0.4564(12) 0.081(4) Uani 1 1 d . . .
H30 H 0.2796 0.0085 0.4927 0.097 Uiso 1 1 calc R A .
C31 C 0.3306(5) 0.0201(2) 0.4494(13) 0.081(4) Uani 1 1 d . A .
C32 C 0.3458(5) 0.0348(2) 0.3948(16) 0.087(4) Uani 1 1 d . . .
H32 H 0.3734 0.0366 0.3899 0.104 Uiso 1 1 calc R A .
C33 C 0.3198(5) 0.0469(2) 0.3477(11) 0.075(4) Uani 1 1 d . A .
H33 H 0.3304 0.0566 0.3099 0.090 Uiso 1 1 calc R . .
C34 C 0.401(4) 0.0108(14) 0.483(8) 0.11(2) Uani 0.52(2) 1 d P A 1
H34A H 0.4075 0.0229 0.5087 0.133 Uiso 0.52(2) 1 calc PR A 1
H34B H 0.4074 0.0104 0.4105 0.133 Uiso 0.52(2) 1 calc PR A 1
C35 C 0.4249(18) -0.0034(8) 0.540(5) 0.119(16) Uani 0.52(2) 1 d P A 1
H35A H 0.4526 -0.0028 0.5173 0.143 Uiso 0.52(2) 1 calc PR A 1
H35B H 0.4148 -0.0155 0.5232 0.143 Uiso 0.52(2) 1 calc PR A 1
C36 C 0.4233(14) -0.0007(8) 0.657(4) 0.124(14) Uani 0.52(2) 1 d P A 1
H36A H 0.4350 0.0110 0.6770 0.149 Uiso 0.52(2) 1 calc PR A 1
H36B H 0.3960 -0.0013 0.6824 0.149 Uiso 0.52(2) 1 calc PR A 1
C37 C 0.4484(16) -0.0168(8) 0.699(4) 0.127(16) Uani 0.52(2) 1 d P A 1
H37A H 0.4345 -0.0281 0.6823 0.153 Uiso 0.52(2) 1 calc PR A 1
H37B H 0.4737 -0.0170 0.6622 0.153 Uiso 0.52(2) 1 calc PR A 1
C38 C 0.4570(15) -0.0166(7) 0.813(4) 0.134(16) Uani 0.52(2) 1 d P A 1
H38A H 0.4337 -0.0209 0.8507 0.161 Uiso 0.52(2) 1 calc PR A 1
H38B H 0.4630 -0.0042 0.8352 0.161 Uiso 0.52(2) 1 calc PR A 1
C39 C 0.4932(18) -0.0293(8) 0.834(5) 0.139(18) Uani 0.52(2) 1 d P A 1
H39A H 0.4936 -0.0392 0.7842 0.167 Uiso 0.52(2) 1 calc PR A 1
H39B H 0.5179 -0.0224 0.8268 0.167 Uiso 0.52(2) 1 calc PR A 1
C40 C 0.4908(18) -0.0373(8) 0.942(4) 0.139(19) Uani 0.52(2) 1 d P A 1
H40A H 0.5010 -0.0284 0.9911 0.167 Uiso 0.52(2) 1 calc PR A 1
H40B H 0.4629 -0.0396 0.9594 0.167 Uiso 0.52(2) 1 calc PR A 1
C41 C 0.5143(19) -0.0551(8) 0.954(5) 0.16(2) Uani 0.52(2) 1 d P A 1
H41A H 0.5298 -0.0572 0.8929 0.235 Uiso 0.52(2) 1 calc PR A 1
H41B H 0.4960 -0.0651 0.9642 0.235 Uiso 0.52(2) 1 calc PR A 1
H41C H 0.5319 -0.0542 1.0122 0.235 Uiso 0.52(2) 1 calc PR A 1
C34' C 0.398(4) 0.0052(14) 0.451(8) 0.11(2) Uani 0.48(2) 1 d P A 2
H34C H 0.4142 0.0157 0.4679 0.127 Uiso 0.48(2) 1 calc PR A 2
H34D H 0.3953 0.0046 0.3764 0.127 Uiso 0.48(2) 1 calc PR A 2
C35' C 0.4180(18) -0.0122(8) 0.489(5) 0.117(17) Uani 0.48(2) 1 d P A 2
H35C H 0.4432 -0.0137 0.4524 0.141 Uiso 0.48(2) 1 calc PR A 2
H35D H 0.4012 -0.0227 0.4730 0.141 Uiso 0.48(2) 1 calc PR A 2
C36' C 0.4264(18) -0.0119(9) 0.605(6) 0.121(17) Uani 0.48(2) 1 d P A 2
H36C H 0.4015 -0.0134 0.6423 0.145 Uiso 0.48(2) 1 calc PR A 2
H36D H 0.4382 -0.0003 0.6239 0.145 Uiso 0.48(2) 1 calc PR A 2
C37' C 0.4555(16) -0.0278(8) 0.632(5) 0.128(17) Uani 0.48(2) 1 d P A 2
H37C H 0.4498 -0.0382 0.5883 0.154 Uiso 0.48(2) 1 calc PR A 2
H37D H 0.4827 -0.0239 0.6187 0.154 Uiso 0.48(2) 1 calc PR A 2
C38' C 0.4522(17) -0.0337(8) 0.744(4) 0.133(18) Uani 0.48(2) 1 d P A 2
H38C H 0.4256 -0.0387 0.7554 0.160 Uiso 0.48(2) 1 calc PR A 2
H38D H 0.4552 -0.0230 0.7873 0.160 Uiso 0.48(2) 1 calc PR A 2
C39' C 0.4830(16) -0.0480(8) 0.777(5) 0.136(18) Uani 0.48(2) 1 d P A 2
H39C H 0.4845 -0.0575 0.7243 0.163 Uiso 0.48(2) 1 calc PR A 2
H39D H 0.4738 -0.0538 0.8399 0.163 Uiso 0.48(2) 1 calc PR A 2
C40' C 0.5250(18) -0.0402(8) 0.795(5) 0.138(18) Uani 0.48(2) 1 d P A 2
H40C H 0.5406 -0.0416 0.7320 0.166 Uiso 0.48(2) 1 calc PR A 2
H40D H 0.5230 -0.0272 0.8096 0.166 Uiso 0.48(2) 1 calc PR A 2
C41' C 0.5468(19) -0.0498(8) 0.883(6) 0.16(2) Uani 0.48(2) 1 d P A 2
H41D H 0.5472 -0.0419 0.9421 0.243 Uiso 0.48(2) 1 calc PR A 2
H41E H 0.5738 -0.0525 0.8627 0.243 Uiso 0.48(2) 1 calc PR A 2
H41F H 0.5331 -0.0610 0.8999 0.243 Uiso 0.48(2) 1 calc PR A 2
C42 C 0.2545(4) 0.05679(18) 0.1878(10) 0.061(3) Uani 1 1 d . . .
C43 C 0.2796(4) 0.04463(17) 0.1339(11) 0.065(3) Uani 1 1 d . . .
H43 H 0.2937 0.0348 0.1621 0.078 Uiso 1 1 calc R . .
C44 C 0.2795(4) 0.04966(18) 0.0339(10) 0.064(3) Uani 1 1 d . . .
H44 H 0.2942 0.0443 -0.0192 0.077 Uiso 1 1 calc R . .
C45 C 0.2521(4) 0.06496(18) 0.0257(10) 0.059(3) Uani 1 1 d . . .
C46 C 0.2470(4) 0.07557(18) -0.0633(9) 0.061(3) Uani 1 1 d . . .
C47 C 0.2748(5) 0.07156(19) -0.1511(10) 0.066(3) Uani 1 1 d . . .
C48 C 0.3140(5) 0.0782(2) -0.1474(13) 0.083(4) Uani 1 1 d . B .
H48 H 0.3221 0.0853 -0.0917 0.100 Uiso 1 1 calc R . .
C49 C 0.3411(6) 0.0744(3) -0.2247(16) 0.099(5) Uani 1 1 d . . .
H49 H 0.3669 0.0792 -0.2210 0.119 Uiso 1 1 calc R B .
C50 C 0.3305(6) 0.0639(3) -0.3056(14) 0.089(5) Uani 1 1 d . B .
C51 C 0.2939(5) 0.0571(2) -0.3091(12) 0.079(4) Uani 1 1 d . . .
H51 H 0.2871 0.0492 -0.3628 0.095 Uiso 1 1 calc R B .
C52 C 0.2651(5) 0.0613(2) -0.2340(11) 0.069(4) Uani 1 1 d . B .
H52 H 0.2390 0.0570 -0.2415 0.083 Uiso 1 1 calc R . .
C53 C 0.4000(11) 0.0657(5) -0.376(3) 0.109(10) Uani 0.641(18) 1 d P B 1
H53A H 0.4117 0.0604 -0.3146 0.131 Uiso 0.641(18) 1 calc PR B 1
H53B H 0.4003 0.0789 -0.3687 0.131 Uiso 0.641(18) 1 calc PR B 1
C54 C 0.426(3) 0.0603(10) -0.470(8) 0.13(2) Uani 0.641(18) 1 d P B 1
H54A H 0.4150 0.0660 -0.5313 0.151 Uiso 0.641(18) 1 calc PR B 1
H54B H 0.4252 0.0471 -0.4787 0.151 Uiso 0.641(18) 1 calc PR B 1
C55 C 0.4692(17) 0.0668(7) -0.453(4) 0.130(15) Uani 0.641(18) 1 d P B 1
H55A H 0.4686 0.0797 -0.4339 0.156 Uiso 0.641(18) 1 calc PR B 1
H55B H 0.4800 0.0601 -0.3941 0.156 Uiso 0.641(18) 1 calc PR B 1
C56 C 0.498(2) 0.0645(9) -0.542(6) 0.137(19) Uani 0.641(18) 1 d P B 1
H56A H 0.4870 0.0711 -0.6001 0.165 Uiso 0.641(18) 1 calc PR B 1
H56B H 0.5230 0.0705 -0.5232 0.165 Uiso 0.641(18) 1 calc PR B 1
C57 C 0.5077(14) 0.0454(7) -0.577(3) 0.137(14) Uani 0.641(18) 1 d P B 1
H57A H 0.4828 0.0388 -0.5895 0.164 Uiso 0.641(18) 1 calc PR B 1
H57B H 0.5217 0.0390 -0.5217 0.164 Uiso 0.641(18) 1 calc PR B 1
C58 C 0.5336(13) 0.0447(6) -0.675(3) 0.142(14) Uani 0.641(18) 1 d P B 1
H58A H 0.5615 0.0468 -0.6567 0.171 Uiso 0.641(18) 1 calc PR B 1
H58B H 0.5253 0.0543 -0.7215 0.171 Uiso 0.641(18) 1 calc PR B 1
C59 C 0.5294(14) 0.0259(6) -0.728(4) 0.147(15) Uani 0.641(18) 1 d P B 1
H59A H 0.5296 0.0163 -0.6758 0.176 Uiso 0.641(18) 1 calc PR B 1
H59B H 0.5039 0.0254 -0.7634 0.176 Uiso 0.641(18) 1 calc PR B 1
C60 C 0.5635(17) 0.0225(7) -0.804(4) 0.18(2) Uani 0.641(18) 1 d P B 1
H60A H 0.5593 0.0299 -0.8647 0.270 Uiso 0.641(18) 1 calc PR B 1
H60B H 0.5639 0.0098 -0.8234 0.270 Uiso 0.641(18) 1 calc PR B 1
H60C H 0.5886 0.0258 -0.7733 0.270 Uiso 0.641(18) 1 calc PR B 1
C53' C 0.3940(16) 0.0487(9) -0.359(6) 0.114(17) Uani 0.359(18) 1 d P B 2
H53C H 0.3934 0.0373 -0.3970 0.136 Uiso 0.359(18) 1 calc PR B 2
H53D H 0.3925 0.0456 -0.2860 0.136 Uiso 0.359(18) 1 calc PR B 2
C54' C 0.434(2) 0.0580(10) -0.379(6) 0.12(2) Uani 0.359(18) 1 d P B 2
H54C H 0.4549 0.0488 -0.3794 0.150 Uiso 0.359(18) 1 calc PR B 2
H54D H 0.4396 0.0664 -0.3224 0.150 Uiso 0.359(18) 1 calc PR B 2
C55' C 0.435(5) 0.0687(18) -0.481(13) 0.13(4) Uani 0.359(18) 1 d P B 2
H55C H 0.4193 0.0621 -0.5320 0.152 Uiso 0.359(18) 1 calc PR B 2
H55D H 0.4226 0.0807 -0.4709 0.152 Uiso 0.359(18) 1 calc PR B 2
C56' C 0.478(3) 0.0710(18) -0.519(10) 0.13(3) Uani 0.359(18) 1 d P B 2
H56C H 0.4836 0.0841 -0.5225 0.156 Uiso 0.359(18) 1 calc PR B 2
H56D H 0.4957 0.0657 -0.4680 0.156 Uiso 0.359(18) 1 calc PR B 2
C57' C 0.487(3) 0.0625(11) -0.623(7) 0.13(3) Uani 0.359(18) 1 d P B 2
H57C H 0.4720 0.0692 -0.6748 0.159 Uiso 0.359(18) 1 calc PR B 2
H57D H 0.5151 0.0642 -0.6371 0.159 Uiso 0.359(18) 1 calc PR B 2
C58' C 0.477(2) 0.0422(11) -0.635(6) 0.13(2) Uani 0.359(18) 1 d P B 2
H58C H 0.4502 0.0399 -0.6125 0.161 Uiso 0.359(18) 1 calc PR B 2
H58D H 0.4953 0.0351 -0.5913 0.161 Uiso 0.359(18) 1 calc PR B 2
C59' C 0.482(2) 0.0357(11) -0.747(6) 0.14(2) Uani 0.359(18) 1 d P B 2
H59C H 0.4807 0.0462 -0.7928 0.167 Uiso 0.359(18) 1 calc PR B 2
H59D H 0.5081 0.0300 -0.7557 0.167 Uiso 0.359(18) 1 calc PR B 2
C60' C 0.449(2) 0.0220(11) -0.774(6) 0.16(3) Uani 0.359(18) 1 d P B 2
H60D H 0.4584 0.0097 -0.7628 0.233 Uiso 0.359(18) 1 calc PR B 2
H60E H 0.4417 0.0234 -0.8455 0.233 Uiso 0.359(18) 1 calc PR B 2
H60F H 0.4259 0.0242 -0.7320 0.233 Uiso 0.359(18) 1 calc PR B 2
C61 C 0.1724(4) 0.0425(2) -0.0126(11) 0.060(4) Uani 1 1 d . . .
C62 C 0.1754(4) 0.03859(18) -0.1245(10) 0.063(3) Uani 1 1 d . . .
C63 C 0.1914(5) 0.0246(2) -0.1797(11) 0.069(4) Uani 1 1 d . . .
H63 H 0.2028 0.0145 -0.1471 0.083 Uiso 1 1 calc R . .
C64 C 0.1903(5) 0.0258(2) -0.2865(12) 0.074(4) Uani 1 1 d . . .
H64 H 0.2018 0.0165 -0.3258 0.089 Uiso 1 1 calc R . .
C65 C 0.1725(5) 0.04053(19) -0.3353(12) 0.076(4) Uani 1 1 d . . .
H65 H 0.1721 0.0410 -0.4068 0.091 Uiso 1 1 calc R . .
C66 C 0.1557(4) 0.0543(2) -0.2802(11) 0.069(3) Uani 1 1 d . . .
H66 H 0.1430 0.0641 -0.3128 0.082 Uiso 1 1 calc R . .
C67 C 0.1582(4) 0.05347(18) -0.1754(10) 0.061(3) Uani 1 1 d . . .
C68 C 0.1438(4) 0.06575(16) -0.0934(11) 0.061(3) Uani 1 1 d . . .
C69 C 0.1013(4) 0.08987(18) -0.0442(10) 0.060(3) Uani 1 1 d . . .
C70 C 0.0700(4) 0.10312(18) -0.0735(10) 0.062(3) Uani 1 1 d . . .
C71 C 0.0564(4) 0.10954(19) -0.1654(11) 0.068(4) Uani 1 1 d . . .
H71 H 0.0670 0.1053 -0.2272 0.082 Uiso 1 1 calc R . .
C72 C 0.0266(5) 0.1223(2) -0.1639(12) 0.074(4) Uani 1 1 d . . .
H72 H 0.0165 0.1266 -0.2261 0.089 Uiso 1 1 calc R . .
C73 C 0.0111(5) 0.1289(2) -0.0751(11) 0.076(4) Uani 1 1 d . . .
H73 H -0.0094 0.1376 -0.0781 0.091 Uiso 1 1 calc R . .
C74 C 0.0251(4) 0.12322(19) 0.0207(12) 0.069(4) Uani 1 1 d . . .
H74 H 0.0157 0.1281 0.0822 0.083 Uiso 1 1 calc R . .
C75 C 0.0547(4) 0.10931(18) 0.0170(11) 0.064(3) Uani 1 1 d . . .
C76 C 0.0759(4) 0.10002(19) 0.0994(11) 0.061(3) Uani 1 1 d . . .
C77 C 0.0813(4) 0.09058(18) 0.2727(10) 0.062(3) Uani 1 1 d . . .
C78 C 0.0647(4) 0.09125(19) 0.3788(11) 0.066(3) Uani 1 1 d . . .
C79 C 0.0370(4) 0.1023(2) 0.4271(10) 0.072(4) Uani 1 1 d . . .
H79 H 0.0252 0.1123 0.3944 0.087 Uiso 1 1 calc R . .
C80 C 0.0279(5) 0.0976(2) 0.5267(12) 0.079(4) Uani 1 1 d . . .
H80 H 0.0089 0.1047 0.5610 0.095 Uiso 1 1 calc R . .
C81 C 0.0442(5) 0.0835(2) 0.5783(12) 0.078(4) Uani 1 1 d . . .
H81 H 0.0367 0.0811 0.6459 0.094 Uiso 1 1 calc R . .
C82 C 0.0727(4) 0.0725(2) 0.5299(11) 0.070(4) Uani 1 1 d . . .
H82 H 0.0846 0.0627 0.5643 0.084 Uiso 1 1 calc R . .
C83 C 0.0828(4) 0.07660(19) 0.4280(10) 0.065(3) Uani 1 1 d . . .
C84 C 0.1107(4) 0.06822(19) 0.3549(10) 0.062(3) Uani 1 1 d . . .
C85 C 0.1495(5) 0.04354(18) 0.3055(10) 0.062(3) Uani 1 1 d . . .
C86 C 0.1636(4) 0.02474(18) 0.3247(11) 0.065(3) Uani 1 1 d . . .
C87 C 0.1613(4) 0.01367(18) 0.4129(11) 0.073(4) Uani 1 1 d . . .
H87 H 0.1488 0.0176 0.4730 0.088 Uiso 1 1 calc R . .
C88 C 0.1785(5) -0.0030(2) 0.4044(14) 0.083(4) Uani 1 1 d . . .
H88 H 0.1777 -0.0107 0.4615 0.100 Uiso 1 1 calc R . .
C89 C 0.1974(5) -0.0096(2) 0.3170(12) 0.083(4) Uani 1 1 d . . .
H89 H 0.2094 -0.0211 0.3169 0.099 Uiso 1 1 calc R . .
C90 C 0.1981(5) 0.00138(18) 0.2290(11) 0.073(4) Uani 1 1 d . . .
H90 H 0.2099 -0.0027 0.1684 0.087 Uiso 1 1 calc R . .
C91 C 0.1806(5) 0.01848(18) 0.2353(11) 0.066(3) Uani 1 1 d . . .
C92 C 0.1745(4) 0.03326(15) 0.1604(12) 0.059(3) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 '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
_geom_angle_publ_flag
N2 Eu1 N3 73.9(3) . . ?
N2 Eu1 N4 115.4(3) . . ?
N3 Eu1 N4 73.2(3) . . ?
N2 Eu1 N1 73.3(3) . . ?
N3 Eu1 N1 115.6(3) . . ?
N4 Eu1 N1 73.4(3) . . ?
N2 Eu1 N7 80.1(3) . . ?
N3 Eu1 N7 141.5(3) . . ?
N4 Eu1 N7 144.9(3) . . ?
N1 Eu1 N7 82.4(3) . . ?
N2 Eu1 N5 141.3(3) . . ?
N3 Eu1 N5 144.3(3) . . ?
N4 Eu1 N5 82.2(3) . . ?
N1 Eu1 N5 80.2(3) . . ?
N7 Eu1 N5 68.7(3) . . ?
N2 Eu1 N11 145.4(3) . . ?
N3 Eu1 N11 83.0(3) . . ?
N4 Eu1 N11 80.7(3) . . ?
N1 Eu1 N11 141.0(3) . . ?
N7 Eu1 N11 104.5(3) . . ?
N5 Eu1 N11 67.6(3) . . ?
N2 Eu1 N9 81.9(3) . . ?
N3 Eu1 N9 80.5(3) . . ?
N4 Eu1 N9 141.9(3) . . ?
N1 Eu1 N9 144.2(3) . . ?
N7 Eu1 N9 67.9(3) . . ?
N5 Eu1 N9 105.7(3) . . ?
N11 Eu1 N9 69.0(3) . . ?
C4 N1 C1 105.3(10) . . ?
C4 N1 Eu1 125.9(8) . . ?
C1 N1 Eu1 125.7(7) . . ?
C15 N2 C12 105.6(10) . . ?
C15 N2 Eu1 124.8(8) . . ?
C12 N2 Eu1 124.8(8) . . ?
C23 N3 C26 105.5(10) . . ?
C23 N3 Eu1 126.3(8) . . ?
C26 N3 Eu1 125.8(8) . . ?
C42 N4 C45 106.2(10) . . ?
C42 N4 Eu1 123.8(8) . . ?
C45 N4 Eu1 122.8(8) . . ?
C68 N5 C61 108.4(11) . . ?
C68 N5 Eu1 120.7(8) . . ?
C61 N5 Eu1 123.6(9) . . ?
C69 N6 C68 124.4(12) . . ?
C69 N7 C76 104.8(11) . . ?
C69 N7 Eu1 123.5(9) . . ?
C76 N7 Eu1 124.9(8) . . ?
C76 N8 C77 123.5(12) . . ?
C77 N9 C84 107.6(11) . . ?
C77 N9 Eu1 123.7(9) . . ?
C84 N9 Eu1 122.4(9) . . ?
C84 N10 C85 123.5(11) . . ?
C92 N11 C85 108.1(11) . . ?
C92 N11 Eu1 125.0(9) . . ?
C85 N11 Eu1 121.6(8) . . ?
C61 N12 C92 121.7(11) . . ?
C50 N13 C53' 118(3) . . ?
C50 N13 C53 119(2) . . ?
C53' N13 C53 51(3) . . ?
C50 N13 H13A 107.7 . . ?
C53' N13 H13A 134.0 . . ?
C53 N13 H13A 107.7 . . ?
C31 N14 C34 119(5) . . ?
C31 N14 C34' 120(5) . . ?
C34 N14 C34' 23(4) . . ?
C31 N14 H14A 107.6 . . ?
C34 N14 H14A 107.6 . . ?
C34' N14 H14A 86.2 . . ?
N1 C1 C46 125.4(11) . . ?
N1 C1 C2 109.8(11) . . ?
C46 C1 C2 124.6(11) . . ?
C3 C2 C1 108.3(12) . . ?
C3 C2 H2 125.9 . . ?
C1 C2 H2 125.9 . . ?
C2 C3 C4 105.9(12) . . ?
C2 C3 H3 127.0 . . ?
C4 C3 H3 127.0 . . ?
N1 C4 C5 124.9(12) . . ?
N1 C4 C3 110.5(12) . . ?
C5 C4 C3 124.6(13) . . ?
C12 C5 C4 128.0(12) . . ?
C12 C5 C6 114.2(11) . . ?
C4 C5 C6 117.1(11) . . ?
C11 C6 C7 119.2(13) . . ?
C11 C6 C5 123.9(12) . . ?
C7 C6 C5 116.9(13) . . ?
C8 C7 C6 117.7(14) . . ?
C8 C7 H7 121.1 . . ?
C6 C7 H7 121.1 . . ?
C9 C8 C7 121.7(15) . . ?
C9 C8 H8 119.2 . . ?
C7 C8 H8 119.2 . . ?
C10 C9 C8 121.5(15) . . ?
C10 C9 H9 119.3 . . ?
C8 C9 H9 119.3 . . ?
C9 C10 C11 118.8(15) . . ?
C9 C10 H10 120.6 . . ?
C11 C10 H10 120.6 . . ?
C6 C11 C10 121.1(14) . . ?
C6 C11 H11 119.4 . . ?
C10 C11 H11 119.4 . . ?
N2 C12 C5 123.2(11) . . ?
N2 C12 C13 109.3(11) . . ?
C5 C12 C13 127.1(12) . . ?
C14 C13 C12 107.5(12) . . ?
C14 C13 H13 126.2 . . ?
C12 C13 H13 126.2 . . ?
C13 C14 C15 109.2(13) . . ?
C13 C14 H14 125.4 . . ?
C15 C14 H14 125.4 . . ?
N2 C15 C16 125.7(12) . . ?
N2 C15 C14 108.0(11) . . ?
C16 C15 C14 126.2(12) . . ?
C23 C16 C15 127.0(13) . . ?
C23 C16 C17 116.4(13) . . ?
C15 C16 C17 116.1(11) . . ?
C22 C17 C18 115.3(14) . . ?
C22 C17 C16 125.4(14) . . ?
C18 C17 C16 119.2(13) . . ?
C17 C18 C19 122.4(16) . . ?
C17 C18 H18 118.8 . . ?
C19 C18 H18 118.8 . . ?
C20 C19 C18 117.3(17) . . ?
C20 C19 H19 121.4 . . ?
C18 C19 H19 121.4 . . ?
C21 C20 C19 121.7(19) . . ?
C21 C20 H20 119.1 . . ?
C19 C20 H20 119.1 . . ?
C20 C21 C22 121.6(18) . . ?
C20 C21 H21 119.2 . . ?
C22 C21 H21 119.2 . . ?
C17 C22 C21 121.5(16) . . ?
C17 C22 H22 119.2 . . ?
C21 C22 H22 119.2 . . ?
C16 C23 N3 124.8(13) . . ?
C16 C23 C24 124.7(13) . . ?
N3 C23 C24 109.9(10) . . ?
C25 C24 C23 107.7(13) . . ?
C25 C24 H24 126.1 . . ?
C23 C24 H24 126.1 . . ?
C24 C25 C26 107.9(14) . . ?
C24 C25 H25 126.0 . . ?
C26 C25 H25 126.0 . . ?
C27 C26 N3 125.7(12) . . ?
C27 C26 C25 125.8(14) . . ?
N3 C26 C25 108.5(12) . . ?
C26 C27 C42 126.4(13) . . ?
C26 C27 C28 118.0(12) . . ?
C42 C27 C28 115.4(11) . . ?
C29 C28 C33 116.4(14) . . ?
C29 C28 C27 123.1(14) . . ?
C33 C28 C27 120.4(13) . . ?
C30 C29 C28 120.4(15) . . ?
C30 C29 H29 119.8 . . ?
C28 C29 H29 119.8 . . ?
C31 C30 C29 123.0(16) . . ?
C31 C30 H30 118.5 . . ?
C29 C30 H30 118.5 . . ?
C30 C31 C32 118.0(16) . . ?
C30 C31 N14 122.7(16) . . ?
C32 C31 N14 119.2(17) . . ?
C33 C32 C31 119.5(16) . . ?
C33 C32 H32 120.3 . . ?
C31 C32 H32 120.3 . . ?
C32 C33 C28 122.6(15) . . ?
C32 C33 H33 118.7 . . ?
C28 C33 H33 118.7 . . ?
N14 C34 C35 112(9) . . ?
N14 C34 H34A 109.2 . . ?
C35 C34 H34A 109.2 . . ?
N14 C34 H34B 109.2 . . ?
C35 C34 H34B 109.2 . . ?
H34A C34 H34B 107.9 . . ?
C34 C35 C36 112(5) . . ?
C34 C35 H35A 109.2 . . ?
C36 C35 H35A 109.2 . . ?
C34 C35 H35B 109.2 . . ?
C36 C35 H35B 109.2 . . ?
H35A C35 H35B 107.9 . . ?
C37 C36 C35 103(5) . . ?
C37 C36 H36A 111.1 . . ?
C35 C36 H36A 111.1 . . ?
C37 C36 H36B 111.1 . . ?
C35 C36 H36B 111.1 . . ?
H36A C36 H36B 109.1 . . ?
C38 C37 C36 116(5) . . ?
C38 C37 H37A 108.3 . . ?
C36 C37 H37A 108.3 . . ?
C38 C37 H37B 108.3 . . ?
C36 C37 H37B 108.3 . . ?
H37A C37 H37B 107.4 . . ?
C37 C38 C39 109(4) . . ?
C37 C38 H38A 110.0 . . ?
C39 C38 H38A 110.0 . . ?
C37 C38 H38B 110.0 . . ?
C39 C38 H38B 110.0 . . ?
H38A C38 H38B 108.4 . . ?
C40 C39 C38 111(5) . . ?
C40 C39 H39A 109.5 . . ?
C38 C39 H39A 109.5 . . ?
C40 C39 H39B 109.5 . . ?
C38 C39 H39B 109.5 . . ?
H39A C39 H39B 108.1 . . ?
C41 C40 C39 113(5) . . ?
C41 C40 H40A 109.0 . . ?
C39 C40 H40A 109.0 . . ?
C41 C40 H40B 109.0 . . ?
C39 C40 H40B 109.0 . . ?
H40A C40 H40B 107.8 . . ?
N14 C34' C35' 113(9) . . ?
N14 C34' H34C 108.9 . . ?
C35' C34' H34C 108.9 . . ?
N14 C34' H34D 108.9 . . ?
C35' C34' H34D 108.9 . . ?
H34C C34' H34D 107.8 . . ?
C34' C35' C36' 113(6) . . ?
C34' C35' H35C 109.0 . . ?
C36' C35' H35C 109.0 . . ?
C34' C35' H35D 109.0 . . ?
C36' C35' H35D 109.0 . . ?
H35C C35' H35D 107.8 . . ?
C35' C36' C37' 109(5) . . ?
C35' C36' H36C 109.8 . . ?
C37' C36' H36C 109.8 . . ?
C35' C36' H36D 109.8 . . ?
C37' C36' H36D 109.8 . . ?
H36C C36' H36D 108.2 . . ?
C38' C37' C36' 113(5) . . ?
C38' C37' H37C 109.0 . . ?
C36' C37' H37C 109.0 . . ?
C38' C37' H37D 109.0 . . ?
C36' C37' H37D 109.0 . . ?
H37C C37' H37D 107.8 . . ?
C37' C38' C39' 115(5) . . ?
C37' C38' H38C 108.6 . . ?
C39' C38' H38C 108.6 . . ?
C37' C38' H38D 108.6 . . ?
C39' C38' H38D 108.6 . . ?
H38C C38' H38D 107.6 . . ?
C38' C39' C40' 114(5) . . ?
C38' C39' H39C 108.8 . . ?
C40' C39' H39C 108.8 . . ?
C38' C39' H39D 108.8 . . ?
C40' C39' H39D 108.8 . . ?
H39C C39' H39D 107.7 . . ?
C41' C40' C39' 112(5) . . ?
C41' C40' H40C 109.1 . . ?
C39' C40' H40C 109.1 . . ?
C41' C40' H40D 109.1 . . ?
C39' C40' H40D 109.1 . . ?
H40C C40' H40D 107.9 . . ?
C40' C41' H41D 109.5 . . ?
C40' C41' H41E 109.5 . . ?
H41D C41' H41E 109.5 . . ?
C40' C41' H41F 109.5 . . ?
H41D C41' H41F 109.5 . . ?
H41E C41' H41F 109.5 . . ?
N4 C42 C43 110.5(11) . . ?
N4 C42 C27 124.4(12) . . ?
C43 C42 C27 124.9(13) . . ?
C44 C43 C42 107.9(12) . . ?
C44 C43 H43 126.0 . . ?
C42 C43 H43 126.0 . . ?
C43 C44 C45 106.3(12) . . ?
C43 C44 H44 126.8 . . ?
C45 C44 H44 126.8 . . ?
N4 C45 C46 126.5(12) . . ?
N4 C45 C44 108.8(11) . . ?
C46 C45 C44 124.2(12) . . ?
C45 C46 C1 125.7(12) . . ?
C45 C46 C47 116.5(11) . . ?
C1 C46 C47 117.4(11) . . ?
C52 C47 C48 116.4(14) . . ?
C52 C47 C46 124.4(14) . . ?
C48 C47 C46 119.1(13) . . ?
C49 C48 C47 121.3(17) . . ?
C49 C48 H48 119.3 . . ?
C47 C48 H48 119.3 . . ?
C50 C49 C48 120.6(19) . . ?
C50 C49 H49 119.7 . . ?
C48 C49 H49 119.7 . . ?
C51 C50 C49 119.1(19) . . ?
C51 C50 N13 118.8(18) . . ?
C49 C50 N13 122.0(18) . . ?
C50 C51 C52 121.7(17) . . ?
C50 C51 H51 119.1 . . ?
C52 C51 H51 119.1 . . ?
C47 C52 C51 120.7(15) . . ?
C47 C52 H52 119.7 . . ?
C51 C52 H52 119.7 . . ?
N13 C53 C54 113(4) . . ?
N13 C53 H53A 109.0 . . ?
C54 C53 H53A 109.0 . . ?
N13 C53 H53B 109.0 . . ?
C54 C53 H53B 109.0 . . ?
H53A C53 H53B 107.8 . . ?
C53 C54 C55 110(7) . . ?
C53 C54 H54A 109.8 . . ?
C55 C54 H54A 109.8 . . ?
C53 C54 H54B 109.8 . . ?
C55 C54 H54B 109.8 . . ?
H54A C54 H54B 108.2 . . ?
C56 C55 C54 117(6) . . ?
C56 C55 H55A 108.0 . . ?
C54 C55 H55A 108.0 . . ?
C56 C55 H55B 108.0 . . ?
C54 C55 H55B 108.0 . . ?
H55A C55 H55B 107.3 . . ?
C57 C56 C55 118(5) . . ?
C57 C56 H56A 107.8 . . ?
C55 C56 H56A 107.8 . . ?
C57 C56 H56B 107.8 . . ?
C55 C56 H56B 107.8 . . ?
H56A C56 H56B 107.2 . . ?
C56 C57 C58 113(5) . . ?
C56 C57 H57A 108.9 . . ?
C58 C57 H57A 108.9 . . ?
C56 C57 H57B 108.9 . . ?
C58 C57 H57B 108.9 . . ?
H57A C57 H57B 107.7 . . ?
C57 C58 C59 110(4) . . ?
C57 C58 H58A 109.6 . . ?
C59 C58 H58A 109.6 . . ?
C57 C58 H58B 109.6 . . ?
C59 C58 H58B 109.6 . . ?
H58A C58 H58B 108.1 . . ?
C60 C59 C58 111(4) . . ?
C60 C59 H59A 109.3 . . ?
C58 C59 H59A 109.3 . . ?
C60 C59 H59B 109.3 . . ?
C58 C59 H59B 109.3 . . ?
H59A C59 H59B 108.0 . . ?
N13 C53' C54' 116(5) . . ?
N13 C53' H53C 108.3 . . ?
C54' C53' H53C 108.3 . . ?
N13 C53' H53D 108.3 . . ?
C54' C53' H53D 108.3 . . ?
H53C C53' H53D 107.4 . . ?
C53' C54' C55' 113(8) . . ?
C53' C54' H54C 109.0 . . ?
C55' C54' H54C 109.0 . . ?
C53' C54' H54D 109.0 . . ?
C55' C54' H54D 109.0 . . ?
H54C C54' H54D 107.8 . . ?
C56' C55' C54' 111(10) . . ?
C56' C55' H55C 109.5 . . ?
C54' C55' H55C 109.5 . . ?
C56' C55' H55D 109.5 . . ?
C54' C55' H55D 109.5 . . ?
H55C C55' H55D 108.1 . . ?
C57' C56' C55' 115(10) . . ?
C57' C56' H56C 108.4 . . ?
C55' C56' H56C 108.4 . . ?
C57' C56' H56D 108.4 . . ?
C55' C56' H56D 108.4 . . ?
H56C C56' H56D 107.5 . . ?
C58' C57' C56' 117(8) . . ?
C58' C57' H57C 108.1 . . ?
C56' C57' H57C 108.1 . . ?
C58' C57' H57D 108.1 . . ?
C56' C57' H57D 108.1 . . ?
H57C C57' H57D 107.3 . . ?
C57' C58' C59' 112(7) . . ?
C57' C58' H58C 109.2 . . ?
C59' C58' H58C 109.2 . . ?
C57' C58' H58D 109.2 . . ?
C59' C58' H58D 109.2 . . ?
H58C C58' H58D 107.9 . . ?
C60' C59' C58' 110(7) . . ?
C60' C59' H59C 109.6 . . ?
C58' C59' H59C 109.6 . . ?
C60' C59' H59D 109.6 . . ?
C58' C59' H59D 109.6 . . ?
H59C C59' H59D 108.1 . . ?
C59' C60' H60D 109.5 . . ?
C59' C60' H60E 109.5 . . ?
H60D C60' H60E 109.5 . . ?
C59' C60' H60F 109.5 . . ?
H60D C60' H60F 109.5 . . ?
H60E C60' H60F 109.5 . . ?
N12 C61 N5 128.4(13) . . ?
N12 C61 C62 122.3(13) . . ?
N5 C61 C62 108.9(12) . . ?
C63 C62 C67 119.8(13) . . ?
C63 C62 C61 133.6(13) . . ?
C67 C62 C61 106.6(12) . . ?
C62 C63 C64 118.0(14) . . ?
C62 C63 H63 121.0 . . ?
C64 C63 H63 121.0 . . ?
C65 C64 C63 121.3(15) . . ?
C65 C64 H64 119.4 . . ?
C63 C64 H64 119.4 . . ?
C66 C65 C64 120.8(15) . . ?
C66 C65 H65 119.6 . . ?
C64 C65 H65 119.6 . . ?
C65 C66 C67 117.9(13) . . ?
C65 C66 H66 121.1 . . ?
C67 C66 H66 121.1 . . ?
C66 C67 C62 122.2(13) . . ?
C66 C67 C68 132.5(13) . . ?
C62 C67 C68 105.3(12) . . ?
N6 C68 N5 127.4(12) . . ?
N6 C68 C67 121.3(13) . . ?
N5 C68 C67 110.7(11) . . ?
N6 C69 N7 126.8(12) . . ?
N6 C69 C70 120.8(12) . . ?
N7 C69 C70 112.1(11) . . ?
C75 C70 C71 121.3(13) . . ?
C75 C70 C69 105.1(11) . . ?
C71 C70 C69 133.6(11) . . ?
C70 C71 C72 117.8(14) . . ?
C70 C71 H71 121.1 . . ?
C72 C71 H71 121.1 . . ?
C73 C72 C71 122.3(16) . . ?
C73 C72 H72 118.8 . . ?
C71 C72 H72 118.8 . . ?
C72 C73 C74 121.8(14) . . ?
C72 C73 H73 119.1 . . ?
C74 C73 H73 119.1 . . ?
C73 C74 C75 114.7(13) . . ?
C73 C74 H74 122.7 . . ?
C75 C74 H74 122.7 . . ?
C70 C75 C74 121.9(13) . . ?
C70 C75 C76 107.6(12) . . ?
C74 C75 C76 130.4(13) . . ?
N8 C76 N7 125.5(13) . . ?
N8 C76 C75 123.9(13) . . ?
N7 C76 C75 110.4(11) . . ?
N9 C77 N8 128.1(12) . . ?
N9 C77 C78 111.5(11) . . ?
N8 C77 C78 120.3(12) . . ?
C79 C78 C83 122.2(13) . . ?
C79 C78 C77 133.8(13) . . ?
C83 C78 C77 103.9(11) . . ?
C80 C79 C78 115.6(14) . . ?
C80 C79 H79 122.2 . . ?
C78 C79 H79 122.2 . . ?
C81 C80 C79 124.9(15) . . ?
C81 C80 H80 117.6 . . ?
C79 C80 H80 117.6 . . ?
C80 C81 C82 119.5(15) . . ?
C80 C81 H81 120.2 . . ?
C82 C81 H81 120.2 . . ?
C81 C82 C83 117.9(14) . . ?
C81 C82 H82 121.1 . . ?
C83 C82 H82 121.1 . . ?
C78 C83 C82 119.9(13) . . ?
C78 C83 C84 107.4(11) . . ?
C82 C83 C84 132.7(13) . . ?
N10 C84 N9 128.1(12) . . ?
N10 C84 C83 122.0(12) . . ?
N9 C84 C83 109.3(11) . . ?
N10 C85 N11 129.8(12) . . ?
N10 C85 C86 122.0(12) . . ?
N11 C85 C86 107.8(11) . . ?
C91 C86 C87 121.5(12) . . ?
C91 C86 C85 107.4(12) . . ?
C87 C86 C85 131.1(12) . . ?
C88 C87 C86 115.3(14) . . ?
C88 C87 H87 122.3 . . ?
C86 C87 H87 122.3 . . ?
C87 C88 C89 124.8(17) . . ?
C87 C88 H88 117.6 . . ?
C89 C88 H88 117.6 . . ?
C88 C89 C90 118.9(14) . . ?
C88 C89 H89 120.5 . . ?
C90 C89 H89 120.5 . . ?
C91 C90 C89 117.6(13) . . ?
C91 C90 H90 121.2 . . ?
C89 C90 H90 121.2 . . ?
C86 C91 C90 121.7(13) . . ?
C86 C91 C92 105.1(12) . . ?
C90 C91 C92 133.2(13) . . ?
N11 C92 N12 127.8(12) . . ?
N11 C92 C91 111.5(13) . . ?
N12 C92 C91 120.5(11) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 N2 2.424(9) . ?
Eu1 N3 2.425(11) . ?
Eu1 N4 2.441(10) . ?
Eu1 N1 2.462(9) . ?
Eu1 N7 2.462(11) . ?
Eu1 N5 2.481(11) . ?
Eu1 N11 2.491(10) . ?
Eu1 N9 2.492(11) . ?
N1 C4 1.341(16) . ?
N1 C1 1.379(15) . ?
N2 C15 1.383(17) . ?
N2 C12 1.386(15) . ?
N3 C23 1.397(17) . ?
N3 C26 1.398(18) . ?
N4 C42 1.359(16) . ?
N4 C45 1.381(16) . ?
N5 C68 1.357(17) . ?
N5 C61 1.365(17) . ?
N6 C69 1.312(16) . ?
N6 C68 1.341(16) . ?
N7 C69 1.355(16) . ?
N7 C76 1.395(17) . ?
N8 C76 1.333(16) . ?
N8 C77 1.347(17) . ?
N9 C77 1.333(16) . ?
N9 C84 1.371(17) . ?
N10 C84 1.303(16) . ?
N10 C85 1.315(17) . ?
N11 C92 1.321(16) . ?
N11 C85 1.388(16) . ?
N12 C61 1.312(18) . ?
N12 C92 1.376(19) . ?
N13 C50 1.43(2) . ?
N13 C53' 1.47(6) . ?
N13 C53 1.48(4) . ?
N13 H13A 0.9700 . ?
N14 C31 1.39(2) . ?
N14 C34 1.48(14) . ?
N14 C34' 1.49(14) . ?
N14 H14A 0.9700 . ?
C1 C46 1.411(19) . ?
C1 C2 1.415(17) . ?
C2 C3 1.320(18) . ?
C2 H2 0.9300 . ?
C3 C4 1.453(18) . ?
C3 H3 0.9300 . ?
C4 C5 1.410(18) . ?
C5 C12 1.404(18) . ?
C5 C6 1.526(19) . ?
C6 C11 1.365(19) . ?
C6 C7 1.40(2) . ?
C7 C8 1.40(2) . ?
C7 H7 0.9300 . ?
C8 C9 1.35(2) . ?
C8 H8 0.9300 . ?
C9 C10 1.34(2) . ?
C9 H9 0.9300 . ?
C10 C11 1.411(19) . ?
C10 H10 0.9300 . ?
C11 H11 0.9300 . ?
C12 C13 1.453(17) . ?
C13 C14 1.286(18) . ?
C13 H13 0.9300 . ?
C14 C15 1.460(19) . ?
C14 H14 0.9300 . ?
C15 C16 1.392(19) . ?
C16 C23 1.391(17) . ?
C16 C17 1.476(19) . ?
C17 C22 1.35(2) . ?
C17 C18 1.39(2) . ?
C18 C19 1.40(2) . ?
C18 H18 0.9300 . ?
C19 C20 1.36(2) . ?
C19 H19 0.9300 . ?
C20 C21 1.27(2) . ?
C20 H20 0.9300 . ?
C21 C22 1.40(2) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
C23 C24 1.42(2) . ?
C24 C25 1.345(19) . ?
C24 H24 0.9300 . ?
C25 C26 1.443(17) . ?
C25 H25 0.9300 . ?
C26 C27 1.374(18) . ?
C27 C42 1.421(18) . ?
C27 C28 1.485(19) . ?
C28 C29 1.382(19) . ?
C28 C33 1.40(2) . ?
C29 C30 1.37(2) . ?
C29 H29 0.9300 . ?
C30 C31 1.36(2) . ?
C30 H30 0.9300 . ?
C31 C32 1.38(2) . ?
C32 C33 1.38(2) . ?
C32 H32 0.9300 . ?
C33 H33 0.9300 . ?
C34 C35 1.51(15) . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C35 C36 1.54(8) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C36 C37 1.54(7) . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C37 C38 1.51(7) . ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?
C38 C39 1.55(7) . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C39 C40 1.53(7) . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
C40 C41 1.52(7) . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C34' C35' 1.52(14) . ?
C34' H34C 0.9700 . ?
C34' H34D 0.9700 . ?
C35' C36' 1.53(9) . ?
C35' H35C 0.9700 . ?
C35' H35D 0.9700 . ?
C36' C37' 1.55(8) . ?
C36' H36C 0.9700 . ?
C36' H36D 0.9700 . ?
C37' C38' 1.52(8) . ?
C37' H37C 0.9700 . ?
C37' H37D 0.9700 . ?
C38' C39' 1.52(7) . ?
C38' H38C 0.9700 . ?
C38' H38D 0.9700 . ?
C39' C40' 1.53(7) . ?
C39' H39C 0.9700 . ?
C39' H39D 0.9700 . ?
C40' C41' 1.53(8) . ?
C40' H40C 0.9700 . ?
C40' H40D 0.9700 . ?
C41' H41D 0.9600 . ?
C41' H41E 0.9600 . ?
C41' H41F 0.9600 . ?
C42 C43 1.406(18) . ?
C43 C44 1.350(19) . ?
C43 H43 0.9300 . ?
C44 C45 1.446(18) . ?
C44 H44 0.9300 . ?
C45 C46 1.401(17) . ?
C46 C47 1.499(18) . ?
C47 C52 1.35(2) . ?
C47 C48 1.40(2) . ?
C48 C49 1.38(3) . ?
C48 H48 0.9300 . ?
C49 C50 1.35(3) . ?
C49 H49 0.9300 . ?
C50 C51 1.32(2) . ?
C51 C52 1.40(2) . ?
C51 H51 0.9300 . ?
C52 H52 0.9300 . ?
C53 C54 1.54(11) . ?
C53 H53A 0.9700 . ?
C53 H53B 0.9700 . ?
C54 C55 1.54(11) . ?
C54 H54A 0.9700 . ?
C54 H54B 0.9700 . ?
C55 C56 1.51(8) . ?
C55 H55A 0.9700 . ?
C55 H55B 0.9700 . ?
C56 C57 1.50(7) . ?
C56 H56A 0.9700 . ?
C56 H56B 0.9700 . ?
C57 C58 1.54(5) . ?
C57 H57A 0.9700 . ?
C57 H57B 0.9700 . ?
C58 C59 1.54(5) . ?
C58 H58A 0.9700 . ?
C58 H58B 0.9700 . ?
C59 C60 1.53(6) . ?
C59 H59A 0.9700 . ?
C59 H59B 0.9700 . ?
C60 H60A 0.9600 . ?
C60 H60B 0.9600 . ?
C60 H60C 0.9600 . ?
C53' C54' 1.52(9) . ?
C53' H53C 0.9700 . ?
C53' H53D 0.9700 . ?
C54' C55' 1.54(16) . ?
C54' H54C 0.9700 . ?
C54' H54D 0.9700 . ?
C55' C56' 1.52(19) . ?
C55' H55C 0.9700 . ?
C55' H55D 0.9700 . ?
C56' C57' 1.52(14) . ?
C56' H56C 0.9700 . ?
C56' H56D 0.9700 . ?
C57' C58' 1.52(10) . ?
C57' H57C 0.9700 . ?
C57' H57D 0.9700 . ?
C58' C59' 1.54(10) . ?
C58' H58C 0.9700 . ?
C58' H58D 0.9700 . ?
C59' C60' 1.54(9) . ?
C59' H59C 0.9700 . ?
C59' H59D 0.9700 . ?
C60' H60D 0.9600 . ?
C60' H60E 0.9600 . ?
C60' H60F 0.9600 . ?
C61 C62 1.49(2) . ?
C62 C63 1.355(19) . ?
C62 C67 1.395(18) . ?
C63 C64 1.39(2) . ?
C63 H63 0.9300 . ?
C64 C65 1.38(2) . ?
C64 H64 0.9300 . ?
C65 C66 1.35(2) . ?
C65 H65 0.9300 . ?
C66 C67 1.366(19) . ?
C66 H66 0.9300 . ?
C67 C68 1.471(18) . ?
C69 C70 1.472(19) . ?
C70 C75 1.359(17) . ?
C70 C71 1.361(19) . ?
C71 C72 1.36(2) . ?
C71 H71 0.9300 . ?
C72 C73 1.353(19) . ?
C72 H72 0.9300 . ?
C73 C74 1.39(2) . ?
C73 H73 0.9300 . ?
C74 C75 1.418(19) . ?
C74 H74 0.9300 . ?
C75 C76 1.449(19) . ?
C77 C78 1.486(19) . ?
C78 C79 1.376(19) . ?
C78 C83 1.383(19) . ?
C79 C80 1.37(2) . ?
C79 H79 0.9300 . ?
C80 C81 1.34(2) . ?
C80 H80 0.9300 . ?
C81 C82 1.39(2) . ?
C81 H81 0.9300 . ?
C82 C83 1.399(19) . ?
C82 H82 0.9300 . ?
C83 C84 1.464(18) . ?
C85 C86 1.469(19) . ?
C86 C91 1.373(19) . ?
C86 C87 1.403(19) . ?
C87 C88 1.351(19) . ?
C87 H87 0.9300 . ?
C88 C89 1.38(2) . ?
C88 H88 0.9300 . ?
C89 C90 1.39(2) . ?
C89 H89 0.9300 . ?
C90 C91 1.377(18) . ?
C90 H90 0.9300 . ?
C91 C92 1.465(19) . ?
