#------------------------------------------------------------------------------
#$Date: 2020-09-06 12:30:59 +0300 (Sun, 06 Sep 2020) $
#$Revision: 256056 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/49/7704956.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_7704956
loop_
_publ_author_name
'Ullmann, Steve'
'Hahn, Peter'
'Mini, Parvathy'
'Tuck, Kellie L.'
'Kahnt, Axel'
'Abel, Bernd'
'Gutierrez Suburu, Matias E.'
'Strassert, Cristian A.'
'Kersting, Berthold'
_publ_section_title
;
 Mixed-ligand lanthanide complexes supported by ditopic
 bis(imino-methyl)-phenol/calix[4]arene macrocycles: synthesis,
 structures, and luminescence properties of
 [Ln₂(L²)(MeOH)₂] (Ln = La, Eu, Tb, Yb).
;
_journal_issue                   32
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11179
_journal_page_last               11191
_journal_paper_doi               10.1039/d0dt02303e
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C95 H102 Cl8 Eu2 N4 O13'
_chemical_formula_weight         2095.32
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-05-25 deposited with the CCDC.	2020-07-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 110.101(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.6466(3)
_cell_length_b                   33.1024(7)
_cell_length_c                   20.4799(4)
_cell_measurement_reflns_used    6390
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      26.87
_cell_measurement_theta_min      2.92
_cell_volume                     9324.6(4)
_computing_cell_refinement       'STOE  software'
_computing_data_collection       'STOE  software'
_computing_data_reduction        'STOE X-AREA'
_computing_molecular_graphics    ' ORTEP  for Windows '
_computing_publication_material  ' POVRAY for Windows '
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    SHELXS
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'STOE Stadivari'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54186
_diffrn_reflns_av_R_equivalents  0.0698
_diffrn_reflns_av_unetI/netI     0.0793
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            117925
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_theta_full        67.686
_diffrn_reflns_theta_max         70.631
_diffrn_reflns_theta_min         3.480
_exptl_absorpt_coefficient_mu    12.147
_exptl_absorpt_correction_T_max  0.295
_exptl_absorpt_correction_T_min  0.202
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
Busing, W. R. & Levy, H. A. (1957) Acta Cryst. 10, 180-182. 
and Coppens, P., Leiserowitz, L. & Rabinovich, D. (1965) 
Acta Cryst. 1965, 1035-1038.
;
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.493
_exptl_crystal_density_meas      ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4264
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.140
_refine_diff_density_max         1.414
_refine_diff_density_min         -0.872
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.817
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1109
_refine_ls_number_reflns         17529
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.817
_refine_ls_R_factor_all          0.0714
_refine_ls_R_factor_gt           0.0433
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0591P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0995
_refine_ls_wR_factor_ref         0.1052
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10619
_reflns_number_total             17529
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt02303e2.cif
_cod_data_source_block           102_eu
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7704956--7704957.cif.
;
_cod_original_cell_volume        9324.6(3)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7704956
_shelx_shelxl_version_number     2018/3
_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   0.195
_shelx_estimated_absorpt_t_max   0.281
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
C91 C 0.0274(5) 0.6217(3) -0.0532(4) 0.104(3) Uani 1 1 d . . . . .
H91A H 0.075160 0.599451 -0.037442 0.125 Uiso 1 1 calc R U . . .
H91B H 0.049994 0.644400 -0.020147 0.125 Uiso 1 1 calc R U . . .
Cl1 Cl -0.08659(14) 0.60504(6) -0.05314(10) 0.0938(5) Uani 1 1 d . . . . .
Cl2 Cl 0.02179(15) 0.63754(8) -0.13664(12) 0.1142(7) Uani 1 1 d . . . . .
C92 C -0.0442(9) 0.5204(3) 0.2545(6) 0.163(5) Uani 1 1 d . . . . .
H92A H 0.013259 0.537690 0.260635 0.195 Uiso 1 1 calc R U . . .
H92B H -0.084796 0.521376 0.204619 0.195 Uiso 1 1 calc R U . . .
Cl3 Cl -0.00341(19) 0.47092(7) 0.27402(18) 0.1500(11) Uani 1 1 d . . . . .
Cl4 Cl -0.10446(19) 0.53987(10) 0.29713(17) 0.1566(11) Uani 1 1 d . . . . .
C93 C 0.0175(6) 0.7844(2) -0.0303(4) 0.102(2) Uani 1 1 d . . . . .
H93A H 0.002825 0.771392 0.008515 0.122 Uiso 1 1 calc R U . . .
H93B H -0.035533 0.803663 -0.053164 0.122 Uiso 1 1 calc R U . . .
Cl5 Cl 0.02167(18) 0.74840(9) -0.08870(14) 0.1513(11) Uani 1 1 d . . . . .
Cl6 Cl 0.1262(2) 0.81032(8) 0.00229(19) 0.1725(14) Uani 1 1 d . . . . .
C94 C 0.3768(9) 0.4640(2) 0.0309(5) 0.148(4) Uani 1 1 d . . . . .
H94A H 0.436292 0.473383 0.068221 0.178 Uiso 1 1 calc R U . . .
H94B H 0.321724 0.480838 0.032522 0.178 Uiso 1 1 calc R U . . .
Cl7 Cl 0.3562(3) 0.41645(8) 0.04433(16) 0.2007(17) Uani 1 1 d . . . . .
Cl8 Cl 0.3915(4) 0.47005(12) -0.0504(2) 0.251(2) Uani 1 1 d . . . . .
C95 C -0.0266(10) 0.7013(3) 0.0738(7) 0.185(6) Uani 1 1 d . . . . .
H95E H -0.041596 0.700172 0.116869 0.277 Uiso 1 1 calc R U . . .
H95F H -0.045177 0.675687 0.048653 0.277 Uiso 1 1 calc R U . . .
H95D H -0.062857 0.723470 0.044680 0.277 Uiso 1 1 calc R U . . .
O13 O 0.0652(8) 0.7072(3) 0.0886(7) 0.261(6) Uani 1 1 d . . . . .
H13 H 0.089138 0.689385 0.069988 0.391 Uiso 1 1 d R U . . .
Eu1 Eu 0.38168(2) 0.32368(2) 0.43604(2) 0.03799(8) Uani 1 1 d . . . . .
Eu2 Eu 0.41263(2) 0.57065(2) 0.22841(2) 0.04031(8) Uani 1 1 d . . . . .
N1 N 0.5625(3) 0.31689(11) 0.4949(2) 0.0449(10) Uani 1 1 d . . . . .
N2 N 0.4194(3) 0.50229(11) 0.3930(2) 0.0434(10) Uani 1 1 d . . . . .
N3 N 0.5736(3) 0.55597(11) 0.2163(2) 0.0498(11) Uani 1 1 d . . . . .
N4 N 0.3386(3) 0.39199(12) 0.2505(2) 0.0443(10) Uani 1 1 d . . . . .
O1 O 0.4358(2) 0.27289(9) 0.53398(17) 0.0472(8) Uani 1 1 d . . . . .
O2 O 0.3206(2) 0.26696(9) 0.38818(17) 0.0474(8) Uani 1 1 d . . . . .
O3 O 0.2287(2) 0.35292(9) 0.34351(17) 0.0437(8) Uani 1 1 d . . . . .
O4 O 0.2970(2) 0.34149(10) 0.49793(18) 0.0466(8) Uani 1 1 d . . . . .
O5 O 0.4480(2) 0.38565(9) 0.44326(18) 0.0438(8) Uani 1 1 d . . . . .
O6 O 0.4656(2) 0.61955(10) 0.1557(2) 0.0537(9) Uani 1 1 d . . . . .
O7 O 0.3709(2) 0.62792(9) 0.26242(18) 0.0500(9) Uani 1 1 d . . . . .
O8 O 0.2706(2) 0.54849(9) 0.26571(17) 0.0443(8) Uani 1 1 d . . . . .
O9 O 0.3029(2) 0.56682(10) 0.12740(18) 0.0519(9) Uani 1 1 d . . . . .
O10 O 0.4280(2) 0.50253(9) 0.22679(19) 0.0480(9) Uani 1 1 d . . . . .
O11 O 0.4283(3) 0.32901(10) 0.33200(18) 0.0498(9) Uani 1 1 d . . . . .
H11A H 0.414376 0.350606 0.309193 0.075 Uiso 1 1 calc R U . . .
O12 O 0.5100(3) 0.55912(9) 0.34773(18) 0.0503(9) Uani 1 1 d . . . . .
H12A H 0.484835 0.539852 0.362213 0.075 Uiso 1 1 calc R U . . .
C1 C 0.3416(4) 0.21252(15) 0.5239(3) 0.0524(13) Uani 1 1 d . . . . .
C2 C 0.3751(4) 0.19538(15) 0.4662(3) 0.0527(13) Uani 1 1 d . . . . .
H2A H 0.431272 0.211181 0.463866 0.063 Uiso 1 1 calc R U . . .
H2B H 0.396462 0.167049 0.477332 0.063 Uiso 1 1 calc R U . . .
C3 C 0.2949(4) 0.19689(14) 0.3972(3) 0.0471(13) Uani 1 1 d . . . . .
C4 C 0.2397(4) 0.16283(15) 0.3672(3) 0.0505(14) Uani 1 1 d . . . . .
H4 H 0.254354 0.137622 0.390645 0.061 Uiso 1 1 calc R U . . .
C5 C 0.1647(4) 0.16506(15) 0.3043(3) 0.0527(14) Uani 1 1 d . . . . .
H5 H 0.130162 0.141329 0.283914 0.063 Uiso 1 1 calc R U . . .
C6 C 0.1398(4) 0.20184(15) 0.2709(3) 0.0514(13) Uani 1 1 d . . . . .
H6 H 0.086764 0.203406 0.228228 0.062 Uiso 1 1 calc R U . . .
C7 C 0.1918(4) 0.23649(14) 0.2992(3) 0.0443(12) Uani 1 1 d . . . . .
C8 C 0.1617(4) 0.27801(15) 0.2657(3) 0.0482(12) Uani 1 1 d . . . . .
H8A H 0.220275 0.293473 0.267292 0.058 Uiso 1 1 calc R U . . .
H8B H 0.120218 0.274645 0.216426 0.058 Uiso 1 1 calc R U . . .
C9 C 0.1059(4) 0.30114(15) 0.3046(3) 0.0452(12) Uani 1 1 d . . . . .
C10 C 0.0175(4) 0.28613(16) 0.3033(3) 0.0545(14) Uani 1 1 d . . . . .
H10 H -0.008086 0.262659 0.276599 0.065 Uiso 1 1 calc R U . . .
C11 C -0.0344(4) 0.30426(16) 0.3397(3) 0.0583(15) Uani 1 1 d . . . . .
H11 H -0.095914 0.293772 0.337104 0.070 Uiso 1 1 calc R U . . .
C12 C 0.0030(4) 0.33769(16) 0.3800(3) 0.0538(14) Uani 1 1 d . . . . .
H12 H -0.032444 0.349783 0.405992 0.065 Uiso 1 1 calc R U . . .
C13 C 0.0917(3) 0.35393(14) 0.3832(3) 0.0456(12) Uani 1 1 d . . . . .
C14 C 0.1326(4) 0.38884(15) 0.4337(3) 0.0524(14) Uani 1 1 d . . . . .
H14A H 0.190874 0.399932 0.425946 0.063 Uiso 1 1 calc R U . . .
H14B H 0.083525 0.410640 0.424465 0.063 Uiso 1 1 calc R U . . .
C15 C 0.1596(4) 0.37521(15) 0.5080(3) 0.0498(13) Uani 1 1 d . . . . .
C16 C 0.1043(4) 0.38490(17) 0.5489(3) 0.0628(16) Uani 1 1 d . . . . .
H16 H 0.048181 0.401336 0.530255 0.075 Uiso 1 1 calc R U . . .
C17 C 0.1300(5) 0.37100(19) 0.6162(4) 0.0714(18) Uani 1 1 d . . . . .
H17 H 0.091864 0.378141 0.643786 0.086 Uiso 1 1 calc R U . . .
C18 C 0.2113(5) 0.34656(18) 0.6439(3) 0.0628(16) Uani 1 1 d . . . . .
H18 H 0.228240 0.336980 0.690317 0.075 Uiso 1 1 calc R U . . .
C19 C 0.2680(4) 0.33605(15) 0.6046(3) 0.0512(13) Uani 1 1 d . . . . .
C20 C 0.3542(4) 0.30824(15) 0.6331(3) 0.0544(14) Uani 1 1 d . . . . .
H20A H 0.372325 0.306439 0.684265 0.065 Uiso 1 1 calc R U . . .
H20B H 0.410295 0.319660 0.622844 0.065 Uiso 1 1 calc R U . . .
C21 C 0.3325(4) 0.26611(16) 0.6019(3) 0.0522(13) Uani 1 1 d . . . . .
C22 C 0.2652(4) 0.24308(17) 0.6210(3) 0.0649(16) Uani 1 1 d . . . . .
H22 H 0.238063 0.253556 0.653505 0.078 Uiso 1 1 calc R U . . .
C23 C 0.2383(5) 0.20486(18) 0.5924(3) 0.0724(18) Uani 1 1 d . . . . .
H23 H 0.193906 0.189062 0.606218 0.087 Uiso 1 1 calc R U . . .
C24 C 0.2752(4) 0.19011(17) 0.5448(3) 0.0644(16) Uani 1 1 d . . . . .
H24 H 0.255628 0.164134 0.525248 0.077 Uiso 1 1 calc R U . . .
C25 C 0.3694(4) 0.24986(15) 0.5544(3) 0.0487(13) Uani 1 1 d . . . . .
C26 C 0.2425(4) 0.35082(14) 0.5359(3) 0.0458(12) Uani 1 1 d . . . . .
C27 C 0.1408(3) 0.33558(14) 0.3440(3) 0.0413(11) Uani 1 1 d . . . . .
C28 C 0.2698(4) 0.23433(14) 0.3614(3) 0.0438(12) Uani 1 1 d . . . . .
C29 C 0.5380(4) 0.26587(15) 0.5730(3) 0.0513(13) Uani 1 1 d . . . . .
H29A H 0.549167 0.237179 0.587152 0.062 Uiso 1 1 calc R U . . .
H29B H 0.559622 0.282914 0.615309 0.062 Uiso 1 1 calc R U . . .
C30 C 0.5929(4) 0.27689(14) 0.5250(3) 0.0499(13) Uani 1 1 d . . . . .
H30A H 0.663598 0.276940 0.551253 0.060 Uiso 1 1 calc R U . . .
H30B H 0.579673 0.256577 0.487358 0.060 Uiso 1 1 calc R U . . .
C31 C 0.6304(4) 0.34221(14) 0.4992(3) 0.0456(12) Uani 1 1 d . . . . .
H31 H 0.694998 0.332718 0.521076 0.055 Uiso 1 1 calc R U . . .
C32 C 0.6206(3) 0.38372(14) 0.4747(3) 0.0428(12) Uani 1 1 d . . . . .
C33 C 0.7049(4) 0.40480(14) 0.4784(3) 0.0454(12) Uani 1 1 d . . . . .
H33 H 0.765163 0.390808 0.494994 0.054 Uiso 1 1 calc R U . . .
C34 C 0.7057(4) 0.44527(14) 0.4592(3) 0.0440(12) Uani 1 1 d . . . . .
C35 C 0.6171(3) 0.46452(14) 0.4378(3) 0.0436(12) Uani 1 1 d . . . . .
H35 H 0.614873 0.492260 0.425434 0.052 Uiso 1 1 calc R U . . .
C36 C 0.5309(3) 0.44557(13) 0.4333(3) 0.0402(11) Uani 1 1 d . . . . .
C37 C 0.5287(3) 0.40363(13) 0.4495(3) 0.0403(11) Uani 1 1 d . . . . .
C38 C 0.4390(3) 0.46671(14) 0.4172(3) 0.0419(11) Uani 1 1 d . . . . .
H38 H 0.387917 0.452430 0.425688 0.050 Uiso 1 1 calc R U . . .
C39 C 0.8021(4) 0.46568(15) 0.4640(3) 0.0504(13) Uani 1 1 d . . . . .
C40 C 0.8757(4) 0.4627(2) 0.5382(3) 0.0704(18) Uani 1 1 d . . . . .
H40A H 0.887749 0.434233 0.551428 0.106 Uiso 1 1 calc R U . . .
H40B H 0.849513 0.476375 0.570437 0.106 Uiso 1 1 calc R U . . .
H40C H 0.936772 0.475646 0.540208 0.106 Uiso 1 1 calc R U . . .
C41 C 0.8453(4) 0.44419(17) 0.4152(3) 0.0647(16) Uani 1 1 d . . . . .
H41A H 0.854410 0.415491 0.427484 0.097 Uiso 1 1 calc R U . . .
H41B H 0.908228 0.456347 0.419764 0.097 Uiso 1 1 calc R U . . .
H41C H 0.801020 0.446963 0.367111 0.097 Uiso 1 1 calc R U . . .
C42 C 0.7872(4) 0.51026(16) 0.4444(4) 0.082(2) Uani 1 1 d . . . . .
H42A H 0.850341 0.522880 0.451076 0.122 Uiso 1 1 calc R U . . .
H42B H 0.756300 0.523764 0.473951 0.122 Uiso 1 1 calc R U . . .
H42C H 0.745548 0.512771 0.395557 0.122 Uiso 1 1 calc R U . . .
C43 C 0.3205(3) 0.51648(15) 0.3817(3) 0.0484(13) Uani 1 1 d . . . . .
H43A H 0.323329 0.544689 0.398312 0.058 Uiso 1 1 calc R U . . .
H43B H 0.291514 0.499714 0.409519 0.058 Uiso 1 1 calc R U . . .
C44 C 0.2571(4) 0.51474(14) 0.3075(3) 0.0506(13) Uani 1 1 d . . . . .
H44A H 0.270142 0.489199 0.287143 0.061 Uiso 1 1 calc R U . . .
H44B H 0.188414 0.514232 0.305005 0.061 Uiso 1 1 calc R U . . .
C45 C 0.3803(4) 0.68219(15) 0.1296(3) 0.0558(14) Uani 1 1 d . . . . .
C46 C 0.4261(4) 0.69620(15) 0.2040(3) 0.0626(16) Uani 1 1 d . . . . .
H46A H 0.479020 0.677311 0.228935 0.075 Uiso 1 1 calc R U . . .
H46B H 0.455507 0.723165 0.204279 0.075 Uiso 1 1 calc R U . . .
C47 C 0.3550(4) 0.69866(15) 0.2421(3) 0.0544(14) Uani 1 1 d . . . . .
C48 C 0.3105(5) 0.73473(16) 0.2498(3) 0.0698(18) Uani 1 1 d . . . . .
H48 H 0.328419 0.759127 0.232958 0.084 Uiso 1 1 calc R U . . .
C49 C 0.2419(5) 0.73580(16) 0.2812(3) 0.0700(18) Uani 1 1 d . . . . .
H49 H 0.213398 0.760836 0.286336 0.084 Uiso 1 1 calc R U . . .
C50 C 0.2136(4) 0.70054(16) 0.3055(3) 0.0611(15) Uani 1 1 d . . . . .
H50 H 0.165541 0.701392 0.326994 0.073 Uiso 1 1 calc R U . . .
C51 C 0.2563(4) 0.66357(14) 0.2983(3) 0.0527(14) Uani 1 1 d . . . . .
C52 C 0.2206(4) 0.62398(15) 0.3180(3) 0.0532(14) Uani 1 1 d . . . . .
H52A H 0.183961 0.629211 0.349781 0.064 Uiso 1 1 calc R U . . .
H52B H 0.276764 0.606493 0.342569 0.064 Uiso 1 1 calc R U . . .
C53 C 0.1551(4) 0.60269(14) 0.2527(3) 0.0473(12) Uani 1 1 d . . . . .
C54 C 0.0672(4) 0.61969(16) 0.2141(3) 0.0594(15) Uani 1 1 d . . . . .
H54 H 0.046197 0.643332 0.231067 0.071 Uiso 1 1 calc R U . . .
C55 C 0.0093(4) 0.60374(17) 0.1523(3) 0.0616(15) Uani 1 1 d . . . . .
H55 H -0.051433 0.615880 0.127284 0.074 Uiso 1 1 calc R U . . .
C56 C 0.0397(4) 0.57001(16) 0.1265(3) 0.0559(14) Uani 1 1 d . . . . .
H56 H 0.000184 0.559482 0.082745 0.067 Uiso 1 1 calc R U . . .
C57 C 0.1262(3) 0.55103(14) 0.1626(3) 0.0426(12) Uani 1 1 d . . . . .
C58 C 0.1586(4) 0.51451(14) 0.1302(3) 0.0491(13) Uani 1 1 d . . . . .
H58A H 0.220025 0.503760 0.163605 0.059 Uiso 1 1 calc R U . . .
H58B H 0.108763 0.493043 0.121297 0.059 Uiso 1 1 calc R U . . .
C59 C 0.1739(4) 0.52498(15) 0.0630(3) 0.0523(13) Uani 1 1 d . . . . .
C60 C 0.1207(5) 0.5088(2) -0.0004(3) 0.0787(19) Uani 1 1 d . . . . .
H60 H 0.069981 0.490202 -0.003260 0.094 Uiso 1 1 calc R U . . .
C61 C 0.1390(6) 0.5187(2) -0.0593(4) 0.104(3) Uani 1 1 d . . . . .
H61 H 0.099983 0.507624 -0.102690 0.124 Uiso 1 1 calc R U . . .
C62 C 0.2142(6) 0.5450(2) -0.0566(3) 0.083(2) Uani 1 1 d . . . . .
H62 H 0.227120 0.551459 -0.097716 0.100 Uiso 1 1 calc R U . . .
C63 C 0.2702(5) 0.56161(16) 0.0066(3) 0.0602(15) Uani 1 1 d . . . . .
C64 C 0.3596(4) 0.58775(16) 0.0151(3) 0.0606(15) Uani 1 1 d . . . . .
H64A H 0.370588 0.589292 -0.029858 0.073 Uiso 1 1 calc R U . . .
H64B H 0.417400 0.574942 0.049357 0.073 Uiso 1 1 calc R U . . .
C65 C 0.3479(4) 0.63054(17) 0.0396(3) 0.0576(15) Uani 1 1 d . . . . .
C66 C 0.2828(4) 0.65638(17) -0.0064(3) 0.0611(15) Uani 1 1 d . . . . .
H66 H 0.249692 0.647920 -0.052853 0.073 Uiso 1 1 calc R U . . .
C67 C 0.2655(5) 0.69408(19) 0.0144(3) 0.0665(17) Uani 1 1 d . . . . .
H67 H 0.220364 0.711450 -0.017719 0.080 Uiso 1 1 calc R U . . .
C68 C 0.3125(4) 0.70693(17) 0.0809(3) 0.0629(16) Uani 1 1 d . . . . .
H68 H 0.299129 0.733089 0.094386 0.076 Uiso 1 1 calc R U . . .
C69 C 0.3979(4) 0.64468(15) 0.1063(3) 0.0543(15) Uani 1 1 d . . . . .
C70 C 0.2499(4) 0.55163(15) 0.0666(3) 0.0505(13) Uani 1 1 d . . . . .
C71 C 0.1826(3) 0.56740(14) 0.2261(3) 0.0418(11) Uani 1 1 d . . . . .
C72 C 0.3289(4) 0.66244(14) 0.2679(3) 0.0501(13) Uani 1 1 d . . . . .
C73 C 0.5625(4) 0.61918(16) 0.1523(3) 0.0615(16) Uani 1 1 d . . . . .
H73A H 0.588565 0.647002 0.155912 0.074 Uiso 1 1 calc R U . . .
H73B H 0.561821 0.607307 0.107780 0.074 Uiso 1 1 calc R U . . .
C74 C 0.6238(4) 0.59396(14) 0.2125(3) 0.0583(15) Uani 1 1 d . . . . .
H74A H 0.686794 0.587855 0.206850 0.070 Uiso 1 1 calc R U . . .
H74B H 0.637011 0.609265 0.256342 0.070 Uiso 1 1 calc R U . . .
C75 C 0.6191(4) 0.52255(15) 0.2189(3) 0.0496(13) Uani 1 1 d . . . . .
H75 H 0.682873 0.524427 0.216944 0.060 Uiso 1 1 calc R U . . .
C76 C 0.5837(4) 0.48220(14) 0.2245(3) 0.0439(12) Uani 1 1 d . . . . .
C77 C 0.6467(4) 0.44977(14) 0.2267(3) 0.0481(13) Uani 1 1 d . . . . .
H77 H 0.708932 0.455586 0.224180 0.058 Uiso 1 1 calc R U . . .
C78 C 0.6225(4) 0.40964(14) 0.2324(3) 0.0476(13) Uani 1 1 d . . . . .
C79 C 0.5306(4) 0.40261(14) 0.2357(3) 0.0464(12) Uani 1 1 d . . . . .
H79 H 0.512135 0.375527 0.240221 0.056 Uiso 1 1 calc R U . . .
C80 C 0.4650(4) 0.43302(14) 0.2328(3) 0.0432(11) Uani 1 1 d . . . . .
C81 C 0.4903(4) 0.47463(13) 0.2280(3) 0.0432(12) Uani 1 1 d . . . . .
C82 C 0.3662(4) 0.42417(14) 0.2294(3) 0.0422(11) Uani 1 1 d . . . . .
H82 H 0.318255 0.444239 0.209699 0.051 Uiso 1 1 calc R U . . .
C83 C 0.6889(4) 0.37345(15) 0.2339(3) 0.0541(14) Uani 1 1 d . . . . .
C84 C 0.7871(4) 0.38668(17) 0.2295(4) 0.0726(19) Uani 1 1 d . . . . .
H84A H 0.776182 0.401837 0.186396 0.109 Uiso 1 1 calc R U . . .
H84B H 0.826701 0.362770 0.229922 0.109 Uiso 1 1 calc R U . . .
H84C H 0.820963 0.403881 0.269449 0.109 Uiso 1 1 calc R U . . .
C85 C 0.6367(5) 0.34587(17) 0.1712(3) 0.0705(18) Uani 1 1 d . . . . .
H85A H 0.575079 0.336434 0.174637 0.106 Uiso 1 1 calc R U . . .
H85B H 0.678085 0.322590 0.171326 0.106 Uiso 1 1 calc R U . . .
H85C H 0.623840 0.361106 0.127941 0.106 Uiso 1 1 calc R U . . .
C86 C 0.7076(4) 0.35026(16) 0.3019(3) 0.0584(15) Uani 1 1 d . . . . .
H86A H 0.743489 0.367530 0.341255 0.088 Uiso 1 1 calc R U . . .
H86B H 0.745942 0.326005 0.301877 0.088 Uiso 1 1 calc R U . . .
H86C H 0.645414 0.342413 0.306227 0.088 Uiso 1 1 calc R U . . .
C87 C 0.2341(3) 0.38896(16) 0.2392(3) 0.0486(13) Uani 1 1 d . . . . .
H87A H 0.208725 0.363015 0.216067 0.058 Uiso 1 1 calc R U . . .
H87B H 0.199019 0.411146 0.208370 0.058 Uiso 1 1 calc R U . . .
C88 C 0.2163(4) 0.39138(14) 0.3068(3) 0.0512(13) Uani 1 1 d . . . . .
H88A H 0.261520 0.411392 0.337108 0.061 Uiso 1 1 calc R U . . .
H88B H 0.149224 0.401208 0.297839 0.061 Uiso 1 1 calc R U . . .
C89 C 0.4377(5) 0.29753(17) 0.2882(4) 0.0758(19) Uani 1 1 d . . . . .
H89A H 0.416146 0.272063 0.302551 0.114 Uiso 1 1 calc R U . . .
H89B H 0.505917 0.295116 0.291709 0.114 Uiso 1 1 calc R U . . .
H89C H 0.397593 0.303574 0.240053 0.114 Uiso 1 1 calc R U . . .
C90 C 0.5497(5) 0.58774(18) 0.4027(3) 0.0749(19) Uani 1 1 d . . . . .
H90A H 0.609509 0.599277 0.399351 0.112 Uiso 1 1 calc R U . . .
H90B H 0.564260 0.574151 0.447671 0.112 Uiso 1 1 calc R U . . .
H90C H 0.502362 0.609372 0.398736 0.112 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -8.9294 11.1857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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
Cl1 C91 Cl2 111.5(4) . . ?
Cl1 C91 H91A 109.3 . . ?
Cl2 C91 H91A 109.3 . . ?
Cl1 C91 H91B 109.3 . . ?
Cl2 C91 H91B 109.3 . . ?
H91A C91 H91B 108.0 . . ?
Cl4 C92 Cl3 118.1(6) . . ?
Cl4 C92 H92A 107.8 . . ?
Cl3 C92 H92A 107.8 . . ?
Cl4 C92 H92B 107.8 . . ?
Cl3 C92 H92B 107.8 . . ?
H92A C92 H92B 107.1 . . ?
Cl5 C93 Cl6 111.6(5) . . ?
Cl5 C93 H93A 109.3 . . ?
Cl6 C93 H93A 109.3 . . ?
Cl5 C93 H93B 109.3 . . ?
Cl6 C93 H93B 109.3 . . ?
H93A C93 H93B 108.0 . . ?
Cl7 C94 Cl8 110.8(5) . . ?
Cl7 C94 H94A 109.5 . . ?
Cl8 C94 H94A 109.5 . . ?
Cl7 C94 H94B 109.5 . . ?
Cl8 C94 H94B 109.5 . . ?
H94A C94 H94B 108.1 . . ?
O13 C95 H95E 109.5 . . ?
O13 C95 H95F 109.5 . . ?
H95E C95 H95F 109.5 . . ?
O13 C95 H95D 109.5 . . ?
H95E C95 H95D 109.5 . . ?
H95F C95 H95D 109.5 . . ?
C95 O13 H13 110.6 . . ?
O4 Eu1 O2 105.88(12) . . ?
O4 Eu1 O5 92.00(12) . . ?
O2 Eu1 O5 157.16(12) . . ?
O4 Eu1 N1 118.07(13) . . ?
O2 Eu1 N1 110.06(12) . . ?
O5 Eu1 N1 71.97(11) . . ?
O4 Eu1 O1 78.49(12) . . ?
O2 Eu1 O1 75.54(11) . . ?
O5 Eu1 O1 122.91(11) . . ?
N1 Eu1 O1 64.46(11) . . ?
O4 Eu1 O3 78.31(11) . . ?
O2 Eu1 O3 82.70(11) . . ?
O5 Eu1 O3 87.28(10) . . ?
N1 Eu1 O3 153.26(11) . . ?
O1 Eu1 O3 142.23(10) . . ?
O9 Eu2 O7 99.23(13) . . ?
O9 Eu2 O10 88.41(13) . . ?
O7 Eu2 O10 155.54(12) . . ?
O9 Eu2 O6 75.29(12) . . ?
O7 Eu2 O6 78.77(12) . . ?
O10 Eu2 O6 125.69(12) . . ?
O9 Eu2 N3 108.22(14) . . ?
O7 Eu2 N3 125.33(13) . . ?
O10 Eu2 N3 72.77(12) . . ?
O6 Eu2 N3 64.57(12) . . ?
O9 Eu2 O8 81.62(11) . . ?
O7 Eu2 O8 78.91(11) . . ?
O10 Eu2 O8 79.29(10) . . ?
O6 Eu2 O8 144.61(10) . . ?
N3 Eu2 O8 149.87(11) . . ?
C31 N1 C30 116.5(4) . . ?
C31 N1 Eu1 129.8(3) . . ?
C30 N1 Eu1 113.6(3) . . ?
C38 N2 C43 115.9(4) . . ?
C75 N3 C74 118.4(4) . . ?
C75 N3 Eu2 131.1(3) . . ?
C74 N3 Eu2 110.1(3) . . ?
C82 N4 C87 116.1(4) . . ?
C25 O1 C29 115.9(4) . . ?
C25 O1 Eu1 122.4(3) . . ?
C29 O1 Eu1 121.7(3) . . ?
C28 O2 Eu1 170.1(3) . . ?
C27 O3 C88 113.9(3) . . ?
C27 O3 Eu1 114.0(3) . . ?
C88 O3 Eu1 129.1(3) . . ?
C26 O4 Eu1 177.3(3) . . ?
C37 O5 Eu1 141.9(3) . . ?
C69 O6 C73 115.3(4) . . ?
C69 O6 Eu2 121.5(3) . . ?
C73 O6 Eu2 122.3(3) . . ?
C72 O7 Eu2 166.0(3) . . ?
C71 O8 C44 113.3(4) . . ?
C71 O8 Eu2 112.1(3) . . ?
C44 O8 Eu2 132.9(3) . . ?
C70 O9 Eu2 159.4(3) . . ?
C81 O10 Eu2 141.5(3) . . ?
C89 O11 H11A 109.5 . . ?
C90 O12 H12A 109.5 . . ?
C25 C1 C24 117.5(5) . . ?
C25 C1 C2 123.9(5) . . ?
C24 C1 C2 118.6(5) . . ?
C3 C2 C1 111.1(4) . . ?
C3 C2 H2A 109.4 . . ?
C1 C2 H2A 109.4 . . ?
C3 C2 H2B 109.4 . . ?
C1 C2 H2B 109.4 . . ?
H2A C2 H2B 108.0 . . ?
C4 C3 C28 117.8(5) . . ?
C4 C3 C2 122.4(5) . . ?
C28 C3 C2 119.7(4) . . ?
C5 C4 C3 121.5(5) . . ?
C5 C4 H4 119.3 . . ?
C3 C4 H4 119.3 . . ?
C4 C5 C6 120.0(5) . . ?
C4 C5 H5 120.0 . . ?
C6 C5 H5 120.0 . . ?
C5 C6 C7 120.4(5) . . ?
C5 C6 H6 119.8 . . ?
C7 C6 H6 119.8 . . ?
C6 C7 C28 120.0(5) . . ?
C6 C7 C8 121.5(5) . . ?
C28 C7 C8 118.4(4) . . ?
C9 C8 C7 109.9(4) . . ?
C9 C8 H8A 109.7 . . ?
C7 C8 H8A 109.7 . . ?
C9 C8 H8B 109.7 . . ?
C7 C8 H8B 109.7 . . ?
H8A C8 H8B 108.2 . . ?
C10 C9 C27 117.5(5) . . ?
C10 C9 C8 118.5(5) . . ?
C27 C9 C8 124.0(4) . . ?
C11 C10 C9 121.6(5) . . ?
C11 C10 H10 119.2 . . ?
C9 C10 H10 119.2 . . ?
C10 C11 C12 119.8(5) . . ?
C10 C11 H11 120.1 . . ?
C12 C11 H11 120.1 . . ?
C11 C12 C13 120.8(5) . . ?
C11 C12 H12 119.6 . . ?
C13 C12 H12 119.6 . . ?
C12 C13 C27 117.8(5) . . ?
C12 C13 C14 117.9(5) . . ?
C27 C13 C14 124.1(4) . . ?
C15 C14 C13 111.3(4) . . ?
C15 C14 H14A 109.4 . . ?
C13 C14 H14A 109.4 . . ?
C15 C14 H14B 109.4 . . ?
C13 C14 H14B 109.4 . . ?
H14A C14 H14B 108.0 . . ?
C16 C15 C26 119.3(5) . . ?
C16 C15 C14 122.5(5) . . ?
C26 C15 C14 118.2(5) . . ?
C17 C16 C15 120.8(6) . . ?
C17 C16 H16 119.6 . . ?
C15 C16 H16 119.6 . . ?
C16 C17 C18 120.2(6) . . ?
C16 C17 H17 119.9 . . ?
C18 C17 H17 119.9 . . ?
C19 C18 C17 120.6(6) . . ?
C19 C18 H18 119.7 . . ?
C17 C18 H18 119.7 . . ?
C18 C19 C26 119.1(5) . . ?
C18 C19 C20 121.2(5) . . ?
C26 C19 C20 119.7(5) . . ?
C19 C20 C21 111.7(4) . . ?
C19 C20 H20A 109.3 . . ?
C21 C20 H20A 109.3 . . ?
C19 C20 H20B 109.3 . . ?
C21 C20 H20B 109.3 . . ?
H20A C20 H20B 107.9 . . ?
C25 C21 C22 118.0(5) . . ?
C25 C21 C20 125.4(5) . . ?
C22 C21 C20 116.5(5) . . ?
C23 C22 C21 120.0(6) . . ?
C23 C22 H22 120.0 . . ?
C21 C22 H22 120.0 . . ?
C24 C23 C22 120.2(5) . . ?
C24 C23 H23 119.9 . . ?
C22 C23 H23 119.9 . . ?
C23 C24 C1 121.2(5) . . ?
C23 C24 H24 119.4 . . ?
C1 C24 H24 119.4 . . ?
C21 C25 C1 123.0(5) . . ?
C21 C25 O1 118.6(4) . . ?
C1 C25 O1 118.4(5) . . ?
O4 C26 C15 120.3(5) . . ?
O4 C26 C19 119.8(5) . . ?
C15 C26 C19 119.9(5) . . ?
C13 C27 C9 122.4(4) . . ?
C13 C27 O3 118.7(4) . . ?
C9 C27 O3 118.9(4) . . ?
O2 C28 C7 120.5(4) . . ?
O2 C28 C3 119.3(5) . . ?
C7 C28 C3 120.2(5) . . ?
O1 C29 C30 106.3(4) . . ?
O1 C29 H29A 110.5 . . ?
C30 C29 H29A 110.5 . . ?
O1 C29 H29B 110.5 . . ?
C30 C29 H29B 110.5 . . ?
H29A C29 H29B 108.7 . . ?
N1 C30 C29 109.8(4) . . ?
N1 C30 H30A 109.7 . . ?
C29 C30 H30A 109.7 . . ?
N1 C30 H30B 109.7 . . ?
C29 C30 H30B 109.7 . . ?
H30A C30 H30B 108.2 . . ?
N1 C31 C32 127.8(5) . . ?
N1 C31 H31 116.1 . . ?
C32 C31 H31 116.1 . . ?
C33 C32 C37 119.7(4) . . ?
C33 C32 C31 118.2(4) . . ?
C37 C32 C31 122.1(4) . . ?
C32 C33 C34 123.8(5) . . ?
C32 C33 H33 118.1 . . ?
C34 C33 H33 118.1 . . ?
C35 C34 C33 115.8(4) . . ?
C35 C34 C39 124.2(4) . . ?
C33 C34 C39 120.0(4) . . ?
C34 C35 C36 123.4(4) . . ?
C34 C35 H35 118.3 . . ?
C36 C35 H35 118.3 . . ?
C35 C36 C37 121.2(4) . . ?
C35 C36 C38 123.4(4) . . ?
C37 C36 C38 115.3(4) . . ?
O5 C37 C32 122.8(4) . . ?
O5 C37 C36 121.2(4) . . ?
C32 C37 C36 116.0(4) . . ?
N2 C38 C36 127.0(5) . . ?
N2 C38 H38 116.5 . . ?
C36 C38 H38 116.5 . . ?
C42 C39 C41 109.4(5) . . ?
C42 C39 C40 108.1(5) . . ?
C41 C39 C40 108.1(5) . . ?
C42 C39 C34 111.3(4) . . ?
C41 C39 C34 109.3(4) . . ?
C40 C39 C34 110.6(4) . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C39 C41 H41A 109.5 . . ?
C39 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C39 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C39 C42 H42A 109.5 . . ?
C39 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C39 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
N2 C43 C44 112.7(4) . . ?
N2 C43 H43A 109.0 . . ?
C44 C43 H43A 109.0 . . ?
N2 C43 H43B 109.0 . . ?
C44 C43 H43B 109.0 . . ?
H43A C43 H43B 107.8 . . ?
O8 C44 C43 114.0(4) . . ?
O8 C44 H44A 108.7 . . ?
C43 C44 H44A 108.7 . . ?
O8 C44 H44B 108.7 . . ?
C43 C44 H44B 108.7 . . ?
H44A C44 H44B 107.6 . . ?
C69 C45 C68 116.6(6) . . ?
C69 C45 C46 123.5(5) . . ?
C68 C45 C46 119.9(5) . . ?
C47 C46 C45 113.2(5) . . ?
C47 C46 H46A 108.9 . . ?
C45 C46 H46A 108.9 . . ?
C47 C46 H46B 108.9 . . ?
C45 C46 H46B 108.9 . . ?
H46A C46 H46B 107.8 . . ?
C48 C47 C72 119.1(6) . . ?
C48 C47 C46 122.6(5) . . ?
C72 C47 C46 118.2(5) . . ?
C49 C48 C47 121.5(6) . . ?
C49 C48 H48 119.2 . . ?
C47 C48 H48 119.2 . . ?
C48 C49 C50 120.4(5) . . ?
C48 C49 H49 119.8 . . ?
C50 C49 H49 119.8 . . ?
C49 C50 C51 119.8(6) . . ?
C49 C50 H50 120.1 . . ?
C51 C50 H50 120.1 . . ?
C72 C51 C50 120.1(5) . . ?
C72 C51 C52 118.5(4) . . ?
C50 C51 C52 121.2(5) . . ?
C51 C52 C53 109.6(4) . . ?
C51 C52 H52A 109.7 . . ?
C53 C52 H52A 109.7 . . ?
C51 C52 H52B 109.7 . . ?
C53 C52 H52B 109.7 . . ?
H52A C52 H52B 108.2 . . ?
C54 C53 C71 116.9(5) . . ?
C54 C53 C52 119.8(4) . . ?
C71 C53 C52 123.1(5) . . ?
C55 C54 C53 122.3(5) . . ?
C55 C54 H54 118.9 . . ?
C53 C54 H54 118.9 . . ?
C54 C55 C56 119.4(5) . . ?
C54 C55 H55 120.3 . . ?
C56 C55 H55 120.3 . . ?
C55 C56 C57 121.6(5) . . ?
C55 C56 H56 119.2 . . ?
C57 C56 H56 119.2 . . ?
C56 C57 C71 117.7(5) . . ?
C56 C57 C58 119.5(5) . . ?
C71 C57 C58 122.7(4) . . ?
C59 C58 C57 112.3(4) . . ?
C59 C58 H58A 109.1 . . ?
C57 C58 H58A 109.1 . . ?
C59 C58 H58B 109.1 . . ?
C57 C58 H58B 109.1 . . ?
H58A C58 H58B 107.9 . . ?
C60 C59 C70 118.6(6) . . ?
C60 C59 C58 123.9(5) . . ?
C70 C59 C58 117.5(5) . . ?
C61 C60 C59 121.4(6) . . ?
C61 C60 H60 119.3 . . ?
C59 C60 H60 119.3 . . ?
C60 C61 C62 120.7(7) . . ?
C60 C61 H61 119.7 . . ?
C62 C61 H61 119.7 . . ?
C63 C62 C61 119.6(6) . . ?
C63 C62 H62 120.2 . . ?
C61 C62 H62 120.2 . . ?
C62 C63 C70 119.3(6) . . ?
C62 C63 C64 122.8(6) . . ?
C70 C63 C64 117.7(5) . . ?
C63 C64 C65 111.9(5) . . ?
C63 C64 H64A 109.2 . . ?
C65 C64 H64A 109.2 . . ?
C63 C64 H64B 109.2 . . ?
C65 C64 H64B 109.2 . . ?
H64A C64 H64B 107.9 . . ?
C66 C65 C69 117.9(5) . . ?
C66 C65 C64 118.6(6) . . ?
C69 C65 C64 123.5(5) . . ?
C67 C66 C65 120.6(6) . . ?
C67 C66 H66 119.7 . . ?
C65 C66 H66 119.7 . . ?
C68 C67 C66 120.7(6) . . ?
C68 C67 H67 119.7 . . ?
C66 C67 H67 119.7 . . ?
C67 C68 C45 121.2(6) . . ?
C67 C68 H68 119.4 . . ?
C45 C68 H68 119.4 . . ?
C45 C69 C65 122.8(5) . . ?
C45 C69 O6 116.5(5) . . ?
C65 C69 O6 120.5(5) . . ?
O9 C70 C63 120.3(5) . . ?
O9 C70 C59 119.2(5) . . ?
C63 C70 C59 120.5(5) . . ?
C57 C71 C53 122.0(4) . . ?
C57 C71 O8 119.8(4) . . ?
C53 C71 O8 118.2(4) . . ?
O7 C72 C51 120.4(5) . . ?
O7 C72 C47 120.5(5) . . ?
C51 C72 C47 119.1(5) . . ?
O6 C73 C74 106.5(4) . . ?
O6 C73 H73A 110.4 . . ?
C74 C73 H73A 110.4 . . ?
O6 C73 H73B 110.4 . . ?
C74 C73 H73B 110.4 . . ?
H73A C73 H73B 108.6 . . ?
N3 C74 C73 110.5(4) . . ?
N3 C74 H74A 109.6 . . ?
C73 C74 H74A 109.6 . . ?
N3 C74 H74B 109.6 . . ?
C73 C74 H74B 109.6 . . ?
H74A C74 H74B 108.1 . . ?
N3 C75 C76 126.9(5) . . ?
N3 C75 H75 116.5 . . ?
C76 C75 H75 116.5 . . ?
C77 C76 C81 119.9(4) . . ?
C77 C76 C75 117.1(4) . . ?
C81 C76 C75 123.0(4) . . ?
C78 C77 C76 123.3(5) . . ?
C78 C77 H77 118.4 . . ?
C76 C77 H77 118.4 . . ?
C77 C78 C79 116.3(4) . . ?
C77 C78 C83 124.7(5) . . ?
C79 C78 C83 119.0(4) . . ?
C80 C79 C78 123.2(4) . . ?
C80 C79 H79 118.4 . . ?
C78 C79 H79 118.4 . . ?
C79 C80 C81 120.6(4) . . ?
C79 C80 C82 121.5(4) . . ?
C81 C80 C82 117.8(4) . . ?
O10 C81 C76 124.1(4) . . ?
O10 C81 C80 119.2(4) . . ?
C76 C81 C80 116.7(4) . . ?
N4 C82 C80 125.6(4) . . ?
N4 C82 H82 117.2 . . ?
C80 C82 H82 117.2 . . ?
C86 C83 C84 108.5(5) . . ?
C86 C83 C78 108.9(4) . . ?
C84 C83 C78 112.0(4) . . ?
C86 C83 C85 110.0(4) . . ?
C84 C83 C85 109.0(5) . . ?
C78 C83 C85 108.4(5) . . ?
C83 C84 H84A 109.5 . . ?
C83 C84 H84B 109.5 . . ?
H84A C84 H84B 109.5 . . ?
C83 C84 H84C 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
C83 C85 H85A 109.5 . . ?
C83 C85 H85B 109.5 . . ?
H85A C85 H85B 109.5 . . ?
C83 C85 H85C 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
C83 C86 H86A 109.5 . . ?
C83 C86 H86B 109.5 . . ?
H86A C86 H86B 109.5 . . ?
C83 C86 H86C 109.5 . . ?
H86A C86 H86C 109.5 . . ?
H86B C86 H86C 109.5 . . ?
N4 C87 C88 110.8(4) . . ?
N4 C87 H87A 109.5 . . ?
C88 C87 H87A 109.5 . . ?
N4 C87 H87B 109.5 . . ?
C88 C87 H87B 109.5 . . ?
H87A C87 H87B 108.1 . . ?
O3 C88 C87 113.5(4) . . ?
O3 C88 H88A 108.9 . . ?
C87 C88 H88A 108.9 . . ?
O3 C88 H88B 108.9 . . ?
C87 C88 H88B 108.9 . . ?
H88A C88 H88B 107.7 . . ?
O11 C89 H89A 109.5 . . ?
O11 C89 H89B 109.5 . . ?
H89A C89 H89B 109.5 . . ?
O11 C89 H89C 109.5 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 109.5 . . ?
O12 C90 H90A 109.5 . . ?
O12 C90 H90B 109.5 . . ?
H90A C90 H90B 109.5 . . ?
O12 C90 H90C 109.5 . . ?
H90A C90 H90C 109.5 . . ?
H90B C90 H90C 109.5 . . ?
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
C91 Cl1 1.759(7) . ?
C91 Cl2 1.761(8) . ?
C91 H91A 0.9900 . ?
C91 H91B 0.9900 . ?
C92 Cl4 1.577(9) . ?
C92 Cl3 1.741(10) . ?
C92 H92A 0.9900 . ?
C92 H92B 0.9900 . ?
C93 Cl5 1.703(7) . ?
C93 Cl6 1.729(8) . ?
C93 H93A 0.9900 . ?
C93 H93B 0.9900 . ?
C94 Cl7 1.645(8) . ?
C94 Cl8 1.762(9) . ?
C94 H94A 0.9900 . ?
C94 H94B 0.9900 . ?
C95 O13 1.288(13) . ?
C95 H95E 0.9800 . ?
C95 H95F 0.9800 . ?
C95 H95D 0.9800 . ?
O13 H13 0.8400 . ?
Eu1 O4 2.139(3) . ?
Eu1 O2 2.164(3) . ?
Eu1 O5 2.253(3) . ?
Eu1 N1 2.514(4) . ?
Eu1 O1 2.527(3) . ?
Eu1 O3 2.574(3) . ?
Eu2 O9 2.143(4) . ?
Eu2 O7 2.179(3) . ?
Eu2 O10 2.268(3) . ?
Eu2 O6 2.496(3) . ?
Eu2 N3 2.501(4) . ?
Eu2 O8 2.558(3) . ?
N1 C31 1.281(6) . ?
N1 C30 1.464(6) . ?
N2 C38 1.272(6) . ?
N2 C43 1.464(6) . ?
N3 C75 1.284(6) . ?
N3 C74 1.472(6) . ?
N4 C82 1.267(6) . ?
N4 C87 1.470(6) . ?
O1 C25 1.407(6) . ?
O1 C29 1.453(6) . ?
O2 C28 1.319(5) . ?
O3 C27 1.414(5) . ?
O3 C88 1.458(5) . ?
O4 C26 1.327(6) . ?
O5 C37 1.290(5) . ?
O6 C69 1.418(6) . ?
O6 C73 1.445(6) . ?
O7 C72 1.321(5) . ?
O8 C71 1.411(5) . ?
O8 C44 1.462(5) . ?
O9 C70 1.320(6) . ?
O10 C81 1.293(5) . ?
O11 C89 1.411(6) . ?
O11 H11A 0.8400 . ?
O12 C90 1.433(6) . ?
O12 H12A 0.8400 . ?
C1 C25 1.382(7) . ?
C1 C24 1.402(7) . ?
C1 C2 1.534(7) . ?
C2 C3 1.496(7) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.400(7) . ?
C3 C28 1.423(7) . ?
C4 C5 1.377(8) . ?
C4 H4 0.9500 . ?
C5 C6 1.383(7) . ?
C5 H5 0.9500 . ?
C6 C7 1.389(7) . ?
C6 H6 0.9500 . ?
C7 C28 1.389(7) . ?
C7 C8 1.532(7) . ?
C8 C9 1.527(7) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.379(7) . ?
C9 C27 1.389(7) . ?
C10 C11 1.372(7) . ?
C10 H10 0.9500 . ?
C11 C12 1.376(7) . ?
C11 H11 0.9500 . ?
C12 C13 1.387(7) . ?
C12 H12 0.9500 . ?
C13 C27 1.388(7) . ?
C13 C14 1.529(7) . ?
C14 C15 1.504(7) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.388(7) . ?
C15 C26 1.406(7) . ?
C16 C17 1.378(8) . ?
C16 H16 0.9500 . ?
C17 C18 1.390(8) . ?
C17 H17 0.9500 . ?
C18 C19 1.385(7) . ?
C18 H18 0.9500 . ?
C19 C26 1.414(7) . ?
C19 C20 1.509(8) . ?
C20 C21 1.521(7) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C25 1.375(7) . ?
C21 C22 1.403(7) . ?
C22 C23 1.393(8) . ?
C22 H22 0.9500 . ?
C23 C24 1.358(8) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C29 C30 1.514(7) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.453(6) . ?
C31 H31 0.9500 . ?
C32 C33 1.397(6) . ?
C32 C37 1.427(6) . ?
C33 C34 1.398(6) . ?
C33 H33 0.9500 . ?
C34 C35 1.376(7) . ?
C34 C39 1.537(7) . ?
C35 C36 1.384(6) . ?
C35 H35 0.9500 . ?
C36 C37 1.430(6) . ?
C36 C38 1.451(6) . ?
C38 H38 0.9500 . ?
C39 C42 1.525(7) . ?
C39 C41 1.530(7) . ?
C39 C40 1.535(8) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 C44 1.484(7) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 C69 1.386(8) . ?
C45 C68 1.404(7) . ?
C45 C46 1.511(8) . ?
C46 C47 1.504(8) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C47 C48 1.395(7) . ?
C47 C72 1.415(7) . ?
C48 C49 1.367(9) . ?
C48 H48 0.9500 . ?
C49 C50 1.387(8) . ?
C49 H49 0.9500 . ?
C50 C51 1.405(7) . ?
C50 H50 0.9500 . ?
C51 C72 1.405(8) . ?
C51 C52 1.516(7) . ?
C52 C53 1.526(7) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C53 C54 1.378(7) . ?
C53 C71 1.405(6) . ?
C54 C55 1.364(7) . ?
C54 H54 0.9500 . ?
C55 C56 1.373(7) . ?
C55 H55 0.9500 . ?
C56 C57 1.380(7) . ?
C56 H56 0.9500 . ?
C57 C71 1.389(7) . ?
C57 C58 1.530(6) . ?
C58 C59 1.509(7) . ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
C59 C60 1.373(8) . ?
C59 C70 1.402(7) . ?
C60 C61 1.364(9) . ?
C60 H60 0.9500 . ?
C61 C62 1.387(9) . ?
C61 H61 0.9500 . ?
C62 C63 1.386(8) . ?
C62 H62 0.9500 . ?
C63 C70 1.400(7) . ?
C63 C64 1.528(8) . ?
C64 C65 1.531(8) . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C65 C66 1.382(7) . ?
C65 C69 1.390(8) . ?
C66 C67 1.370(8) . ?
C66 H66 0.9500 . ?
C67 C68 1.364(8) . ?
C67 H67 0.9500 . ?
C68 H68 0.9500 . ?
C73 C74 1.504(7) . ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
C74 H74A 0.9900 . ?
C74 H74B 0.9900 . ?
C75 C76 1.452(6) . ?
C75 H75 0.9500 . ?
C76 C77 1.407(6) . ?
C76 C81 1.415(7) . ?
C77 C78 1.390(6) . ?
C77 H77 0.9500 . ?
C78 C79 1.391(7) . ?
C78 C83 1.536(6) . ?
C79 C80 1.379(6) . ?
C79 H79 0.9500 . ?
C80 C81 1.439(6) . ?
C80 C82 1.454(6) . ?
C82 H82 0.9500 . ?
C83 C86 1.531(7) . ?
C83 C84 1.535(7) . ?
C83 C85 1.546(8) . ?
C84 H84A 0.9800 . ?
C84 H84B 0.9800 . ?
C84 H84C 0.9800 . ?
C85 H85A 0.9800 . ?
C85 H85B 0.9800 . ?
C85 H85C 0.9800 . ?
C86 H86A 0.9800 . ?
C86 H86B 0.9800 . ?
C86 H86C 0.9800 . ?
C87 C88 1.496(7) . ?
C87 H87A 0.9900 . ?
C87 H87B 0.9900 . ?
C88 H88A 0.9900 . ?
C88 H88B 0.9900 . ?
C89 H89A 0.9800 . ?
C89 H89B 0.9800 . ?
C89 H89C 0.9800 . ?
C90 H90A 0.9800 . ?
C90 H90B 0.9800 . ?
C90 H90C 0.9800 . ?
