#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:06:53 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179557 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/26/4502646.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_4502646
loop_
_publ_author_name
'Yi, Fei-Yan'
'Lin, Qi-Pu'
'Zhou, Tian-Hua'
'Mao, Jiang-Gao'
_publ_section_title
;
 A Series of Novel Lanthanide(III) Trisulfonates Based on Dinuclear
 Clusters
;
_journal_issue                   4
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1788
_journal_paper_doi               10.1021/cg901463f
_journal_volume                  10
_journal_year                    2010
_chemical_formula_sum            'C60 H62 Eu2 N8 O32 S6'
_chemical_formula_weight         1903.46
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_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                 101.383(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.788(3)
_cell_length_b                   19.547(4)
_cell_length_c                   25.031(5)
_cell_measurement_reflns_used    14954
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4797
_cell_measurement_theta_min      2.0836
_cell_volume                     7093(2)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Saturn70 (4x4 bin mode)'
_diffrn_measurement_method       CCD_Profile_fitting
_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  0.0486
_diffrn_reflns_av_sigmaI/netI    0.0539
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            53914
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.24
_exptl_absorpt_coefficient_mu    2.026
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8580
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.782
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3824
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.167
_refine_diff_density_min         -1.204
_refine_diff_density_rms         0.118
_refine_ls_extinction_method     shelxl
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     982
_refine_ls_number_reflns         16044
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.102
_refine_ls_R_factor_all          0.0674
_refine_ls_R_factor_gt           0.0550
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0451P)²+18.2430P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1192
_refine_ls_wR_factor_ref         0.1267
_reflns_number_gt                13610
_reflns_number_total             16044
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg901463f_si_001.cif
_cod_data_source_block           5
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_symmetry_cell_setting' tag value 'momoclinic' was replaced with
'monoclinic' value as specified in the replacement file
'/home/robertas/cod-tools/perl-scripts/inputs/replacement_values.lst'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        7093(3)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4502646
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Eu1 Eu 0.332521(17) 0.721057(12) 0.190263(10) 0.02905(8) Uani 1 1 d .
Eu2 Eu 0.186730(18) 0.734853(12) 0.307281(10) 0.03013(8) Uani 1 1 d .
S1 S 0.18246(9) 0.86314(6) 0.13985(5) 0.0319(3) Uani 1 1 d .
S2 S 0.31310(12) 1.10020(7) 0.24238(7) 0.0518(4) Uani 1 1 d .
S3 S 0.35901(10) 0.86288(7) 0.35599(5) 0.0397(3) Uani 1 1 d .
S4 S 0.15964(10) 0.59510(6) 0.14446(5) 0.0356(3) Uani 1 1 d .
S5 S 0.21789(12) 0.35901(7) 0.26331(7) 0.0531(4) Uani 1 1 d .
S6 S 0.33879(10) 0.59982(6) 0.35905(5) 0.0362(3) Uani 1 1 d .
N1 N 0.4394(3) 0.8203(2) 0.17885(18) 0.0378(10) Uani 1 1 d .
N2 N 0.3780(3) 0.7303(2) 0.09702(19) 0.0386(10) Uani 1 1 d .
N3 N 0.1354(3) 0.7478(3) 0.4000(2) 0.0436(11) Uani 1 1 d .
N4 N 0.0934(3) 0.8422(2) 0.31853(19) 0.0416(11) Uani 1 1 d .
N5 N -0.1930(7) 0.6968(6) -0.0772(4) 0.122(3) Uani 1 1 d .
N6 N -0.2257(8) 0.5968(5) -0.0140(5) 0.129(4) Uani 1 1 d .
N7 N 0.2820(5) 0.3943(3) 0.4492(3) 0.0725(18) Uani 1 1 d .
N8 N 0.3300(4) 0.2802(3) 0.3988(2) 0.0517(13) Uani 1 1 d .
C1 C 0.2741(4) 0.8670(2) 0.24673(19) 0.0310(10) Uani 1 1 d .
C2 C 0.2424(4) 0.9050(2) 0.1987(2) 0.0323(10) Uani 1 1 d .
C3 C 0.2539(4) 0.9753(2) 0.1973(2) 0.0351(11) Uani 1 1 d .
H3A H 0.2329 0.9990 0.1650 0.042 Uiso 1 1 calc R
C4 C 0.2960(4) 1.0105(2) 0.2433(2) 0.0372(12) Uani 1 1 d .
C5 C 0.3250(4) 0.9752(3) 0.2918(2) 0.0395(12) Uani 1 1 d .
H5A H 0.3519 0.9988 0.3232 0.047 Uiso 1 1 calc R
C6 C 0.3139(4) 0.9045(2) 0.2935(2) 0.0357(11) Uani 1 1 d .
C7 C 0.2480(3) 0.5917(2) 0.2522(2) 0.0292(10) Uani 1 1 d .
C8 C 0.2071(4) 0.5535(2) 0.2066(2) 0.0325(10) Uani 1 1 d .
C9 C 0.1978(4) 0.4820(2) 0.2099(2) 0.0351(11) Uani 1 1 d .
H9A H 0.1711 0.4572 0.1791 0.042 Uiso 1 1 calc R
C10 C 0.2282(4) 0.4489(2) 0.2584(2) 0.0367(12) Uani 1 1 d .
C11 C 0.2705(4) 0.4851(2) 0.3040(2) 0.0348(11) Uani 1 1 d .
H11A H 0.2919 0.4622 0.3367 0.042 Uiso 1 1 calc R
C12 C 0.2812(3) 0.5556(2) 0.3010(2) 0.0313(10) Uani 1 1 d .
C13 C 0.4713(4) 0.8637(3) 0.2188(3) 0.0470(14) Uani 1 1 d .
H13A H 0.4743 0.8494 0.2546 0.056 Uiso 1 1 calc R
C14 C 0.5007(4) 0.9301(3) 0.2098(3) 0.0536(16) Uani 1 1 d .
H14A H 0.5213 0.9592 0.2390 0.064 Uiso 1 1 calc R
C15 C 0.4989(5) 0.9513(3) 0.1581(3) 0.0579(17) Uani 1 1 d .
H15A H 0.5166 0.9957 0.1516 0.070 Uiso 1 1 calc R
C16 C 0.4705(4) 0.9064(3) 0.1141(3) 0.0484(15) Uani 1 1 d .
C17 C 0.4716(5) 0.9226(4) 0.0590(3) 0.063(2) Uani 1 1 d .
H17A H 0.4924 0.9654 0.0506 0.076 Uiso 1 1 calc R
C18 C 0.4432(5) 0.8777(4) 0.0185(3) 0.0615(19) Uani 1 1 d .
H18A H 0.4452 0.8900 -0.0171 0.074 Uiso 1 1 calc R
C19 C 0.4102(4) 0.8116(3) 0.0289(2) 0.0485(15) Uani 1 1 d .
C20 C 0.3796(5) 0.7622(4) -0.0120(3) 0.0591(19) Uani 1 1 d .
H20A H 0.3785 0.7726 -0.0484 0.071 Uiso 1 1 calc R
C21 C 0.3521(5) 0.6996(4) 0.0019(3) 0.0561(17) Uani 1 1 d .
H21A H 0.3337 0.6664 -0.0246 0.067 Uiso 1 1 calc R
C22 C 0.3517(4) 0.6856(3) 0.0568(2) 0.0482(14) Uani 1 1 d .
H22A H 0.3318 0.6427 0.0656 0.058 Uiso 1 1 calc R
C23 C 0.4087(4) 0.7928(3) 0.0836(2) 0.0386(12) Uani 1 1 d .
C24 C 0.4400(4) 0.8401(3) 0.1268(2) 0.0374(12) Uani 1 1 d .
C25 C 0.1533(5) 0.7015(4) 0.4398(3) 0.0572(17) Uani 1 1 d .
H25A H 0.1743 0.6586 0.4317 0.069 Uiso 1 1 calc R
C26 C 0.1420(5) 0.7140(5) 0.4929(3) 0.070(2) Uani 1 1 d .
H26A H 0.1547 0.6799 0.5193 0.083 Uiso 1 1 calc R
C27 C 0.1123(5) 0.7765(5) 0.5059(3) 0.069(2) Uani 1 1 d .
H27A H 0.1063 0.7861 0.5414 0.082 Uiso 1 1 calc R
C28 C 0.0908(4) 0.8267(4) 0.4648(3) 0.0559(17) Uani 1 1 d .
C29 C 0.0580(6) 0.8927(5) 0.4756(3) 0.077(2) Uani 1 1 d .
H29A H 0.0504 0.9036 0.5106 0.093 Uiso 1 1 calc R
C30 C 0.0380(6) 0.9395(5) 0.4357(4) 0.079(2) Uani 1 1 d .
H30A H 0.0163 0.9822 0.4435 0.095 Uiso 1 1 calc R
C31 C 0.0495(4) 0.9247(3) 0.3810(3) 0.0541(16) Uani 1 1 d .
C32 C 0.0306(5) 0.9724(3) 0.3387(3) 0.0616(19) Uani 1 1 d .
H32A H 0.0108 1.0163 0.3452 0.074 Uiso 1 1 calc R
C33 C 0.0413(5) 0.9543(3) 0.2880(3) 0.0587(17) Uani 1 1 d .
H33A H 0.0286 0.9855 0.2595 0.070 Uiso 1 1 calc R
C34 C 0.0714(4) 0.8886(3) 0.2792(3) 0.0480(14) Uani 1 1 d .
H34A H 0.0765 0.8764 0.2439 0.058 Uiso 1 1 calc R
C35 C 0.0818(4) 0.8594(3) 0.3696(2) 0.0435(13) Uani 1 1 d .
C36 C 0.1036(4) 0.8100(3) 0.4124(2) 0.0472(14) Uani 1 1 d .
C37 C -0.1735(11) 0.7470(8) -0.1098(6) 0.147(6) Uani 1 1 d .
H37A H -0.1923 0.7421 -0.1473 0.177 Uiso 1 1 calc R
C38 C -0.1268(8) 0.8052(7) -0.0897(6) 0.114(4) Uani 1 1 d .
H38A H -0.1128 0.8376 -0.1141 0.137 Uiso 1 1 calc R
C39 C -0.1006(7) 0.8168(7) -0.0359(6) 0.119(4) Uani 1 1 d .
H39A H -0.0720 0.8573 -0.0222 0.143 Uiso 1 1 calc R
C40 C -0.1197(6) 0.7621(6) -0.0005(4) 0.085(3) Uani 1 1 d .
C41 C -0.0938(8) 0.7708(9) 0.0546(8) 0.163(7) Uani 1 1 d .
H41A H -0.0618 0.8097 0.0692 0.196 Uiso 1 1 calc R
C42 C -0.1187(9) 0.7153(8) 0.0909(5) 0.116(4) Uani 1 1 d .
H42A H -0.1075 0.7206 0.1286 0.139 Uiso 1 1 calc R
C43 C -0.1583(7) 0.6571(8) 0.0669(6) 0.115(4) Uani 1 1 d .
C44 C -0.1776(9) 0.6047(8) 0.1022(8) 0.151(7) Uani 1 1 d .
H44A H -0.1599 0.6084 0.1399 0.181 Uiso 1 1 calc R
C45 C -0.2210(11) 0.5511(10) 0.0795(8) 0.159(7) Uani 1 1 d .
H45A H -0.2365 0.5161 0.1012 0.191 Uiso 1 1 calc R
C46 C -0.2458(10) 0.5453(7) 0.0206(8) 0.155(6) Uani 1 1 d .
H46A H -0.2760 0.5061 0.0054 0.186 Uiso 1 1 calc R
C47 C -0.1839(7) 0.6488(6) 0.0132(5) 0.092(3) Uani 1 1 d .
C48 C -0.1638(7) 0.7057(6) -0.0221(5) 0.099(3) Uani 1 1 d .
C49 C 0.2627(7) 0.4495(5) 0.4752(5) 0.101(3) Uani 1 1 d .
H49A H 0.2328 0.4857 0.4550 0.121 Uiso 1 1 calc R
C50 C 0.2856(10) 0.4557(7) 0.5326(6) 0.129(6) Uani 1 1 d .
H50A H 0.2715 0.4958 0.5492 0.155 Uiso 1 1 calc R
C51 C 0.3278(10) 0.4039(8) 0.5634(5) 0.130(6) Uani 1 1 d .
H51A H 0.3425 0.4079 0.6011 0.156 Uiso 1 1 calc R
C52 C 0.3492(6) 0.3446(6) 0.5383(4) 0.084(3) Uani 1 1 d .
C53 C 0.3928(7) 0.2873(8) 0.5669(4) 0.105(4) Uani 1 1 d .
H53A H 0.4077 0.2885 0.6048 0.126 Uiso 1 1 calc R
C54 C 0.4130(7) 0.2314(7) 0.5407(4) 0.103(4) Uani 1 1 d .
H54A H 0.4413 0.1945 0.5608 0.124 Uiso 1 1 calc R
C55 C 0.3927(5) 0.2270(4) 0.4836(3) 0.067(2) Uani 1 1 d .
C56 C 0.4152(5) 0.1701(4) 0.4532(4) 0.078(3) Uani 1 1 d .
H56A H 0.4438 0.1321 0.4714 0.093 Uiso 1 1 calc R
C57 C 0.3955(6) 0.1709(4) 0.3986(4) 0.077(2) Uani 1 1 d .
H57A H 0.4112 0.1340 0.3789 0.092 Uiso 1 1 calc R
C58 C 0.3520(5) 0.2268(4) 0.3723(3) 0.0637(19) Uani 1 1 d .
H58A H 0.3376 0.2270 0.3344 0.076 Uiso 1 1 calc R
C59 C 0.3480(4) 0.2834(3) 0.4541(3) 0.0514(15) Uani 1 1 d .
C60 C 0.3244(5) 0.3433(4) 0.4808(3) 0.0624(19) Uani 1 1 d .
O1 O 0.2655(2) 0.79938(16) 0.24781(13) 0.0306(7) Uani 1 1 d .
O2 O 0.2351(3) 0.80124(17) 0.13379(14) 0.0351(8) Uani 1 1 d .
O3 O 0.1786(3) 0.91007(19) 0.09523(15) 0.0478(10) Uani 1 1 d .
O4 O 0.0919(3) 0.8455(2) 0.15021(16) 0.0449(9) Uani 1 1 d .
O5 O 0.4048(4) 1.1120(3) 0.2691(4) 0.141(4) Uani 1 1 d .
O6 O 0.2499(5) 1.1279(3) 0.2752(3) 0.0939(19) Uani 1 1 d .
O7 O 0.2870(5) 1.1224(3) 0.1881(2) 0.101(2) Uani 1 1 d .
O8 O 0.2945(3) 0.80832(19) 0.36163(15) 0.0436(9) Uani 1 1 d .
O9 O 0.3625(4) 0.9130(2) 0.39795(16) 0.0736(16) Uani 1 1 d .
O10 O 0.4482(3) 0.8358(3) 0.35117(19) 0.0688(14) Uani 1 1 d .
O11 O 0.2559(2) 0.65985(16) 0.25046(12) 0.0285(7) Uani 1 1 d .
O12 O 0.2275(3) 0.64732(19) 0.13642(14) 0.0408(9) Uani 1 1 d .
O13 O 0.1483(3) 0.5438(2) 0.10264(16) 0.0535(11) Uani 1 1 d .
O14 O 0.0741(3) 0.6264(2) 0.15179(18) 0.0512(10) Uani 1 1 d .
O15 O 0.3067(5) 0.3313(3) 0.2603(4) 0.146(4) Uani 1 1 d .
O16 O 0.1986(6) 0.3453(3) 0.3162(2) 0.106(2) Uani 1 1 d .
O17 O 0.1463(4) 0.3376(2) 0.2198(2) 0.0741(15) Uani 1 1 d .
O18 O 0.2768(3) 0.65715(19) 0.36550(15) 0.0464(10) Uani 1 1 d .
O19 O 0.3487(4) 0.5528(2) 0.40364(16) 0.0582(12) Uani 1 1 d .
O20 O 0.4251(3) 0.6242(2) 0.34793(18) 0.0540(11) Uani 1 1 d .
O1W O 0.4178(3) 0.6165(2) 0.18715(19) 0.0576(11) Uani 1 1 d .
O2W O 0.4521(3) 0.7168(2) 0.27095(18) 0.0567(12) Uani 1 1 d .
O3W O 0.0748(3) 0.6463(2) 0.30471(18) 0.0554(11) Uani 1 1 d .
O4W O 0.0781(3) 0.7394(2) 0.22058(17) 0.0459(9) Uani 1 1 d .
O5W O 0.4998(6) 1.0029(4) 0.4455(3) 0.135(3) Uani 1 1 d .
O6W O 0.3597(6) 0.5116(3) 0.1155(3) 0.122(3) Uani 1 1 d .
O7W O -0.0927(4) 0.6958(3) 0.2740(4) 0.128(3) Uani 1 1 d .
O8W O 0.3575(6) 0.3747(4) 0.1501(3) 0.136(3) Uani 1 1 d .
O9W O 0.0690(7) 0.4225(6) 0.3580(5) 0.187(5) Uani 1 1 d .
O10W O 0.3720(9) 0.2544(6) 0.2005(5) 0.208(5) Uani 1 1 d .
O11W O 0.0841(10) 0.5455(6) 0.3780(5) 0.237(6) Uani 1 1 d .
O12W O -0.0299(13) 0.9969(12) -0.0567(7) 0.184(10) Uani 0.50 1 d P
O13W O -0.0478(16) 1.0577(9) -0.0011(10) 0.201(11) Uani 0.50 1 d P
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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
O12 Eu1 O11 73.15(12) . .
O12 Eu1 O2 79.02(13) . .
O11 Eu1 O2 113.38(12) . .
O12 Eu1 O2W 139.07(14) . .
O11 Eu1 O2W 79.31(13) . .
O2 Eu1 O2W 140.76(13) . .
O12 Eu1 O1W 75.59(15) . .
O11 Eu1 O1W 84.93(13) . .
O2 Eu1 O1W 142.56(14) . .
O2W Eu1 O1W 72.30(16) . .
O12 Eu1 O1 115.17(13) . .
O11 Eu1 O1 69.04(11) . .
O2 Eu1 O1 70.77(11) . .
O2W Eu1 O1 80.98(14) . .
O1W Eu1 O1 145.71(13) . .
O12 Eu1 N1 139.32(13) . .
O11 Eu1 N1 146.68(12) . .
O2 Eu1 N1 75.54(14) . .
O2W Eu1 N1 75.61(14) . .
O1W Eu1 N1 107.53(15) . .
O1 Eu1 N1 85.52(12) . .
O12 Eu1 N2 77.44(14) . .
O11 Eu1 N2 148.95(13) . .
O2 Eu1 N2 69.60(13) . .
O2W Eu1 N2 119.01(16) . .
O1W Eu1 N2 78.29(15) . .
O1 Eu1 N2 134.73(12) . .
N1 Eu1 N2 64.18(14) . .
O12 Eu1 Eu2 94.09(9) . .
O11 Eu1 Eu2 34.09(7) . .
O2 Eu1 Eu2 92.28(8) . .
O2W Eu1 Eu2 78.45(12) . .
O1W Eu1 Eu2 116.40(11) . .
O1 Eu1 Eu2 34.96(7) . .
N1 Eu1 Eu2 117.95(10) . .
N2 Eu1 Eu2 161.04(11) . .
O18 Eu2 O8 78.42(14) . .
O18 Eu2 O3W 81.50(16) . .
O8 Eu2 O3W 147.19(14) . .
O18 Eu2 O11 73.48(12) . .
O8 Eu2 O11 113.15(13) . .
O3W Eu2 O11 85.17(13) . .
O18 Eu2 O1 116.04(13) . .
O8 Eu2 O1 71.68(12) . .
O3W Eu2 O1 141.02(13) . .
O11 Eu2 O1 68.98(11) . .
O18 Eu2 O4W 140.92(13) . .
O8 Eu2 O4W 137.89(13) . .
O3W Eu2 O4W 70.74(14) . .
O11 Eu2 O4W 77.18(12) . .
O1 Eu2 O4W 75.26(13) . .
O18 Eu2 N4 136.03(14) . .
O8 Eu2 N4 75.85(15) . .
O3W Eu2 N4 102.19(16) . .
O11 Eu2 N4 150.04(13) . .
O1 Eu2 N4 88.63(13) . .
O4W Eu2 N4 78.02(14) . .
O18 Eu2 N3 74.73(14) . .
O8 Eu2 N3 73.07(14) . .
O3W Eu2 N3 76.76(16) . .
O11 Eu2 N3 145.31(13) . .
O1 Eu2 N3 139.61(13) . .
O4W Eu2 N3 122.41(15) . .
N4 Eu2 N3 63.98(15) . .
O18 Eu2 Eu1 95.18(10) . .
O8 Eu2 Eu1 93.63(9) . .
O3W Eu2 Eu1 113.90(11) . .
O11 Eu2 Eu1 33.64(7) . .
O1 Eu2 Eu1 35.35(8) . .
O4W Eu2 Eu1 72.79(10) . .
N4 Eu2 Eu1 121.33(11) . .
N3 Eu2 Eu1 164.51(11) . .
O3 S1 O4 113.1(3) . .
O3 S1 O2 112.8(2) . .
O4 S1 O2 110.5(2) . .
O3 S1 C2 106.8(2) . .
O4 S1 C2 106.8(2) . .
O2 S1 C2 106.3(2) . .
O7 S2 O5 117.6(5) . .
O7 S2 O6 110.1(4) . .
O5 S2 O6 109.5(5) . .
O7 S2 C4 107.8(3) . .
O5 S2 C4 106.4(3) . .
O6 S2 C4 104.5(3) . .
O9 S3 O10 114.2(4) . .
O9 S3 O8 111.1(3) . .
O10 S3 O8 111.4(3) . .
O9 S3 C6 106.6(3) . .
O10 S3 C6 106.6(3) . .
O8 S3 C6 106.4(2) . .
O13 S4 O14 114.1(3) . .
O13 S4 O12 111.7(2) . .
O14 S4 O12 111.1(2) . .
O13 S4 C8 106.8(2) . .
O14 S4 C8 106.7(2) . .
O12 S4 C8 106.0(2) . .
O17 S5 O16 113.5(4) . .
O17 S5 O15 113.5(4) . .
O16 S5 O15 109.1(5) . .
O17 S5 C10 107.5(3) . .
O16 S5 C10 106.5(3) . .
O15 S5 C10 106.2(3) . .
O19 S6 O20 113.9(3) . .
O19 S6 O18 111.9(3) . .
O20 S6 O18 111.3(3) . .
O19 S6 C12 106.7(2) . .
O20 S6 C12 107.8(2) . .
O18 S6 C12 104.7(2) . .
C13 N1 C24 118.2(5) . .
C13 N1 Eu1 122.5(4) . .
C24 N1 Eu1 116.3(3) . .
C22 N2 C23 117.5(5) . .
C22 N2 Eu1 123.5(4) . .
C23 N2 Eu1 116.6(3) . .
C25 N3 C36 117.6(5) . .
C25 N3 Eu2 123.5(4) . .
C36 N3 Eu2 117.8(4) . .
C34 N4 C35 118.0(5) . .
C34 N4 Eu2 122.4(4) . .
C35 N4 Eu2 118.4(4) . .
C37 N5 C48 117.1(12) . .
C47 N6 C46 112.0(13) . .
C49 N7 C60 115.9(8) . .
C58 N8 C59 122.2(6) . .
O1 C1 C6 121.8(4) . .
O1 C1 C2 121.6(4) . .
C6 C1 C2 116.6(4) . .
C3 C2 C1 121.4(5) . .
C3 C2 S1 118.9(4) . .
C1 C2 S1 119.7(4) . .
C4 C3 C2 120.8(5) . .
C4 C3 H3A 119.6 . .
C2 C3 H3A 119.6 . .
C3 C4 C5 119.5(5) . .
C3 C4 S2 121.7(4) . .
C5 C4 S2 118.8(4) . .
C4 C5 C6 120.2(5) . .
C4 C5 H5A 119.9 . .
C6 C5 H5A 119.9 . .
C5 C6 C1 121.5(5) . .
C5 C6 S3 117.2(4) . .
C1 C6 S3 121.2(4) . .
O11 C7 C8 122.1(4) . .
O11 C7 C12 120.5(4) . .
C8 C7 C12 117.4(4) . .
C7 C8 C9 120.9(5) . .
C7 C8 S4 120.2(4) . .
C9 C8 S4 118.7(4) . .
C10 C9 C8 120.1(5) . .
C10 C9 H9A 119.9 . .
C8 C9 H9A 119.9 . .
C9 C10 C11 120.4(5) . .
C9 C10 S5 120.8(4) . .
C11 C10 S5 118.8(4) . .
C10 C11 C12 119.9(5) . .
C10 C11 H11A 120.0 . .
C12 C11 H11A 120.0 . .
C11 C12 C7 121.2(5) . .
C11 C12 S6 118.9(4) . .
C7 C12 S6 119.9(3) . .
N1 C13 C14 123.2(6) . .
N1 C13 H13A 118.4 . .
C14 C13 H13A 118.4 . .
C15 C14 C13 119.3(6) . .
C15 C14 H14A 120.4 . .
C13 C14 H14A 120.4 . .
C14 C15 C16 120.2(6) . .
C14 C15 H15A 119.9 . .
C16 C15 H15A 119.9 . .
C15 C16 C17 124.3(6) . .
C15 C16 C24 116.8(6) . .
C17 C16 C24 118.9(6) . .
C18 C17 C16 121.7(6) . .
C18 C17 H17A 119.1 . .
C16 C17 H17A 119.1 . .
C17 C18 C19 121.5(6) . .
C17 C18 H18A 119.3 . .
C19 C18 H18A 119.3 . .
C20 C19 C23 117.2(6) . .
C20 C19 C18 123.9(6) . .
C23 C19 C18 118.9(6) . .
C21 C20 C19 119.9(6) . .
C21 C20 H20A 120.1 . .
C19 C20 H20A 120.1 . .
C20 C21 C22 119.2(6) . .
C20 C21 H21A 120.4 . .
C22 C21 H21A 120.4 . .
N2 C22 C21 123.7(6) . .
N2 C22 H22A 118.2 . .
C21 C22 H22A 118.2 . .
N2 C23 C19 122.5(6) . .
N2 C23 C24 117.7(5) . .
C19 C23 C24 119.8(5) . .
N1 C24 C23 118.7(5) . .
N1 C24 C16 122.2(5) . .
C23 C24 C16 119.2(5) . .
N3 C25 C26 123.4(7) . .
N3 C25 H25A 118.3 . .
C26 C25 H25A 118.3 . .
C27 C26 C25 119.4(7) . .
C27 C26 H26A 120.3 . .
C25 C26 H26A 120.3 . .
C26 C27 C28 119.2(6) . .
C26 C27 H27A 120.4 . .
C28 C27 H27A 120.4 . .
C36 C28 C27 117.9(7) . .
C36 C28 C29 120.2(7) . .
C27 C28 C29 121.9(6) . .
C30 C29 C28 120.6(7) . .
C30 C29 H29A 119.7 . .
C28 C29 H29A 119.7 . .
C29 C30 C31 121.3(7) . .
C29 C30 H30A 119.3 . .
C31 C30 H30A 119.3 . .
C32 C31 C35 118.3(6) . .
C32 C31 C30 122.9(6) . .
C35 C31 C30 118.8(7) . .
C33 C32 C31 119.5(6) . .
C33 C32 H32A 120.3 . .
C31 C32 H32A 120.3 . .
C32 C33 C34 119.4(7) . .
C32 C33 H33A 120.3 . .
C34 C33 H33A 120.3 . .
N4 C34 C33 123.3(6) . .
N4 C34 H34A 118.3 . .
C33 C34 H34A 118.3 . .
N4 C35 C31 121.5(6) . .
N4 C35 C36 118.9(5) . .
C31 C35 C36 119.6(5) . .
N3 C36 C28 122.5(6) . .
N3 C36 C35 118.0(5) . .
C28 C36 C35 119.5(6) . .
N5 C37 C38 122.4(14) . .
N5 C37 H37A 118.8 . .
C38 C37 H37A 118.8 . .
C39 C38 C37 121.9(13) . .
C39 C38 H38A 119.0 . .
C37 C38 H38A 119.0 . .
C38 C39 C40 115.8(13) . .
C38 C39 H39A 122.1 . .
C40 C39 H39A 122.1 . .
C48 C40 C41 121.9(13) . .
C48 C40 C39 119.8(11) . .
C41 C40 C39 118.3(14) . .
C40 C41 C42 117.7(12) . .
C40 C41 H41A 121.2 . .
C42 C41 H41A 121.2 . .
C43 C42 C41 118.0(13) . .
C43 C42 H42A 121.0 . .
C41 C42 H42A 121.0 . .
C47 C43 C42 124.0(15) . .
C47 C43 C44 119.3(15) . .
C42 C43 C44 116.6(16) . .
C45 C44 C43 117(2) . .
C45 C44 H44A 121.6 . .
C43 C44 H44A 121.6 . .
C44 C45 C46 120.8(18) . .
C44 C45 H45A 119.6 . .
C46 C45 H45A 119.6 . .
N6 C46 C45 122.0(16) . .
N6 C46 H46A 119.0 . .
C45 C46 H46A 119.0 . .
N6 C47 C43 129.1(13) . .
N6 C47 C48 113.8(11) . .
C43 C47 C48 117.2(12) . .
C40 C48 N5 122.8(11) . .
C40 C48 C47 121.0(12) . .
N5 C48 C47 116.2(11) . .
N7 C49 C50 122.6(12) . .
N7 C49 H49A 118.7 . .
C50 C49 H49A 118.7 . .
C51 C50 C49 120.4(12) . .
C51 C50 H50A 119.8 . .
C49 C50 H50A 119.8 . .
C50 C51 C52 119.4(12) . .
C50 C51 H51A 120.3 . .
C52 C51 H51A 120.3 . .
C51 C52 C60 116.1(11) . .
C51 C52 C53 123.6(11) . .
C60 C52 C53 120.2(9) . .
C54 C53 C52 121.4(9) . .
C54 C53 H53A 119.3 . .
C52 C53 H53A 119.3 . .
C53 C54 C55 121.7(10) . .
C53 C54 H54A 119.2 . .
C55 C54 H54A 119.2 . .
C54 C55 C59 117.9(9) . .
C54 C55 C56 124.5(9) . .
C59 C55 C56 117.6(7) . .
C57 C56 C55 120.7(7) . .
C57 C56 H56A 119.7 . .
C55 C56 H56A 119.7 . .
C56 C57 C58 119.1(8) . .
C56 C57 H57A 120.5 . .
C58 C57 H57A 120.5 . .
N8 C58 C57 122.2(8) . .
N8 C58 H58A 118.9 . .
C57 C58 H58A 118.9 . .
N8 C59 C55 118.2(7) . .
N8 C59 C60 120.0(6) . .
C55 C59 C60 121.8(7) . .
N7 C60 C52 125.6(8) . .
N7 C60 C59 117.4(6) . .
C52 C60 C59 117.0(8) . .
C1 O1 Eu2 126.2(3) . .
C1 O1 Eu1 124.1(3) . .
Eu2 O1 Eu1 109.69(12) . .
S1 O2 Eu1 138.7(2) . .
S1 O4 O4W 118.6(2) . .
S3 O8 Eu2 140.2(2) . .
S3 O9 O5W 131.9(4) . .
C7 O11 Eu1 125.2(3) . .
C7 O11 Eu2 122.5(3) . .
Eu1 O11 Eu2 112.27(12) . .
S4 O12 Eu1 137.8(2) . .
S4 O14 O4W 120.0(2) . .
S5 O16 O9W 121.4(5) . .
S6 O18 Eu2 135.7(2) . .
S6 O20 O2W 127.9(3) . .
Eu1 O1W O5 119.9(2) . 2_645
Eu1 O1W O6W 123.7(2) . .
O5 O1W O6W 113.8(3) 2_645 .
Eu1 O2W O10W 137.1(4) . 2_655
Eu1 O2W O20 115.38(18) . .
O10W O2W O20 105.4(3) 2_655 .
Eu2 O3W O7W 110.5(2) . .
Eu2 O3W O11W 125.0(4) . .
O7W O3W O11W 112.9(4) . .
Eu2 O3W O4W 55.41(12) . .
O7W O3W O4W 72.3(2) . .
O11W O3W O4W 172.2(4) . .
Eu2 O4W O4 118.58(18) . .
Eu2 O4W O3W 53.85(12) . .
O4 O4W O3W 171.1(2) . .
Eu2 O4W O14 116.77(17) . .
O4 O4W O14 101.31(18) . .
O3W O4W O14 87.04(17) . .
O5W O5W O9 105.1(4) 3_676 .
O3W O7W O6 128.2(3) . 2_545
O4 O9W O16 108.6(4) 2_545 .
O3W O11W O12W 133.4(8) . 4_576
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 O12 2.341(4) .
Eu1 O11 2.379(3) .
Eu1 O2 2.393(4) .
Eu1 O2W 2.409(4) .
Eu1 O1W 2.411(4) .
Eu1 O1 2.442(3) .
Eu1 N1 2.554(4) .
Eu1 N2 2.560(4) .
Eu1 Eu2 3.9740(7) .
Eu2 O18 2.332(4) .
Eu2 O8 2.365(4) .
Eu2 O3W 2.387(4) .
Eu2 O11 2.407(3) .
Eu2 O1 2.419(3) .
Eu2 O4W 2.434(4) .
Eu2 N4 2.558(4) .
Eu2 N3 2.593(5) .
S1 O3 1.438(4) .
S1 O4 1.455(4) .
S1 O2 1.462(4) .
S1 C2 1.763(5) .
S2 O7 1.407(5) .
S2 O5 1.408(6) .
S2 O6 1.464(6) .
S2 C4 1.772(5) .
S3 O9 1.430(4) .
S3 O10 1.448(5) .
S3 O8 1.457(4) .
S3 C6 1.772(5) .
S4 O13 1.435(4) .
S4 O14 1.449(4) .
S4 O12 1.473(4) .
S4 C8 1.773(5) .
S5 O17 1.424(5) .
S5 O16 1.433(6) .
S5 O15 1.436(6) .
S5 C10 1.770(5) .
S6 O19 1.432(4) .
S6 O20 1.439(4) .
S6 O18 1.477(4) .
S6 C12 1.760(5) .
N1 C13 1.325(7) .
N1 C24 1.361(7) .
N2 C22 1.332(7) .
N2 C23 1.369(7) .
N3 C25 1.333(8) .
N3 C36 1.360(8) .
N4 C34 1.331(7) .
N4 C35 1.364(7) .
N5 C37 1.342(15) .
N5 C48 1.373(14) .
N6 C47 1.307(13) .
N6 C46 1.397(17) .
N7 C49 1.319(10) .
N7 C60 1.349(10) .
N8 C58 1.310(9) .
N8 C59 1.358(8) .
C1 O1 1.328(6) .
C1 C6 1.409(7) .
C1 C2 1.413(7) .
C2 C3 1.386(7) .
C3 C4 1.379(7) .
C3 H3A 0.9300 .
C4 C5 1.389(7) .
C5 C6 1.393(7) .
C5 H5A 0.9300 .
C7 O11 1.339(5) .
C7 C8 1.398(7) .
C7 C12 1.412(7) .
C8 C9 1.408(7) .
C9 C10 1.371(7) .
C9 H9A 0.9300 .
C10 C11 1.383(7) .
C11 C12 1.391(6) .
C11 H11A 0.9300 .
C13 C14 1.401(8) .
C13 H13A 0.9300 .
C14 C15 1.356(9) .
C14 H14A 0.9300 .
C15 C16 1.405(9) .
C15 H15A 0.9300 .
C16 C17 1.418(9) .
C16 C24 1.430(7) .
C17 C18 1.344(11) .
C17 H17A 0.9300 .
C18 C19 1.422(9) .
C18 H18A 0.9300 .
C19 C20 1.417(10) .
C19 C23 1.420(7) .
C20 C21 1.355(10) .
C20 H20A 0.9300 .
C21 C22 1.402(8) .
C21 H21A 0.9300 .
C22 H22A 0.9300 .
C23 C24 1.429(8) .
C25 C26 1.395(9) .
C25 H25A 0.9300 .
C26 C27 1.358(11) .
C26 H26A 0.9300 .
C27 C28 1.411(11) .
C27 H27A 0.9300 .
C28 C36 1.403(8) .
C28 C29 1.423(11) .
C29 C30 1.343(12) .
C29 H29A 0.9300 .
C30 C31 1.441(10) .
C30 H30A 0.9300 .
C31 C32 1.399(10) .
C31 C35 1.413(8) .
C32 C33 1.355(10) .
C32 H32A 0.9300 .
C33 C34 1.392(8) .
C33 H33A 0.9300 .
C34 H34A 0.9300 .
C35 C36 1.430(9) .
C37 C38 1.374(17) .
C37 H37A 0.9300 .
C38 C39 1.347(16) .
C38 H38A 0.9300 .
C39 C40 1.451(15) .
C39 H39A 0.9300 .
C40 C48 1.339(14) .
C40 C41 1.368(17) .
C41 C42 1.51(2) .
C41 H41A 0.9300 .
C42 C43 1.364(17) .
C42 H42A 0.9300 .
C43 C47 1.332(15) .
C43 C44 1.419(18) .
C44 C45 1.30(2) .
C44 H44A 0.9300 .
C45 C46 1.45(2) .
C45 H45A 0.9300 .
C46 H46A 0.9300 .
C47 C48 1.487(15) .
C49 C50 1.416(17) .
C49 H49A 0.9300 .
C50 C51 1.349(18) .
C50 H50A 0.9300 .
C51 C52 1.385(16) .
C51 H51A 0.9300 .
C52 C60 1.411(11) .
C52 C53 1.414(15) .
C53 C54 1.339(15) .
C53 H53A 0.9300 .
C54 C55 1.404(13) .
C54 H54A 0.9300 .
C55 C59 1.416(10) .
C55 C56 1.423(12) .
C56 C57 1.339(12) .
C56 H56A 0.9300 .
C57 C58 1.369(10) .
C57 H57A 0.9300 .
C58 H58A 0.9300 .
C59 C60 1.427(10) .
O4 O4W 2.755(6) .
O9 O5W 2.769(9) .
O14 O4W 2.794(6) .
O16 O9W 2.799(12) .
O20 O2W 2.731(6) .
O1W O5 2.636(8) 2_645
O1W O6W 2.746(8) .
O2W O10W 2.661(14) 2_655
O3W O7W 2.628(8) .
O3W O11W 2.677(9) .
O3W O4W 2.791(6) .
O5W O5W 2.730(16) 3_676
O7W O6 2.749(10) 2_545
O8W O10W 2.657(14) .
O9W O4 2.788(9) 2_545
O11W O12W 2.699(19) 4_576
O12W O12W 2.80(4) 3_575
O13W O13W 2.66(4) 3_575
