#------------------------------------------------------------------------------
#$Date: 2016-03-26 00:51:26 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180099 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/45/7054543.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_7054543
loop_
_publ_author_name
'Das, Kuheli'
'Nandi, Soumendra'
'Mondal, Sudipa'
'Askun, Tulin'
'Cantürk, Zerrin'
'Celikboyun, Pinar'
'Massera, Chiara'
'Garribba, Eugenio'
'Datta, Amitabha'
'Sinha, Chittaranjan'
'Akitsu, Takashiro'
_publ_section_title
;
 Triply phenoxo bridged Eu(iii) and Sm(iii) complexes with
 2,6-diformyl-4-methylphenol-di(benzoylhydrazone): structure, spectra and
 biological study in human cell lines
;
_journal_issue                   2
_journal_name_full               'New J. Chem.'
_journal_page_first              1101
_journal_paper_doi               10.1039/C4NJ01464B
_journal_volume                  39
_journal_year                    2015
_chemical_formula_moiety         '(C69 H51 Eu2 N12 O9),8(H2O)'
_chemical_formula_sum            'C69 H59.33 Eu2 N12 O11.67'
_chemical_formula_weight         1547.20
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 123.5420(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            12
_cell_length_a                   46.333(3)
_cell_length_b                   17.2990(10)
_cell_length_c                   32.343(2)
_cell_measurement_reflns_used    5820
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      26.41
_cell_measurement_theta_min      1.28
_cell_volume                     21607(2)
_computing_cell_refinement       'APEX-II (2008)'
_computing_data_collection       'APEX-II (2008)'
_computing_data_reduction        'SAINT (2008)'
_computing_molecular_graphics    'Mercury CSD 3.3.1'
_computing_publication_material
'PARST M. Nardelli, J.Appl.Crystallogr.1995,28,659'
_computing_structure_refinement
'SHELXL-97 G.M.Sheldrick,ActaCrystA,2008,A64,112-122'
_computing_structure_solution    'SIR97 (Giacovazzo and co., 1999)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD area-detector'
_diffrn_measurement_method       omega-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0949
_diffrn_reflns_av_unetI/netI     0.0649
_diffrn_reflns_limit_h_max       57
_diffrn_reflns_limit_h_min       -57
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            129889
_diffrn_reflns_theta_full        26.41
_diffrn_reflns_theta_max         26.41
_diffrn_reflns_theta_min         1.28
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.791
_exptl_absorpt_correction_T_max  0.7463
_exptl_absorpt_correction_T_min  0.6148
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker Apex-II SADABS'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.427
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             9320
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.333
_refine_diff_density_min         -0.937
_refine_diff_density_rms         0.128
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1257
_refine_ls_number_reflns         22113
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.0977
_refine_ls_R_factor_gt           0.0525
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0840P)²+44.1510P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1378
_refine_ls_wR_factor_ref         0.1633
_reflns_number_gt                13946
_reflns_number_total             22113
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4nj01464b2.cif
_cod_data_source_block           kd22
_cod_depositor_comments          'Adding full bibliography for 7054543.cif.'
_cod_original_cell_volume        21606(2)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7054543
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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 0.224542(9) 0.089380(17) 0.643626(13) 0.03765(10) Uani 1 1 d .
Eu2 Eu 0.181376(9) 0.086500(17) 0.708021(12) 0.03718(10) Uani 1 1 d .
Eu3 Eu 0.036349(10) -0.31455(2) 0.744722(15) 0.04862(11) Uani 1 1 d .
N1A N 0.23898(15) -0.0626(3) 0.6605(2) 0.0414(13) Uani 1 1 d .
N2A N 0.27424(15) -0.0818(3) 0.6892(2) 0.0427(13) Uani 1 1 d .
N3A N 0.11903(15) 0.0696(3) 0.6238(2) 0.0456(14) Uani 1 1 d .
N4A N 0.09313(16) 0.1174(3) 0.6200(2) 0.0507(15) Uani 1 1 d .
O1A O 0.18277(12) 0.0107(2) 0.64746(17) 0.0407(11) Uani 1 1 d .
O2A O 0.28487(12) 0.0460(2) 0.68721(18) 0.0446(11) Uani 1 1 d .
O3A O 0.13010(13) 0.1436(3) 0.70179(18) 0.0467(11) Uani 1 1 d .
C1A C 0.16428(18) -0.0452(3) 0.6171(3) 0.0414(16) Uani 1 1 d .
C2A C 0.18096(18) -0.1115(4) 0.6139(3) 0.0436(16) Uani 1 1 d .
C3A C 0.1610(2) -0.1714(4) 0.5808(3) 0.061(2) Uani 1 1 d .
H3A H 0.1722 -0.2157 0.5803 0.074 Uiso 1 1 calc R
C4A C 0.1254(2) -0.1667(4) 0.5489(3) 0.063(2) Uani 1 1 d .
C5A C 0.1092(2) -0.1014(4) 0.5526(3) 0.057(2) Uani 1 1 d .
H5A H 0.0852 -0.0976 0.5320 0.068 Uiso 1 1 calc R
C6A C 0.12770(19) -0.0416(4) 0.5862(3) 0.0473(17) Uani 1 1 d .
C7A C 0.1044(3) -0.2297(5) 0.5104(4) 0.099(4) Uani 1 1 d .
H7A1 H 0.0803 -0.2162 0.4918 0.149 Uiso 1 1 calc R
H7A2 H 0.1077 -0.2781 0.5270 0.149 Uiso 1 1 calc R
H7A3 H 0.1120 -0.2342 0.4883 0.149 Uiso 1 1 calc R
C8A C 0.21802(18) -0.1204(4) 0.6441(3) 0.0447(17) Uani 1 1 d .
H8A H 0.2272 -0.1701 0.6522 0.054 Uiso 1 1 calc R
C9A C 0.29599(18) -0.0213(3) 0.7013(3) 0.0399(15) Uani 1 1 d .
C10A C 0.33338(18) -0.0381(4) 0.7334(3) 0.0399(15) Uani 1 1 d .
C11A C 0.3476(2) -0.1070(4) 0.7321(3) 0.056(2) Uani 1 1 d .
H11A H 0.3334 -0.1453 0.7099 0.067 Uiso 1 1 calc R
C12A C 0.3822(2) -0.1199(5) 0.7628(4) 0.075(3) Uani 1 1 d .
H12A H 0.3914 -0.1665 0.7609 0.090 Uiso 1 1 calc R
C13A C 0.4033(3) -0.0660(6) 0.7960(4) 0.088(3) Uani 1 1 d .
H13A H 0.4269 -0.0756 0.8174 0.106 Uiso 1 1 calc R
C14A C 0.3900(2) 0.0014(6) 0.7977(4) 0.087(3) Uani 1 1 d .
H14A H 0.4045 0.0388 0.8204 0.105 Uiso 1 1 calc R
C15A C 0.3550(2) 0.0168(5) 0.7666(3) 0.067(2) Uani 1 1 d .
H15A H 0.3462 0.0643 0.7681 0.081 Uiso 1 1 calc R
C16A C 0.10754(19) 0.0187(4) 0.5889(3) 0.0485(17) Uani 1 1 d .
H16A H 0.0842 0.0213 0.5634 0.058 Uiso 1 1 calc R
C17A C 0.1017(2) 0.1508(4) 0.6629(3) 0.0447(16) Uani 1 1 d .
C18A C 0.0734(2) 0.1963(4) 0.6602(3) 0.055(2) Uani 1 1 d .
C19A C 0.0502(3) 0.2395(7) 0.6200(4) 0.107(4) Uani 1 1 d .
H19A H 0.0516 0.2412 0.5923 0.128 Uiso 1 1 calc R
C20A C 0.0248(3) 0.2809(7) 0.6203(5) 0.118(4) Uani 1 1 d .
H20A H 0.0099 0.3126 0.5936 0.141 Uiso 1 1 calc R
C21A C 0.0214(3) 0.2755(7) 0.6583(5) 0.101(4) Uani 1 1 d .
H21A H 0.0030 0.3001 0.6567 0.121 Uiso 1 1 calc R
C22A C 0.0445(3) 0.2347(6) 0.6996(5) 0.099(4) Uani 1 1 d .
H22A H 0.0428 0.2329 0.7269 0.119 Uiso 1 1 calc R
C23A C 0.0708(3) 0.1958(5) 0.6998(4) 0.075(3) Uani 1 1 d .
H23A H 0.0872 0.1686 0.7281 0.090 Uiso 1 1 calc R
N1B N 0.19001(14) 0.2347(3) 0.7296(2) 0.0372(12) Uani 1 1 d .
N2B N 0.20946(15) 0.2541(3) 0.7805(2) 0.0409(13) Uani 1 1 d .
N3B N 0.16599(16) 0.1041(3) 0.5575(2) 0.0459(14) Uani 1 1 d .
N4B N 0.16170(17) 0.0531(3) 0.5209(2) 0.0518(15) Uani 1 1 d .
O1B O 0.18436(11) 0.1662(2) 0.64886(16) 0.0378(10) Uani 1 1 d .
O2B O 0.20968(13) 0.1217(2) 0.79162(17) 0.0448(11) Uani 1 1 d .
O3B O 0.21867(13) 0.0239(3) 0.57252(18) 0.0503(12) Uani 1 1 d .
C1B C 0.16070(17) 0.2187(3) 0.6223(3) 0.0388(15) Uani 1 1 d .
C2B C 0.15568(18) 0.2816(4) 0.6457(3) 0.0419(16) Uani 1 1 d .
C3B C 0.13013(19) 0.3365(4) 0.6173(3) 0.0491(18) Uani 1 1 d .
H3B H 0.1279 0.3788 0.6331 0.059 Uiso 1 1 calc R
C4B C 0.1078(2) 0.3299(4) 0.5661(3) 0.0541(19) Uani 1 1 d .
C5B C 0.1122(2) 0.2686(4) 0.5433(3) 0.0532(19) Uani 1 1 d .
H5B H 0.0972 0.2629 0.5091 0.064 Uiso 1 1 calc R
C6B C 0.13869(18) 0.2145(4) 0.5698(2) 0.0412(16) Uani 1 1 d .
C7B C 0.0783(3) 0.3870(5) 0.5375(3) 0.084(3) Uani 1 1 d .
H7B1 H 0.0795 0.4255 0.5599 0.127 Uiso 1 1 calc R
H7B2 H 0.0566 0.3601 0.5223 0.127 Uiso 1 1 calc R
H7B3 H 0.0800 0.4115 0.5124 0.127 Uiso 1 1 calc R
C8B C 0.17719(18) 0.2906(3) 0.7000(3) 0.0426(16) Uani 1 1 d .
H8B H 0.1815 0.3403 0.7131 0.051 Uiso 1 1 calc R
C9B C 0.21796(18) 0.1911(4) 0.8077(3) 0.0409(15) Uani 1 1 d .
C10B C 0.24034(19) 0.2018(3) 0.8629(2) 0.0417(16) Uani 1 1 d .
C11B C 0.2354(2) 0.2605(4) 0.8872(3) 0.059(2) Uani 1 1 d .
H11B H 0.2169 0.2944 0.8695 0.071 Uiso 1 1 calc R
C12B C 0.2578(2) 0.2690(5) 0.9375(3) 0.066(2) Uani 1 1 d .
H12B H 0.2539 0.3076 0.9540 0.080 Uiso 1 1 calc R
C13B C 0.2860(3) 0.2205(5) 0.9639(3) 0.072(3) Uani 1 1 d .
H13B H 0.3018 0.2281 0.9977 0.087 Uiso 1 1 calc R
C14B C 0.2909(2) 0.1620(5) 0.9407(3) 0.070(2) Uani 1 1 d .
H14B H 0.3093 0.1280 0.9586 0.085 Uiso 1 1 calc R
C15B C 0.2682(2) 0.1532(4) 0.8898(3) 0.063(2) Uani 1 1 d .
H15B H 0.2718 0.1138 0.8737 0.076 Uiso 1 1 calc R
C16B C 0.1412(2) 0.1533(4) 0.5413(3) 0.0486(18) Uani 1 1 d .
H16B H 0.1231 0.1492 0.5081 0.058 Uiso 1 1 calc R
C17B C 0.1904(2) 0.0143(4) 0.5328(3) 0.0461(17) Uani 1 1 d .
C18B C 0.1862(2) -0.0421(4) 0.4950(3) 0.0526(19) Uani 1 1 d .
C19B C 0.1566(3) -0.0844(5) 0.4665(4) 0.076(3) Uani 1 1 d .
H19B H 0.1379 -0.0765 0.4695 0.091 Uiso 1 1 calc R
C20B C 0.1539(3) -0.1391(5) 0.4330(4) 0.084(3) Uani 1 1 d .
H20B H 0.1339 -0.1684 0.4143 0.101 Uiso 1 1 calc R
C21B C 0.1811(3) -0.1495(5) 0.4281(3) 0.078(3) Uani 1 1 d .
H21B H 0.1793 -0.1853 0.4053 0.093 Uiso 1 1 calc R
C22B C 0.2106(3) -0.1081(5) 0.4559(3) 0.073(3) Uani 1 1 d .
H22B H 0.2287 -0.1156 0.4517 0.088 Uiso 1 1 calc R
C23B C 0.2143(2) -0.0537(4) 0.4911(3) 0.059(2) Uani 1 1 d .
H23B H 0.2349 -0.0265 0.5109 0.071 Uiso 1 1 calc R
N1C N 0.22203(15) -0.0292(3) 0.7668(2) 0.0395(13) Uani 1 1 d .
N2C N 0.20348(16) -0.0938(3) 0.7660(2) 0.0448(14) Uani 1 1 d .
N3C N 0.26226(15) 0.2065(3) 0.6977(2) 0.0397(13) Uani 1 1 d .
N4C N 0.25723(16) 0.2757(3) 0.6717(2) 0.0448(14) Uani 1 1 d .
O1C O 0.23742(11) 0.0850(2) 0.72454(16) 0.0366(10) Uani 1 1 d .
O2C O 0.15448(13) -0.0304(2) 0.71014(18) 0.0497(12) Uani 1 1 d .
O3C O 0.22742(14) 0.1984(3) 0.60260(17) 0.0536(13) Uani 1 1 d .
C1C C 0.26820(17) 0.0864(3) 0.7670(2) 0.0347(14) Uani 1 1 d .
C2C C 0.27836(18) 0.0264(3) 0.8021(2) 0.0405(15) Uani 1 1 d .
C3C C 0.31226(19) 0.0264(4) 0.8454(3) 0.0493(18) Uani 1 1 d .
H3C H 0.3194 -0.0149 0.8673 0.059 Uiso 1 1 calc R
C4C C 0.3349(2) 0.0856(5) 0.8559(3) 0.060(2) Uani 1 1 d .
C5C C 0.3238(2) 0.1474(4) 0.8232(3) 0.055(2) Uani 1 1 d .
H5C H 0.3383 0.1900 0.8314 0.066 Uiso 1 1 calc R
C6C C 0.29174(17) 0.1473(4) 0.7786(2) 0.0396(15) Uani 1 1 d .
C7C C 0.3719(3) 0.0844(7) 0.9021(4) 0.100(4) Uani 1 1 d .
H7C1 H 0.3837 0.1307 0.9032 0.150 Uiso 1 1 calc R
H7C2 H 0.3839 0.0402 0.9008 0.150 Uiso 1 1 calc R
H7C3 H 0.3712 0.0815 0.9312 0.150 Uiso 1 1 calc R
C8C C 0.2550(2) -0.0349(4) 0.7961(3) 0.0467(17) Uani 1 1 d .
H8C H 0.2642 -0.0803 0.8142 0.056 Uiso 1 1 calc R
C9C C 0.1697(2) -0.0891(4) 0.7358(3) 0.0447(17) Uani 1 1 d .
C10C C 0.14958(13) -0.1576(2) 0.7316(2) 0.0493(18) Uani 1 1 d G
C11C C 0.15870(13) -0.2039(3) 0.77216(18) 0.070(3) Uani 1 1 d G
H11C H 0.1774 -0.1904 0.8036 0.084 Uiso 1 1 calc R
C12C C 0.13986(16) -0.2705(3) 0.7658(2) 0.078(2) Uani 1 1 d G
H12C H 0.1460 -0.3015 0.7930 0.094 Uiso 1 1 calc R
C13C C 0.11191(15) -0.2908(3) 0.7189(3) 0.081(2) Uani 1 1 d G
H13C H 0.0993 -0.3353 0.7146 0.097 Uiso 1 1 calc R
C14C C 0.10279(14) -0.2444(4) 0.6783(2) 0.096(3) Uani 1 1 d G
H14C H 0.0841 -0.2580 0.6469 0.115 Uiso 1 1 calc R
C15C C 0.12162(15) -0.1779(3) 0.68461(18) 0.084(3) Uani 1 1 d G
H15C H 0.1155 -0.1469 0.6575 0.101 Uiso 1 1 calc R
C16C C 0.28268(19) 0.2115(4) 0.7449(3) 0.0446(17) Uani 1 1 d .
H16C H 0.2923 0.2596 0.7584 0.054 Uiso 1 1 calc R
C17C C 0.23887(19) 0.2641(4) 0.6234(3) 0.0442(16) Uani 1 1 d .
C18C C 0.2304(2) 0.3337(4) 0.5909(3) 0.0543(19) Uani 1 1 d .
C19C C 0.2503(3) 0.3993(4) 0.6063(3) 0.068(2) Uani 1 1 d .
H19C H 0.2704 0.4011 0.6380 0.082 Uiso 1 1 calc R
C20C C 0.2412(4) 0.4620(6) 0.5758(5) 0.102(4) Uani 1 1 d .
H20C H 0.2546 0.5065 0.5877 0.123 Uiso 1 1 calc R
C21C C 0.2140(4) 0.4608(7) 0.5303(5) 0.110(4) Uani 1 1 d .
H21C H 0.2086 0.5041 0.5103 0.133 Uiso 1 1 calc R
C22C C 0.1929(3) 0.3960(8) 0.5113(5) 0.120(5) Uani 1 1 d .
H22C H 0.1739 0.3952 0.4786 0.144 Uiso 1 1 calc R
C23C C 0.2011(3) 0.3293(6) 0.5435(4) 0.094(3) Uani 1 1 d .
H23C H 0.1871 0.2856 0.5326 0.113 Uiso 1 1 calc R
N1D N 0.07813(17) -0.2711(4) 0.8398(2) 0.0614(18) Uani 1 1 d .
N2D N 0.09618(19) -0.2015(4) 0.8463(3) 0.072(2) Uani 1 1 d .
N3D N -0.03093(17) -0.4656(3) 0.7667(2) 0.0517(16) Uani 1 1 d .
N4D N -0.05983(19) -0.5063(4) 0.7307(3) 0.0614(18) Uani 1 1 d .
O1D O 0.02114(13) -0.3597(3) 0.79996(18) 0.0507(12) Uani 1 1 d .
O2D O 0.07243(15) -0.2055(3) 0.7635(2) 0.0611(14) Uani 1 1 d .
O3D O -0.08900(15) -0.3941(3) 0.7102(2) 0.0635(15) Uani 1 1 d .
C1D C 0.0386(2) -0.4036(4) 0.8397(3) 0.0498(18) Uani 1 1 d .
C2D C 0.0713(2) -0.3780(5) 0.8805(3) 0.061(2) Uani 1 1 d .
C3D C 0.0893(3) -0.4284(6) 0.9215(3) 0.082(3) Uani 1 1 d .
H3D H 0.1097 -0.4108 0.9496 0.099 Uiso 1 1 calc R
C4D C 0.0785(3) -0.5014(6) 0.9225(4) 0.080(3) Uani 1 1 d .
C5D C 0.0473(3) -0.5238(5) 0.8831(3) 0.069(2) Uani 1 1 d .
H5D H 0.0393 -0.5729 0.8836 0.083 Uiso 1 1 calc R
C6D C 0.0261(2) -0.4768(4) 0.8414(3) 0.057(2) Uani 1 1 d .
C7D C 0.1010(3) -0.5524(7) 0.9666(4) 0.125(5) Uani 1 1 d .
H7D1 H 0.1218 -0.5251 0.9903 0.188 Uiso 1 1 calc R
H7D2 H 0.1069 -0.5983 0.9561 0.188 Uiso 1 1 calc R
H7D3 H 0.0888 -0.5664 0.9816 0.188 Uiso 1 1 calc R
C8D C 0.0864(2) -0.3056(5) 0.8801(3) 0.070(2) Uani 1 1 d .
H8D H 0.1029 -0.2830 0.9102 0.084 Uiso 1 1 calc R
C9D C 0.0917(2) -0.1743(4) 0.8044(4) 0.061(2) Uani 1 1 d .
C10D C 0.11092(17) -0.1041(3) 0.8091(3) 0.072(3) Uani 1 1 d G
C11D C 0.14130(19) -0.0825(4) 0.8531(2) 0.107(4) Uani 1 1 d G
H11D H 0.1492 -0.1106 0.8819 0.128 Uiso 1 1 calc R
C12D C 0.15990(17) -0.0188(4) 0.8539(3) 0.131(5) Uani 1 1 d G
H12D H 0.1802 -0.0043 0.8833 0.157 Uiso 1 1 calc R
C13D C 0.1481(2) 0.0233(3) 0.8108(4) 0.116(4) Uani 1 1 d G
H13D H 0.1606 0.0659 0.8113 0.139 Uiso 1 1 calc R
C14D C 0.1177(2) 0.0017(4) 0.7668(3) 0.1014(16) Uani 1 1 d G
H14D H 0.1098 0.0298 0.7379 0.122 Uiso 1 1 calc R
C15D C 0.09913(15) -0.0621(4) 0.7660(2) 0.081(3) Uani 1 1 d G
H15D H 0.0788 -0.0765 0.7365 0.098 Uiso 1 1 calc R
C16D C -0.0064(2) -0.5070(5) 0.8016(3) 0.060(2) Uani 1 1 d .
H16D H -0.0099 -0.5600 0.8008 0.072 Uiso 1 1 calc R
C17D C -0.0889(2) -0.4644(5) 0.7025(3) 0.057(2) Uani 1 1 d .
C18D C -0.1207(2) -0.5051(5) 0.6631(3) 0.060(2) Uani 1 1 d .
C19D C -0.1198(3) -0.5772(6) 0.6442(4) 0.096(4) Uani 1 1 d .
H19D H -0.0987 -0.6019 0.6563 0.116 Uiso 1 1 calc R
C20D C -0.1502(4) -0.6111(7) 0.6074(5) 0.113(4) Uani 1 1 d .
H20D H -0.1495 -0.6580 0.5940 0.136 Uiso 1 1 calc R
C21D C -0.1814(3) -0.5777(7) 0.5905(4) 0.096(4) Uani 1 1 d .
H21D H -0.2017 -0.6024 0.5665 0.116 Uiso 1 1 calc R
C22D C -0.1827(3) -0.5066(7) 0.6092(4) 0.091(3) Uani 1 1 d .
H22D H -0.2039 -0.4831 0.5977 0.109 Uiso 1 1 calc R
C23D C -0.1521(3) -0.4708(6) 0.6450(3) 0.077(3) Uani 1 1 d .
H23D H -0.1529 -0.4226 0.6571 0.092 Uiso 1 1 calc R
N1E N 0.00791(17) -0.2154(4) 0.6725(2) 0.0539(16) Uani 1 1 d .
N2E N 0.00501(18) -0.2372(4) 0.6288(2) 0.0604(17) Uani 1 1 d .
O1E O 0.0000 -0.2256(3) 0.7500 0.0471(16) Uani 1 2 d S
O2E O 0.03260(14) -0.3470(3) 0.6711(2) 0.0568(13) Uani 1 1 d .
C1E C 0.0000 -0.1472(5) 0.7500 0.052(3) Uani 1 2 d S
C2E C -0.0005(2) -0.1070(4) 0.7119(3) 0.064(2) Uani 1 1 d .
C3E C -0.0011(3) -0.0269(5) 0.7124(4) 0.085(2) Uani 1 1 d .
H3E H -0.0022 0.0006 0.6868 0.102 Uiso 1 1 calc R
C4E C 0.0000 0.0120(12) 0.7500 0.119(6) Uiso 1 2 d S
C7E C 0.0000 0.1049(14) 0.7500 0.179(10) Uiso 1 2 d S
H7E1 H 0.0006 0.1234 0.7784 0.269 Uiso 0.50 1 calc PR
H7E2 H -0.0206 0.1234 0.7203 0.269 Uiso 0.50 1 calc PR
H7E3 H 0.0200 0.1234 0.7513 0.269 Uiso 0.50 1 calc PR
C8E C -0.0004(2) -0.1440(5) 0.6719(3) 0.064(2) Uani 1 1 d .
H8E H -0.0067 -0.1145 0.6441 0.076 Uiso 1 1 calc R
C9E C 0.0188(2) -0.3063(5) 0.6326(3) 0.057(2) Uani 1 1 d .
C10E C 0.0201(2) -0.3321(5) 0.5897(3) 0.061(2) Uani 1 1 d .
C11E C 0.0180(3) -0.2820(7) 0.5549(4) 0.084(3) Uani 1 1 d .
H11E H 0.0138 -0.2299 0.5566 0.101 Uiso 1 1 calc R
C12E C 0.0219(3) -0.3061(6) 0.5174(4) 0.098(3) Uani 1 1 d .
H12E H 0.0206 -0.2716 0.4944 0.117 Uiso 1 1 calc R
C13E C 0.0275(3) -0.3792(8) 0.5161(5) 0.105(4) Uiso 1 1 d .
H13E H 0.0310 -0.3951 0.4917 0.126 Uiso 1 1 calc R
C14E C 0.0287(3) -0.4350(8) 0.5465(5) 0.112(4) Uani 1 1 d .
H14E H 0.0316 -0.4868 0.5419 0.134 Uiso 1 1 calc R
C15E C 0.0254(2) -0.4101(6) 0.5871(4) 0.083(3) Uani 1 1 d .
H15E H 0.0267 -0.4451 0.6099 0.099 Uiso 1 1 calc R
O1W O 0.03541(15) 0.3356(3) 0.7863(2) 0.0654(12) Uani 1 1 d .
O2W O 0.0957(3) -0.0816(6) 0.9205(3) 0.098(4) Uani 0.70 1 d P
O2W' O 0.0861(7) -0.0354(15) 0.9378(7) 0.105(10) Uani 0.30 1 d P
O3W O 0.0319(3) 0.1122(9) 0.5307(7) 0.119(6) Uani 0.70 1 d P
O3W' O 0.0150(7) 0.087(2) 0.5195(11) 0.096(8) Uani 0.30 1 d P
O4W O 0.0457(10) 0.153(2) 0.4588(11) 0.128(10) Uani 0.60 1 d P
O4W' O 0.0394(16) 0.125(3) 0.4483(16) 0.116(14) Uani 0.40 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'
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
O1C Eu1 O3C 126.69(15) . .
O1C Eu1 O1B 70.33(14) . .
O3C Eu1 O1B 83.22(16) . .
O1C Eu1 O1A 69.04(15) . .
O3C Eu1 O1A 140.77(17) . .
O1B Eu1 O1A 68.29(14) . .
O1C Eu1 O3B 149.86(15) . .
O3C Eu1 O3B 81.52(16) . .
O1B Eu1 O3B 130.19(16) . .
O1A Eu1 O3B 96.38(16) . .
O1C Eu1 O2A 80.90(15) . .
O3C Eu1 O2A 99.68(17) . .
O1B Eu1 O2A 145.32(15) . .
O1A Eu1 O2A 119.17(14) . .
O3B Eu1 O2A 84.12(16) . .
O1C Eu1 N3B 131.88(17) . .
O3C Eu1 N3B 70.71(18) . .
O1B Eu1 N3B 68.13(16) . .
O1A Eu1 N3B 73.83(17) . .
O3B Eu1 N3B 62.06(17) . .
O2A Eu1 N3B 145.57(16) . .
O1C Eu1 N3C 67.35(15) . .
O3C Eu1 N3C 61.98(16) . .
O1B Eu1 N3C 77.22(16) . .
O1A Eu1 N3C 131.17(15) . .
O3B Eu1 N3C 132.44(17) . .
O2A Eu1 N3C 74.01(16) . .
N3B Eu1 N3C 123.60(17) . .
O1C Eu1 N1A 81.97(15) . .
O3C Eu1 N1A 144.31(17) . .
O1B Eu1 N1A 130.57(16) . .
O1A Eu1 N1A 63.75(16) . .
O3B Eu1 N1A 67.89(16) . .
O2A Eu1 N1A 60.51(16) . .
N3B Eu1 N1A 107.85(17) . .
N3C Eu1 N1A 128.42(17) . .
O1C Eu1 C17C 107.59(16) . .
O3C Eu1 C17C 19.17(17) . .
O1B Eu1 C17C 75.38(16) . .
O1A Eu1 C17C 142.45(16) . .
O3B Eu1 C17C 99.88(17) . .
O2A Eu1 C17C 96.10(16) . .
N3B Eu1 C17C 84.35(18) . .
N3C Eu1 C17C 43.60(17) . .
N1A Eu1 C17C 153.70(18) . .
O1C Eu1 Eu2 39.88(11) . .
O3C Eu1 Eu2 124.09(13) . .
O1B Eu1 Eu2 41.93(10) . .
O1A Eu1 Eu2 41.21(10) . .
O3B Eu1 Eu2 136.97(12) . .
O2A Eu1 Eu2 119.00(11) . .
N3B Eu1 Eu2 92.10(13) . .
N3C Eu1 Eu2 90.22(12) . .
N1A Eu1 Eu2 91.39(12) . .
C17C Eu1 Eu2 111.81(12) . .
O2B Eu2 O1C 84.06(16) . .
O2B Eu2 O1A 146.98(16) . .
O1C Eu2 O1A 69.64(15) . .
O2B Eu2 O2C 98.91(16) . .
O1C Eu2 O2C 120.80(15) . .
O1A Eu2 O2C 79.07(16) . .
O2B Eu2 O1B 121.57(15) . .
O1C Eu2 O1B 69.34(14) . .
O1A Eu2 O1B 68.01(14) . .
O2C Eu2 O1B 139.49(16) . .
O2B Eu2 O3A 83.70(16) . .
O1C Eu2 O3A 156.21(14) . .
O1A Eu2 O3A 127.73(16) . .
O2C Eu2 O3A 81.28(16) . .
O1B Eu2 O3A 100.32(15) . .
O2B Eu2 N1B 62.23(15) . .
O1C Eu2 N1B 87.90(15) . .
O1A Eu2 N1B 133.14(15) . .
O2C Eu2 N1B 145.17(16) . .
O1B Eu2 N1B 65.64(15) . .
O3A Eu2 N1B 68.34(16) . .
O2B Eu2 N3A 143.62(17) . .
O1C Eu2 N3A 131.89(16) . .
O1A Eu2 N3A 66.91(16) . .
O2C Eu2 N3A 69.58(17) . .
O1B Eu2 N3A 76.03(16) . .
O3A Eu2 N3A 60.86(16) . .
N1B Eu2 N3A 107.27(17) . .
O2B Eu2 N1C 69.53(16) . .
O1C Eu2 N1C 64.84(15) . .
O1A Eu2 N1C 81.09(16) . .
O2C Eu2 N1C 61.53(16) . .
O1B Eu2 N1C 131.25(15) . .
O3A Eu2 N1C 128.42(16) . .
N1B Eu2 N1C 126.49(17) . .
N3A Eu2 N1C 125.46(17) . .
O2B Eu2 C9B 19.03(15) . .
O1C Eu2 C9B 82.80(16) . .
O1A Eu2 C9B 152.41(16) . .
O2C Eu2 C9B 115.93(16) . .
O1B Eu2 C9B 103.93(15) . .
O3A Eu2 C9B 79.01(16) . .
N1B Eu2 C9B 43.31(16) . .
N3A Eu2 C9B 138.70(17) . .
N1C Eu2 C9B 86.28(16) . .
O2B Eu2 Eu1 121.94(12) . .
O1C Eu2 Eu1 39.83(10) . .
O1A Eu2 Eu1 42.00(10) . .
O2C Eu2 Eu1 119.51(12) . .
O1B Eu2 Eu1 40.78(10) . .
O3A Eu2 Eu1 139.69(11) . .
N1B Eu2 Eu1 95.06(11) . .
N3A Eu2 Eu1 92.56(12) . .
N1C Eu2 Eu1 91.33(12) . .
C9B Eu2 Eu1 114.54(12) . .
O1D Eu3 O1E 69.50(14) 2_556 .
O1D Eu3 O2E 82.75(18) 2_556 .
O1E Eu3 O2E 124.90(13) . .
O1D Eu3 O2D 145.24(18) 2_556 .
O1E Eu3 O2D 83.82(18) . .
O2E Eu3 O2D 95.58(19) . .
O1D Eu3 O1D 69.4(2) 2_556 .
O1E Eu3 O1D 68.95(14) . .
O2E Eu3 O1D 142.27(17) . .
O2D Eu3 O1D 121.84(18) . .
O1D Eu3 O3D 126.43(17) 2_556 2_556
O1E Eu3 O3D 146.89(14) . 2_556
O2E Eu3 O3D 87.75(19) . 2_556
O2D Eu3 O3D 88.02(19) . 2_556
O1D Eu3 O3D 88.81(17) . 2_556
O1D Eu3 N1E 80.04(19) 2_556 .
O1E Eu3 N1E 66.76(15) . .
O2E Eu3 N1E 62.06(18) . .
O2D Eu3 N1E 68.9(2) . .
O1D Eu3 N1E 132.63(18) . .
O3D Eu3 N1E 138.45(19) 2_556 .
O1D Eu3 N3D 66.20(18) 2_556 2_556
O1E Eu3 N3D 129.97(17) . 2_556
O2E Eu3 N3D 70.92(18) . 2_556
O2D Eu3 N3D 145.75(19) . 2_556
O1D Eu3 N3D 74.66(17) . 2_556
O3D Eu3 N3D 60.89(19) 2_556 2_556
N1E Eu3 N3D 124.6(2) . 2_556
O1D Eu3 N1D 130.70(19) 2_556 .
O1E Eu3 N1D 79.97(16) . .
O2E Eu3 N1D 146.0(2) . .
O2D Eu3 N1D 61.45(19) . .
O1D Eu3 N1D 63.73(18) . .
O3D Eu3 N1D 68.0(2) 2_556 .
N1E Eu3 N1D 122.2(2) . .
N3D Eu3 N1D 113.1(2) 2_556 .
O1D Eu3 C9E 80.16(18) 2_556 .
O1E Eu3 C9E 107.69(15) . .
O2E Eu3 C9E 18.32(19) . .
O2D Eu3 C9E 87.57(19) . .
O1D Eu3 C9E 148.69(18) . .
O3D Eu3 C9E 103.9(2) 2_556 .
N1E Eu3 C9E 43.7(2) . .
N3D Eu3 C9E 86.6(2) 2_556 .
N1D Eu3 C9E 147.6(2) . .
O1D Eu3 Eu3 41.49(12) 2_556 2_556
O1E Eu3 Eu3 40.79(11) . 2_556
O2E Eu3 Eu3 123.36(13) . 2_556
O2D Eu3 Eu3 123.06(14) . 2_556
O1D Eu3 Eu3 40.82(12) . 2_556
O3D Eu3 Eu3 128.54(13) 2_556 2_556
N1E Eu3 Eu3 92.82(14) . 2_556
N3D Eu3 Eu3 89.53(13) 2_556 2_556
N1D Eu3 Eu3 90.66(15) . 2_556
C9E Eu3 Eu3 116.05(14) . 2_556
C8A N1A N2A 115.2(5) . .
C8A N1A Eu1 129.0(5) . .
N2A N1A Eu1 115.7(4) . .
C9A N2A N1A 114.7(5) . .
C16A N3A N4A 113.9(6) . .
C16A N3A Eu2 131.0(5) . .
N4A N3A Eu2 114.5(4) . .
C17A N4A N3A 114.3(6) . .
C1A O1A Eu2 136.1(4) . .
C1A O1A Eu1 126.0(4) . .
Eu2 O1A Eu1 96.79(14) . .
C9A O2A Eu1 127.1(4) . .
C17A O3A Eu2 124.3(4) . .
O1A C1A C6A 122.0(6) . .
O1A C1A C2A 119.8(6) . .
C6A C1A C2A 118.2(6) . .
C3A C2A C1A 119.7(7) . .
C3A C2A C8A 118.2(6) . .
C1A C2A C8A 122.1(6) . .
C4A C3A C2A 122.4(7) . .
C4A C3A H3A 118.8 . .
C2A C3A H3A 118.8 . .
C3A C4A C5A 117.4(7) . .
C3A C4A C7A 121.6(7) . .
C5A C4A C7A 121.0(8) . .
C4A C5A C6A 122.5(7) . .
C4A C5A H5A 118.7 . .
C6A C5A H5A 118.7 . .
C5A C6A C1A 119.8(6) . .
C5A C6A C16A 116.4(7) . .
C1A C6A C16A 123.7(6) . .
C4A C7A H7A1 109.5 . .
C4A C7A H7A2 109.5 . .
H7A1 C7A H7A2 109.5 . .
C4A C7A H7A3 109.5 . .
H7A1 C7A H7A3 109.5 . .
H7A2 C7A H7A3 109.5 . .
N1A C8A C2A 122.7(6) . .
N1A C8A H8A 118.6 . .
C2A C8A H8A 118.6 . .
O2A C9A N2A 121.5(6) . .
O2A C9A C10A 121.7(6) . .
N2A C9A C10A 116.7(6) . .
C15A C10A C11A 118.1(7) . .
C15A C10A C9A 118.9(6) . .
C11A C10A C9A 123.0(6) . .
C12A C11A C10A 120.8(8) . .
C12A C11A H11A 119.6 . .
C10A C11A H11A 119.6 . .
C13A C12A C11A 120.9(8) . .
C13A C12A H12A 119.6 . .
C11A C12A H12A 119.6 . .
C14A C13A C12A 119.1(9) . .
C14A C13A H13A 120.5 . .
C12A C13A H13A 120.5 . .
C13A C14A C15A 121.5(10) . .
C13A C14A H14A 119.3 . .
C15A C14A H14A 119.3 . .
C10A C15A C14A 119.6(8) . .
C10A C15A H15A 120.2 . .
C14A C15A H15A 120.2 . .
N3A C16A C6A 125.5(7) . .
N3A C16A H16A 117.2 . .
C6A C16A H16A 117.2 . .
O3A C17A N4A 123.5(6) . .
O3A C17A C18A 121.8(7) . .
N4A C17A C18A 114.7(7) . .
C23A C18A C19A 118.4(8) . .
C23A C18A C17A 118.4(8) . .
C19A C18A C17A 123.2(8) . .
C18A C19A C20A 119.9(11) . .
C18A C19A H19A 120.0 . .
C20A C19A H19A 120.0 . .
C21A C20A C19A 120.6(12) . .
C21A C20A H20A 119.7 . .
C19A C20A H20A 119.7 . .
C20A C21A C22A 121.0(11) . .
C20A C21A H21A 119.5 . .
C22A C21A H21A 119.5 . .
C21A C22A C23A 118.1(11) . .
C21A C22A H22A 121.0 . .
C23A C22A H22A 121.0 . .
C18A C23A C22A 121.8(10) . .
C18A C23A H23A 119.1 . .
C22A C23A H23A 119.1 . .
C8B N1B N2B 115.8(5) . .
C8B N1B Eu2 127.6(4) . .
N2B N1B Eu2 116.5(3) . .
C9B N2B N1B 110.2(5) . .
C16B N3B N4B 113.3(6) . .
C16B N3B Eu1 131.8(5) . .
N4B N3B Eu1 114.7(4) . .
C17B N4B N3B 114.7(6) . .
C1B O1B Eu1 138.2(4) . .
C1B O1B Eu2 121.3(4) . .
Eu1 O1B Eu2 97.29(14) . .
C9B O2B Eu2 124.3(4) . .
C17B O3B Eu1 123.0(4) . .
O1B C1B C2B 120.4(6) . .
O1B C1B C6B 122.4(6) . .
C2B C1B C6B 117.2(6) . .
C3B C2B C1B 120.1(6) . .
C3B C2B C8B 118.8(6) . .
C1B C2B C8B 121.1(6) . .
C4B C3B C2B 122.0(6) . .
C4B C3B H3B 119.0 . .
C2B C3B H3B 119.0 . .
C5B C4B C3B 118.1(7) . .
C5B C4B C7B 121.9(7) . .
C3B C4B C7B 119.8(7) . .
C4B C5B C6B 122.0(7) . .
C4B C5B H5B 119.0 . .
C6B C5B H5B 119.0 . .
C5B C6B C1B 120.4(6) . .
C5B C6B C16B 116.7(6) . .
C1B C6B C16B 122.8(6) . .
C4B C7B H7B1 109.5 . .
C4B C7B H7B2 109.5 . .
H7B1 C7B H7B2 109.5 . .
C4B C7B H7B3 109.5 . .
H7B1 C7B H7B3 109.5 . .
H7B2 C7B H7B3 109.5 . .
N1B C8B C2B 123.5(6) . .
N1B C8B H8B 118.3 . .
C2B C8B H8B 118.3 . .
O2B C9B N2B 126.4(6) . .
O2B C9B C10B 117.0(6) . .
N2B C9B C10B 116.5(6) . .
O2B C9B Eu2 36.7(3) . .
N2B C9B Eu2 90.0(4) . .
C10B C9B Eu2 152.9(4) . .
C15B C10B C11B 118.8(7) . .
C15B C10B C9B 117.9(6) . .
C11B C10B C9B 123.2(7) . .
C12B C11B C10B 120.1(8) . .
C12B C11B H11B 119.9 . .
C10B C11B H11B 119.9 . .
C11B C12B C13B 120.2(8) . .
C11B C12B H12B 119.9 . .
C13B C12B H12B 119.9 . .
C14B C13B C12B 120.3(8) . .
C14B C13B H13B 119.9 . .
C12B C13B H13B 119.9 . .
C13B C14B C15B 119.4(9) . .
C13B C14B H14B 120.3 . .
C15B C14B H14B 120.3 . .
C10B C15B C14B 121.1(8) . .
C10B C15B H15B 119.4 . .
C14B C15B H15B 119.4 . .
N3B C16B C6B 126.2(7) . .
N3B C16B H16B 116.9 . .
C6B C16B H16B 116.9 . .
O3B C17B N4B 122.7(6) . .
O3B C17B C18B 121.7(7) . .
N4B C17B C18B 115.6(7) . .
C19B C18B C23B 120.3(7) . .
C19B C18B C17B 122.2(8) . .
C23B C18B C17B 117.5(8) . .
C18B C19B C20B 120.8(9) . .
C18B C19B H19B 119.6 . .
C20B C19B H19B 119.6 . .
C21B C20B C19B 119.3(10) . .
C21B C20B H20B 120.3 . .
C19B C20B H20B 120.3 . .
C22B C21B C20B 120.7(8) . .
C22B C21B H21B 119.6 . .
C20B C21B H21B 119.6 . .
C21B C22B C23B 121.1(9) . .
C21B C22B H22B 119.4 . .
C23B C22B H22B 119.4 . .
C18B C23B C22B 117.7(9) . .
C18B C23B H23B 121.1 . .
C22B C23B H23B 121.1 . .
C8C N1C N2C 114.8(5) . .
C8C N1C Eu2 131.7(4) . .
N2C N1C Eu2 113.5(4) . .
C9C N2C N1C 115.5(5) . .
C16C N3C N4C 115.1(5) . .
C16C N3C Eu1 129.1(4) . .
N4C N3C Eu1 115.6(4) . .
C17C N4C N3C 111.3(5) . .
C1C O1C Eu1 128.4(4) . .
C1C O1C Eu2 131.2(4) . .
Eu1 O1C Eu2 100.29(16) . .
C9C O2C Eu2 126.2(5) . .
C17C O3C Eu1 123.6(4) . .
O1C C1C C6C 121.4(5) . .
O1C C1C C2C 120.6(6) . .
C6C C1C C2C 118.0(6) . .
C3C C2C C1C 119.3(6) . .
C3C C2C C8C 118.3(6) . .
C1C C2C C8C 122.4(6) . .
C4C C3C C2C 121.8(7) . .
C4C C3C H3C 119.1 . .
C2C C3C H3C 119.1 . .
C3C C4C C5C 118.5(7) . .
C3C C4C C7C 121.6(7) . .
C5C C4C C7C 119.9(8) . .
C6C C5C C4C 121.6(7) . .
C6C C5C H5C 119.2 . .
C4C C5C H5C 119.2 . .
C5C C6C C1C 120.4(6) . .
C5C C6C C16C 118.7(6) . .
C1C C6C C16C 120.9(6) . .
C4C C7C H7C1 109.5 . .
C4C C7C H7C2 109.5 . .
H7C1 C7C H7C2 109.5 . .
C4C C7C H7C3 109.5 . .
H7C1 C7C H7C3 109.5 . .
H7C2 C7C H7C3 109.5 . .
N1C C8C C2C 122.7(6) . .
N1C C8C H8C 118.7 . .
C2C C8C H8C 118.7 . .
O2C C9C N2C 123.2(6) . .
O2C C9C C10C 119.8(6) . .
N2C C9C C10C 117.0(6) . .
C11C C10C C15C 120.0 . .
C11C C10C C9C 122.1(5) . .
C15C C10C C9C 117.8(5) . .
C10C C11C C12C 120.0 . .
C10C C11C H11C 120.0 . .
C12C C11C H11C 120.0 . .
C11C C12C C13C 120.0 . .
C11C C12C H12C 120.0 . .
C13C C12C H12C 120.0 . .
C14C C13C C12C 120.0 . .
C14C C13C H13C 120.0 . .
C12C C13C H13C 120.0 . .
C13C C14C C15C 120.0 . .
C13C C14C H14C 120.0 . .
C15C C14C H14C 120.0 . .
C14C C15C C10C 120.0 . .
C14C C15C H15C 120.0 . .
C10C C15C H15C 120.0 . .
N3C C16C C6C 124.2(6) . .
N3C C16C H16C 117.9 . .
C6C C16C H16C 117.9 . .
O3C C17C N4C 124.6(6) . .
O3C C17C C18C 118.3(6) . .
N4C C17C C18C 117.1(6) . .
O3C C17C Eu1 37.2(3) . .
N4C C17C Eu1 88.4(4) . .
C18C C17C Eu1 152.5(5) . .
C19C C18C C23C 120.0(8) . .
C19C C18C C17C 123.2(8) . .
C23C C18C C17C 116.8(7) . .
C20C C19C C18C 121.2(10) . .
C20C C19C H19C 119.4 . .
C18C C19C H19C 119.4 . .
C21C C20C C19C 121.5(11) . .
C21C C20C H20C 119.3 . .
C19C C20C H20C 119.3 . .
C20C C21C C22C 121.2(10) . .
C20C C21C H21C 119.4 . .
C22C C21C H21C 119.4 . .
C21C C22C C23C 118.7(11) . .
C21C C22C H22C 120.6 . .
C23C C22C H22C 120.6 . .
C18C C23C C22C 117.3(10) . .
C18C C23C H23C 121.3 . .
C22C C23C H23C 121.3 . .
C8D N1D N2D 115.2(7) . .
C8D N1D Eu3 130.9(6) . .
N2D N1D Eu3 113.6(5) . .
C9D N2D N1D 113.6(7) . .
C16D N3D N4D 115.5(7) . .
C16D N3D Eu3 130.1(5) . 2_556
N4D N3D Eu3 114.4(5) . 2_556
C17D N4D N3D 115.9(6) . .
C1D O1D Eu3 131.9(5) . 2_556
C1D O1D Eu3 130.0(4) . .
Eu3 O1D Eu3 97.69(17) 2_556 .
C9D O2D Eu3 127.8(5) . .
C17D O3D Eu3 123.7(5) . 2_556
O1D C1D C6D 120.9(7) . .
O1D C1D C2D 119.4(7) . .
C6D C1D C2D 119.7(7) . .
C3D C2D C1D 116.9(8) . .
C3D C2D C8D 120.5(8) . .
C1D C2D C8D 122.5(7) . .
C4D C3D C2D 124.0(9) . .
C4D C3D H3D 118.0 . .
C2D C3D H3D 118.0 . .
C5D C4D C3D 117.2(8) . .
C5D C4D C7D 123.2(10) . .
C3D C4D C7D 119.6(10) . .
C4D C5D C6D 123.7(8) . .
C4D C5D H5D 118.1 . .
C6D C5D H5D 118.1 . .
C1D C6D C5D 118.2(8) . .
C1D C6D C16D 122.9(7) . .
C5D C6D C16D 118.8(7) . .
C4D C7D H7D1 109.5 . .
C4D C7D H7D2 109.5 . .
H7D1 C7D H7D2 109.5 . .
C4D C7D H7D3 109.5 . .
H7D1 C7D H7D3 109.5 . .
H7D2 C7D H7D3 109.5 . .
N1D C8D C2D 122.7(8) . .
N1D C8D H8D 118.7 . .
C2D C8D H8D 118.7 . .
O2D C9D N2D 123.1(7) . .
O2D C9D C10D 120.8(8) . .
N2D C9D C10D 116.1(8) . .
C11D C10D C15D 120.0 . .
C11D C10D C9D 123.0(6) . .
C15D C10D C9D 116.8(6) . .
C10D C11D C12D 120.0 . .
C10D C11D H11D 120.0 . .
C12D C11D H11D 120.0 . .
C13D C12D C11D 120.0 . .
C13D C12D H12D 120.0 . .
C11D C12D H12D 120.0 . .
C12D C13D C14D 120.0 . .
C12D C13D H13D 120.0 . .
C14D C13D H13D 120.0 . .
C13D C14D C15D 120.0 . .
C13D C14D H14D 120.0 . .
C15D C14D H14D 120.0 . .
C14D C15D C10D 120.0 . .
C14D C15D H15D 120.0 . .
C10D C15D H15D 120.0 . .
N3D C16D C6D 124.5(7) . .
N3D C16D H16D 117.8 . .
C6D C16D H16D 117.8 . .
O3D C17D N4D 120.3(8) . .
O3D C17D C18D 121.5(8) . .
N4D C17D C18D 118.2(7) . .
C23D C18D C19D 118.9(9) . .
C23D C18D C17D 118.5(8) . .
C19D C18D C17D 122.6(9) . .
C20D C19D C18D 119.4(11) . .
C20D C19D H19D 120.3 . .
C18D C19D H19D 120.3 . .
C21D C20D C19D 121.4(11) . .
C21D C20D H20D 119.3 . .
C19D C20D H20D 119.3 . .
C20D C21D C22D 119.6(10) . .
C20D C21D H21D 120.2 . .
C22D C21D H21D 120.2 . .
C23D C22D C21D 119.4(11) . .
C23D C22D H22D 120.3 . .
C21D C22D H22D 120.3 . .
C18D C23D C22D 121.2(10) . .
C18D C23D H23D 119.4 . .
C22D C23D H23D 119.4 . .
C8E N1E N2E 112.5(6) . .
C8E N1E Eu3 130.2(5) . .
N2E N1E Eu3 116.7(4) . .
C9E N2E N1E 112.2(6) . .
C1E O1E Eu3 130.79(11) . 2_556
C1E O1E Eu3 130.79(11) . .
Eu3 O1E Eu3 98.4(2) 2_556 .
C9E O2E Eu3 125.6(5) . .
O1E C1E C2E 119.7(5) . .
O1E C1E C2E 119.7(5) . 2_556
C2E C1E C2E 120.6(10) . 2_556
C3E C2E C1E 118.5(8) . .
C3E C2E C8E 117.4(8) . .
C1E C2E C8E 124.0(7) . .
C4E C3E C2E 120.6(12) . .
C4E C3E H3E 119.7 . .
C2E C3E H3E 119.7 . .
C3E C4E C3E 121.1(18) . 2_556
C3E C4E C7E 119.5(9) . .
C3E C4E C7E 119.5(9) 2_556 .
C4E C7E H7E1 109.5 . .
C4E C7E H7E2 109.5 . .
H7E1 C7E H7E2 109.5 . .
C4E C7E H7E3 109.5 . .
H7E1 C7E H7E3 109.5 . .
H7E2 C7E H7E3 109.5 . .
N1E C8E C2E 124.0(7) . .
N1E C8E H8E 118.0 . .
C2E C8E H8E 118.0 . .
O2E C9E N2E 123.4(7) . .
O2E C9E C10E 119.7(8) . .
N2E C9E C10E 116.7(8) . .
O2E C9E Eu3 36.1(4) . .
N2E C9E Eu3 87.3(5) . .
C10E C9E Eu3 155.7(6) . .
C11E C10E C15E 119.7(9) . .
C11E C10E C9E 123.5(8) . .
C15E C10E C9E 116.8(8) . .
C10E C11E C12E 122.7(10) . .
C10E C11E H11E 118.6 . .
C12E C11E H11E 118.6 . .
C13E C12E C11E 116.6(11) . .
C13E C12E H12E 121.7 . .
C11E C12E H12E 121.7 . .
C12E C13E C14E 126.8(13) . .
C12E C13E H13E 116.6 . .
C14E C13E H13E 116.6 . .
C13E C14E C15E 117.2(11) . .
C13E C14E H14E 121.4 . .
C15E C14E H14E 121.4 . .
C10E C15E C14E 116.9(11) . .
C10E C15E H15E 121.6 . .
C14E C15E H15E 121.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 O1C 2.342(4) .
Eu1 O3C 2.352(5) .
Eu1 O1B 2.369(4) .
Eu1 O1A 2.424(4) .
Eu1 O3B 2.441(5) .
Eu1 O2A 2.452(5) .
Eu1 N3B 2.614(6) .
Eu1 N3C 2.615(5) .
Eu1 N1A 2.693(5) .
Eu1 C17C 3.238(6) .
Eu1 Eu2 3.5977(5) .
Eu2 O2B 2.341(4) .
Eu2 O1C 2.344(4) .
Eu2 O1A 2.387(4) .
Eu2 O2C 2.396(4) .
Eu2 O1B 2.424(4) .
Eu2 O3A 2.476(5) .
Eu2 N1B 2.629(5) .
Eu2 N3A 2.675(6) .
Eu2 N1C 2.685(5) .
Eu2 C9B 3.239(7) .
Eu3 O1D 2.354(5) 2_556
Eu3 O1E 2.356(4) .
Eu3 O2E 2.357(5) .
Eu3 O2D 2.366(5) .
Eu3 O1D 2.386(5) .
Eu3 O3D 2.458(5) 2_556
Eu3 N1E 2.593(6) .
Eu3 N3D 2.632(6) 2_556
Eu3 N1D 2.682(7) .
Eu3 C9E 3.253(8) .
Eu3 Eu3 3.5683(8) 2_556
N1A C8A 1.288(8) .
N1A N2A 1.402(8) .
N2A C9A 1.351(8) .
N3A C16A 1.292(9) .
N3A N4A 1.405(8) .
N4A C17A 1.347(9) .
O1A C1A 1.305(7) .
O2A C9A 1.253(7) .
O3A C17A 1.225(8) .
C1A C6A 1.416(10) .
C1A C2A 1.418(9) .
C2A C3A 1.408(10) .
C2A C8A 1.440(10) .
C3A C4A 1.383(11) .
C3A H3A 0.9300 .
C4A C5A 1.396(10) .
C4A C7A 1.532(10) .
C5A C6A 1.398(10) .
C5A H5A 0.9300 .
C6A C16A 1.434(10) .
C7A H7A1 0.9600 .
C7A H7A2 0.9600 .
C7A H7A3 0.9600 .
C8A H8A 0.9300 .
C9A C10A 1.475(10) .
C10A C15A 1.367(10) .
C10A C11A 1.374(9) .
C11A C12A 1.358(11) .
C11A H11A 0.9300 .
C12A C13A 1.349(14) .
C12A H12A 0.9300 .
C13A C14A 1.337(14) .
C13A H13A 0.9300 .
C14A C15A 1.380(12) .
C14A H14A 0.9300 .
C15A H15A 0.9300 .
C16A H16A 0.9300 .
C17A C18A 1.490(10) .
C18A C23A 1.351(11) .
C18A C19A 1.363(13) .
C19A C20A 1.386(14) .
C19A H19A 0.9300 .
C20A C21A 1.324(16) .
C20A H20A 0.9300 .
C21A C22A 1.359(15) .
C21A H21A 0.9300 .
C22A C23A 1.389(13) .
C22A H22A 0.9300 .
C23A H23A 0.9300 .
N1B C8B 1.255(8) .
N1B N2B 1.413(7) .
N2B C9B 1.316(8) .
N3B C16B 1.286(9) .
N3B N4B 1.400(7) .
N4B C17B 1.344(9) .
O1B C1B 1.313(7) .
O2B C9B 1.279(7) .
O3B C17B 1.239(8) .
C1B C2B 1.415(9) .
C1B C6B 1.419(9) .
C2B C3B 1.395(9) .
C2B C8B 1.473(9) .
C3B C4B 1.390(10) .
C3B H3B 0.9300 .
C4B C5B 1.370(10) .
C4B C7B 1.519(10) .
C5B C6B 1.398(9) .
C5B H5B 0.9300 .
C6B C16B 1.449(9) .
C7B H7B1 0.9600 .
C7B H7B2 0.9600 .
C7B H7B3 0.9600 .
C8B H8B 0.9300 .
C9B C10B 1.501(9) .
C10B C15B 1.373(10) .
C10B C11B 1.379(9) .
C11B C12B 1.371(11) .
C11B H11B 0.9300 .
C12B C13B 1.383(13) .
C12B H12B 0.9300 .
C13B C14B 1.350(12) .
C13B H13B 0.9300 .
C14B C15B 1.387(11) .
C14B H14B 0.9300 .
C15B H15B 0.9300 .
C16B H16B 0.9300 .
C17B C18B 1.489(9) .
C18B C19B 1.366(12) .
C18B C23B 1.394(11) .
C19B C20B 1.392(12) .
C19B H19B 0.9300 .
C20B C21B 1.368(14) .
C20B H20B 0.9300 .
C21B C22B 1.353(14) .
C21B H21B 0.9300 .
C22B C23B 1.412(11) .
C22B H22B 0.9300 .
C23B H23B 0.9300 .
N1C C8C 1.279(9) .
N1C N2C 1.403(7) .
N2C C9C 1.311(9) .
N3C C16C 1.281(8) .
N3C N4C 1.406(7) .
N4C C17C 1.318(9) .
O1C C1C 1.325(8) .
O2C C9C 1.253(8) .
O3C C17C 1.276(8) .
C1C C6C 1.410(9) .
C1C C2C 1.415(8) .
C2C C3C 1.413(10) .
C2C C8C 1.451(9) .
C3C C4C 1.367(10) .
C3C H3C 0.9300 .
C4C C5C 1.388(10) .
C4C C7C 1.529(12) .
C5C C6C 1.385(9) .
C5C H5C 0.9300 .
C6C C16C 1.447(9) .
C7C H7C1 0.9600 .
C7C H7C2 0.9600 .
C7C H7C3 0.9600 .
C8C H8C 0.9300 .
C9C C10C 1.468(7) .
C10C C11C 1.3900 .
C10C C15C 1.3900 .
C11C C12C 1.3900 .
C11C H11C 0.9300 .
C12C C13C 1.3900 .
C12C H12C 0.9300 .
C13C C14C 1.3900 .
C13C H13C 0.9300 .
C14C C15C 1.3900 .
C14C H14C 0.9300 .
C15C H15C 0.9300 .
C16C H16C 0.9300 .
C17C C18C 1.500(9) .
C18C C19C 1.371(11) .
C18C C23C 1.379(12) .
C19C C20C 1.366(12) .
C19C H19C 0.9300 .
C20C C21C 1.306(16) .
C20C H20C 0.9300 .
C21C C22C 1.387(17) .
C21C H21C 0.9300 .
C22C C23C 1.459(14) .
C22C H22C 0.9300 .
C23C H23C 0.9300 .
N1D C8D 1.282(10) .
N1D N2D 1.415(9) .
N2D C9D 1.336(11) .
N3D C16D 1.288(10) .
N3D N4D 1.386(9) .
N3D Eu3 2.632(6) 2_556
N4D C17D 1.345(11) .
O1D C1D 1.317(8) .
O1D Eu3 2.354(5) 2_556
O2D C9D 1.236(10) .
O3D C17D 1.242(9) .
O3D Eu3 2.458(5) 2_556
C1D C6D 1.407(10) .
C1D C2D 1.421(11) .
C2D C3D 1.412(11) .
C2D C8D 1.439(11) .
C3D C4D 1.366(13) .
C3D H3D 0.9300 .
C4D C5D 1.352(13) .
C4D C7D 1.503(13) .
C5D C6D 1.406(11) .
C5D H5D 0.9300 .
C6D C16D 1.432(11) .
C7D H7D1 0.9600 .
C7D H7D2 0.9600 .
C7D H7D3 0.9600 .
C8D H8D 0.9300 .
C9D C10D 1.465(9) .
C10D C11D 1.3900 .
C10D C15D 1.3900 .
C11D C12D 1.3900 .
C11D H11D 0.9300 .
C12D C13D 1.3900 .
C12D H12D 0.9300 .
C13D C14D 1.3900 .
C13D H13D 0.9300 .
C14D C15D 1.3900 .
C14D H14D 0.9300 .
C15D H15D 0.9300 .
C16D H16D 0.9300 .
C17D C18D 1.490(11) .
C18D C23D 1.367(12) .
C18D C19D 1.400(12) .
C19D C20D 1.377(15) .
C19D H19D 0.9300 .
C20D C21D 1.358(16) .
C20D H20D 0.9300 .
C21D C22D 1.386(15) .
C21D H21D 0.9300 .
C22D C23D 1.385(13) .
C22D H22D 0.9300 .
C23D H23D 0.9300 .
N1E C8E 1.292(10) .
N1E N2E 1.397(8) .
N2E C9E 1.328(10) .
O1E C1E 1.356(11) .
O1E Eu3 2.356(4) 2_556
O2E C9E 1.257(9) .
C1E C2E 1.403(9) .
C1E C2E 1.403(9) 2_556
C2E C3E 1.386(11) .
C2E C8E 1.444(11) .
C3E C4E 1.368(13) .
C3E H3E 0.9300 .
C4E C3E 1.368(13) 2_556
C4E C7E 1.61(3) .
C7E H7E1 0.9600 .
C7E H7E2 0.9600 .
C7E H7E3 0.9600 .
C8E H8E 0.9300 .
C9E C10E 1.487(11) .
C10E C11E 1.382(12) .
C10E C15E 1.383(12) .
C11E C12E 1.384(13) .
C11E H11E 0.9300 .
C12E C13E 1.296(15) .
C12E H12E 0.9300 .
C13E C14E 1.357(16) .
C13E H13E 0.9300 .
C14E C15E 1.467(14) .
C14E H14E 0.9300 .
C15E H15E 0.9300 .
O2W O2W' 1.19(3) .
O3W O3W' 0.79(4) .
O4W O4W' 0.57(6) .
