#------------------------------------------------------------------------------
#$Date: 2017-07-11 14:26:40 +0300 (Tue, 11 Jul 2017) $
#$Revision: 198632 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/50/74/4507453.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_4507453
loop_
_publ_author_name
'Hao, Zhaomin'
'Song, Shuyan'
'Su, Shengqun'
'Song, Xuezhi'
'Zhu, Min'
'Zhao, Shuna'
'Meng, Xing'
'Zhang, Hongjie'
_publ_section_title
;
 Design and Synthesis of Enantiomerically Pure Chiral Sandwichlike
 Lamellar Structure: New Explorations from Molecular Building Blocks to
 Three-Dimensional Morphology
;
_journal_issue                   3
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              976
_journal_paper_doi               10.1021/cg301321r
_journal_volume                  13
_journal_year                    2013
_chemical_formula_sum            'C24 H21 Eu N2 Na3 O16'
_chemical_formula_weight         814.37
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 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                 101.5840(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.1528(8)
_cell_length_b                   11.6995(8)
_cell_length_c                   22.3340(14)
_cell_measurement_temperature    185(2)
_cell_volume                     3110.8(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      185(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0632
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            6547
_diffrn_reflns_theta_full        26.17
_diffrn_reflns_theta_max         26.17
_diffrn_reflns_theta_min         0.93
_exptl_absorpt_coefficient_mu    2.134
_exptl_absorpt_correction_T_max  0.696
_exptl_absorpt_correction_T_min  0.443
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Sheldrick, 1996'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.739
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       lamellar
_exptl_crystal_F_000             1612
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.17
_refine_diff_density_max         1.067
_refine_diff_density_min         -0.691
_refine_diff_density_rms         0.218
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.014(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     834
_refine_ls_number_reflns         17411
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0335
_refine_ls_R_factor_gt           0.0313
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0319P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0799
_refine_ls_wR_factor_ref         0.0870
_reflns_number_gt                16452
_reflns_number_total             6547
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg301321r_si_002.cif
_cod_data_source_block           1a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 1891 2012-01-12 08:04:46Z andrius 

The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'multi-scans' was replaced
with the value 'multi-scan' as specified in the replacement file
'src/cod-tools/trunk/data/replacement-values/replacement_values.lst'.

Automatic conversion script
Id: cif_fix_values 5376 2017-05-30 11:51:03Z andrius 
;
_cod_original_sg_symbol_H-M      P21
_cod_database_code               4507453
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Eu01 Eu 1.195468(15) 0.277128(17) 0.831764(9) 0.01229(5) Uani 1 1 d .
Eu02 Eu 0.690369(17) 0.790235(19) 0.766412(9) 0.01817(6) Uani 1 1 d .
O20 O 1.2762(3) 0.2241(3) 0.75079(14) 0.0176(7) Uani 1 1 d .
O14 O 1.0700(2) 0.3645(3) 0.75513(14) 0.0161(7) Uani 1 1 d .
O23 O 1.0071(3) 0.2296(3) 0.85385(14) 0.0169(7) Uani 1 1 d .
O5 O 0.6163(3) 0.7645(3) 0.85809(15) 0.0312(9) Uani 1 1 d .
O8 O 0.7205(3) 0.9738(3) 0.81848(17) 0.0294(9) Uani 1 1 d .
O17 O 1.4890(3) 0.4388(3) 0.94155(16) 0.0212(8) Uani 1 1 d .
O13 O 0.9261(3) 0.3325(3) 0.65353(14) 0.0244(8) Uani 1 1 d .
O21 O 1.2400(3) 0.1307(3) 0.90620(14) 0.0173(7) Uani 1 1 d .
N3 N 1.2549(3) 0.4812(3) 0.81795(17) 0.0144(8) Uani 1 1 d .
O18 O 1.3934(2) 0.3252(2) 0.86886(14) 0.0167(7) Uani 1 1 d .
O6 O 0.5055(3) 0.7457(3) 0.92519(15) 0.0250(8) Uani 1 1 d .
N1 N 0.5207(3) 0.9137(4) 0.76063(19) 0.0247(10) Uani 1 1 d .
O16 O 1.1905(3) 0.3801(3) 0.92145(14) 0.0184(7) Uani 1 1 d .
O10 O 0.8649(2) 0.7794(3) 0.83874(13) 0.0229(7) Uani 1 1 d .
O4 O 0.7341(3) 0.9051(3) 0.69178(16) 0.0266(8) Uani 1 1 d .
O24 O 0.9567(3) 0.0876(3) 0.90954(14) 0.0210(7) Uani 1 1 d .
O19 O 1.3618(3) 0.3058(3) 0.66059(15) 0.0338(9) Uani 1 1 d .
N4 N 1.1026(3) 0.0993(3) 0.78518(17) 0.0142(8) Uani 1 1 d .
N2 N 0.8337(3) 0.6892(4) 0.71915(18) 0.0220(9) Uani 1 1 d .
O11 O 0.7093(3) 0.5886(3) 0.79072(16) 0.0221(8) Uani 1 1 d .
O15 O 1.1358(3) 0.5142(3) 0.97849(15) 0.0223(7) Uani 1 1 d .
O9 O 1.0247(3) 0.7285(3) 0.89829(15) 0.0236(8) Uani 1 1 d .
O12 O 0.7932(3) 0.4225(3) 0.78578(17) 0.0266(8) Uani 1 1 d .
O3 O 0.6867(3) 1.0747(3) 0.60642(18) 0.0374(10) Uani 1 1 d .
O1 O 0.4940(3) 0.6145(3) 0.57723(19) 0.0400(10) Uani 1 1 d .
O2 O 0.5506(3) 0.7155(3) 0.69152(16) 0.0278(8) Uani 1 1 d .
O7 O 0.6662(3) 1.0544(3) 0.89672(17) 0.0326(9) Uani 1 1 d .
C14 C 1.0078(4) 0.4114(4) 0.6517(2) 0.0178(10) Uani 1 1 d .
C7 C 1.2276(4) 0.1919(4) 0.6951(2) 0.0170(10) Uani 1 1 d .
C23 C 1.2737(4) 0.5650(4) 0.9202(2) 0.0193(11) Uani 1 1 d .
H23A H 1.2314 0.6324 0.9041 0.023 Uiso 1 1 calc R
H23B H 1.3295 0.5888 0.9553 0.023 Uiso 1 1 calc R
C41 C 0.8965(4) 0.8100(5) 0.5797(2) 0.0299(13) Uani 1 1 d .
H41 H 0.9462 0.7523 0.5741 0.036 Uiso 1 1 calc R
C43 C 0.7766(4) 0.8982(4) 0.6429(2) 0.0241(11) Uani 1 1 d .
C6 C 1.1333(4) 0.1194(4) 0.6820(2) 0.0197(10) Uani 1 1 d .
C12 C 1.2319(4) 0.0223(4) 0.9110(2) 0.0170(11) Uani 1 1 d .
C16 C 1.1667(4) 0.5119(4) 0.7115(2) 0.0177(10) Uani 1 1 d .
C21 C 1.3346(4) 0.5205(4) 0.8717(2) 0.0162(10) Uani 1 1 d .
H21 H 1.3798 0.5824 0.8596 0.019 Uiso 1 1 calc R
C26 C 0.4387(5) 0.7111(4) 0.5919(2) 0.0289(12) Uani 1 1 d .
C19 C 1.0180(4) 0.4747(4) 0.6009(2) 0.0243(11) Uani 1 1 d .
H19 H 0.9679 0.4632 0.5641 0.029 Uiso 1 1 calc R
C15 C 1.0833(4) 0.4269(4) 0.7083(2) 0.0160(10) Uani 1 1 d .
C45 C 0.8805(4) 0.5881(4) 0.7556(2) 0.0227(11) Uani 1 1 d .
H45 H 0.9119 0.5357 0.7292 0.027 Uiso 1 1 calc R
C8 C 1.0834(4) 0.0678(4) 0.7297(2) 0.0178(10) Uani 1 1 d .
H8 H 1.0339 0.0073 0.7187 0.021 Uiso 1 1 calc R
C36 C 0.5359(3) 0.7953(5) 0.88235(19) 0.0217(10) Uani 1 1 d .
C24 C 1.1933(4) 0.4808(4) 0.9419(2) 0.0153(10) Uani 1 1 d .
C9 C 1.0495(4) 0.0367(4) 0.8290(2) 0.0175(10) Uani 1 1 d .
H9 H 0.9889 -0.0113 0.8065 0.021 Uiso 1 1 calc R
C30 C 0.4055(4) 0.8556(5) 0.6627(2) 0.0304(13) Uani 1 1 d .
C31 C 0.4689(4) 0.7595(4) 0.6504(2) 0.0259(12) Uani 1 1 d .
C22 C 1.4126(4) 0.4209(4) 0.8968(2) 0.0161(10) Uani 1 1 d .
C2 C 1.2706(4) 0.2338(4) 0.6446(2) 0.0254(11) Uani 1 1 d .
C10 C 0.9994(4) 0.1242(4) 0.8682(2) 0.0138(9) Uani 1 1 d .
C3 C 1.2231(5) 0.2062(5) 0.5863(2) 0.0309(13) Uani 1 1 d .
H3 H 1.2536 0.2346 0.5543 0.037 Uiso 1 1 calc R
C46 C 0.7869(4) 0.5271(4) 0.7790(2) 0.0195(10) Uani 1 1 d .
C33 C 0.5242(4) 0.9792(4) 0.8172(2) 0.0274(12) Uani 1 1 d .
H33 H 0.4812 1.0502 0.8083 0.033 Uiso 1 1 calc R
C48 C 0.9521(4) 0.7172(4) 0.8518(2) 0.0178(10) Uani 1 1 d .
O22 O 1.2972(3) -0.0361(3) 0.94832(15) 0.0205(7) Uani 1 1 d .
C34 C 0.4739(4) 0.9055(5) 0.8609(3) 0.0297(12) Uani 1 1 d .
H34A H 0.3976 0.8860 0.8412 0.036 Uiso 1 1 calc R
H34B H 0.4695 0.9510 0.8967 0.036 Uiso 1 1 calc R
C5 C 1.0856(5) 0.0915(5) 0.6212(2) 0.0275(12) Uani 1 1 d .
H5 H 1.0241 0.0426 0.6130 0.033 Uiso 1 1 calc R
C42 C 0.8509(4) 0.8092(4) 0.6324(2) 0.0233(11) Uani 1 1 d .
C13 C 0.8496(5) 0.3085(6) 0.5967(2) 0.0439(17) Uani 1 1 d .
H13A H 0.8078 0.3762 0.5826 0.066 Uiso 1 1 calc R
H13B H 0.7988 0.2489 0.6029 0.066 Uiso 1 1 calc R
H13C H 0.8914 0.2843 0.5668 0.066 Uiso 1 1 calc R
C44 C 0.8799(4) 0.7136(5) 0.6736(2) 0.0265(12) Uani 1 1 d .
H44 H 0.9370 0.6655 0.6667 0.032 Uiso 1 1 calc R
C4 C 1.1283(5) 0.1353(5) 0.5737(2) 0.0337(13) Uani 1 1 d .
H4 H 1.0948 0.1181 0.5335 0.040 Uiso 1 1 calc R
C17 C 1.1740(4) 0.5753(4) 0.6594(2) 0.0226(11) Uani 1 1 d .
H17 H 1.2284 0.6320 0.6622 0.027 Uiso 1 1 calc R
C18 C 1.1038(4) 0.5565(5) 0.6048(2) 0.0264(12) Uani 1 1 d .
H18 H 1.1125 0.5973 0.5703 0.032 Uiso 1 1 calc R
C25 C 0.6044(6) 0.6326(7) 0.5744(3) 0.058(2) Uani 1 1 d .
H25A H 0.6098 0.6977 0.5490 0.088 Uiso 1 1 calc R
H25B H 0.6334 0.5664 0.5574 0.088 Uiso 1 1 calc R
H25C H 0.6472 0.6463 0.6148 0.088 Uiso 1 1 calc R
C11 C 1.1358(4) -0.0392(4) 0.8698(2) 0.0194(10) Uani 1 1 d .
H11A H 1.0970 -0.0851 0.8952 0.023 Uiso 1 1 calc R
H11B H 1.1672 -0.0912 0.8438 0.023 Uiso 1 1 calc R
C27 C 0.3500(5) 0.7518(5) 0.5490(3) 0.0355(14) Uani 1 1 d .
H27 H 0.3329 0.7180 0.5105 0.043 Uiso 1 1 calc R
C20 C 1.2429(4) 0.5407(4) 0.7691(2) 0.0177(10) Uani 1 1 d .
H20 H 1.2856 0.6070 0.7701 0.021 Uiso 1 1 calc R
C1 C 1.3940(6) 0.3706(6) 0.6127(3) 0.0555(19) Uani 1 1 d .
H1A H 1.4308 0.3214 0.5884 0.083 Uiso 1 1 calc R
H1B H 1.4445 0.4305 0.6300 0.083 Uiso 1 1 calc R
H1C H 1.3284 0.4035 0.5874 0.083 Uiso 1 1 calc R
C47 C 0.9732(4) 0.6239(4) 0.8084(2) 0.0218(11) Uani 1 1 d .
H47A H 0.9965 0.5562 0.8327 0.026 Uiso 1 1 calc R
H47B H 1.0368 0.6476 0.7912 0.026 Uiso 1 1 calc R
C32 C 0.4303(4) 0.9233(5) 0.7196(2) 0.0295(13) Uani 1 1 d .
H32 H 0.3771 0.9764 0.7263 0.035 Uiso 1 1 calc R
C28 C 0.2867(5) 0.8414(6) 0.5621(3) 0.0473(17) Uani 1 1 d .
H28 H 0.2256 0.8670 0.5332 0.057 Uiso 1 1 calc R
C29 C 0.3141(5) 0.8938(6) 0.6187(3) 0.0456(17) Uani 1 1 d .
H29 H 0.2714 0.9551 0.6276 0.055 Uiso 1 1 calc R
C39 C 0.7965(5) 0.9800(5) 0.5448(3) 0.0356(14) Uani 1 1 d .
H39 H 0.7771 1.0361 0.5151 0.043 Uiso 1 1 calc R
C40 C 0.8700(5) 0.8938(5) 0.5358(3) 0.0373(14) Uani 1 1 d .
H40 H 0.9007 0.8927 0.5009 0.045 Uiso 1 1 calc R
C38 C 0.7519(4) 0.9841(4) 0.5964(2) 0.0263(12) Uani 1 1 d .
C35 C 0.6449(4) 1.0056(4) 0.8463(2) 0.0195(10) Uani 1 1 d .
C37 C 0.5699(5) 1.0495(6) 0.5941(3) 0.0552(19) Uani 1 1 d .
H37A H 0.5460 1.0297 0.5518 0.083 Uiso 1 1 calc R
H37B H 0.5289 1.1153 0.6031 0.083 Uiso 1 1 calc R
H37C H 0.5559 0.9866 0.6191 0.083 Uiso 1 1 calc R
Na1 Na 0.89940(12) 0.28180(19) 0.75523(7) 0.0199(3) Uani 1 1 d .
Na2 Na 1.60638(13) 0.31204(15) 1.00677(8) 0.0184(4) Uani 1 1 d .
Na3 Na 1.40007(15) 0.09601(16) 1.01661(9) 0.0215(4) Uani 1 1 d .
Na4 Na 1.05865(15) 0.69120(17) 0.99983(9) 0.0238(4) Uani 1 1 d .
Na5 Na 1.44039(16) 0.33077(18) 0.76472(10) 0.0315(5) Uani 1 1 d .
O25 O 0.8667(2) 0.7569(3) 0.98405(14) 0.0221(8) Uani 1 1 d .
O26 O 1.7539(2) 0.2556(3) 0.95652(15) 0.0271(9) Uani 1 1 d .
O27 O 1.5095(3) 0.1620(3) 0.94843(15) 0.0190(8) Uani 1 1 d .
O28 O 1.2541(3) 0.0700(3) 1.07424(16) 0.0303(9) Uani 1 1 d .
O29 O 1.4908(3) 0.5185(3) 0.75573(19) 0.0395(10) Uani 1 1 d .
O30 O 0.7760(3) 0.1323(3) 0.7361(2) 0.0447(11) Uani 1 1 d .
Na7 Na 0.85380(16) 0.92023(16) 0.91904(9) 0.0230(4) Uani 1 1 d .
O31 O 1.6197(3) 0.2762(5) 0.7903(3) 0.094(2) Uani 1 1 d .
O34 O 0.9288(3) 0.3994(3) 0.93029(17) 0.0322(9) Uani 1 1 d .
H101 H 0.9560 0.3494 0.9098 0.048 Uiso 1 1 d R
H100 H 0.8721 0.3700 0.9414 0.048 Uiso 1 1 d R
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'
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'
Na Na 0.0362 0.0249 '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'
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
O14 Eu01 O20 81.87(11) . .
O14 Eu01 O16 106.31(11) . .
O20 Eu01 O16 153.33(11) . .
O14 Eu01 O21 150.37(11) . .
O20 Eu01 O21 106.37(11) . .
O16 Eu01 O21 79.29(11) . .
O14 Eu01 O18 127.71(10) . .
O20 Eu01 O18 77.49(10) . .
O16 Eu01 O18 77.60(10) . .
O21 Eu01 O18 81.86(10) . .
O14 Eu01 N4 83.28(11) . .
O20 Eu01 N4 71.14(12) . .
O16 Eu01 N4 134.20(12) . .
O21 Eu01 N4 73.16(11) . .
O18 Eu01 N4 131.69(11) . .
O14 Eu01 O23 75.41(10) . .
O20 Eu01 O23 130.17(11) . .
O16 Eu01 O23 76.37(10) . .
O21 Eu01 O23 77.89(10) . .
O18 Eu01 O23 149.47(10) . .
N4 Eu01 O23 62.67(11) . .
O14 Eu01 N3 69.61(11) . .
O20 Eu01 N3 88.93(12) . .
O16 Eu01 N3 71.15(11) . .
O21 Eu01 N3 137.39(11) . .
O18 Eu01 N3 62.57(11) . .
N4 Eu01 N3 148.51(12) . .
O23 Eu01 N3 121.94(11) . .
O14 Eu01 C10 91.24(11) . .
O20 Eu01 C10 120.16(11) . .
O16 Eu01 C10 85.53(11) . .
O21 Eu01 C10 59.78(11) . .
O18 Eu01 C10 140.43(10) . .
N4 Eu01 C10 49.03(12) . .
O23 Eu01 C10 21.68(11) . .
N3 Eu01 C10 143.18(12) . .
O14 Eu01 C22 117.77(12) . .
O20 Eu01 C22 93.14(11) . .
O16 Eu01 C22 60.43(11) . .
O21 Eu01 C22 90.60(11) . .
O18 Eu01 C22 20.96(11) . .
N4 Eu01 C22 152.36(12) . .
O23 Eu01 C22 136.69(10) . .
N3 Eu01 C22 48.23(12) . .
C10 Eu01 C22 139.40(11) . .
O14 Eu01 Na5 95.29(8) . .
O20 Eu01 Na5 38.17(8) . .
O16 Eu01 Na5 115.16(8) . .
O21 Eu01 Na5 108.78(8) . .
O18 Eu01 Na5 43.22(8) . .
N4 Eu01 Na5 108.10(9) . .
O23 Eu01 Na5 167.23(8) . .
N3 Eu01 Na5 60.73(9) . .
C10 Eu01 Na5 155.29(9) . .
C22 Eu01 Na5 55.40(8) . .
O14 Eu01 Na1 36.90(8) . .
O20 Eu01 Na1 99.83(8) . .
O16 Eu01 Na1 101.50(8) . .
O21 Eu01 Na1 113.73(8) . .
O18 Eu01 Na1 164.11(8) . .
N4 Eu01 Na1 59.83(9) . .
O23 Eu01 Na1 40.72(8) . .
N3 Eu01 Na1 101.93(9) . .
C10 Eu01 Na1 54.36(8) . .
C22 Eu01 Na1 147.41(9) . .
Na5 Eu01 Na1 127.79(4) . .
O4 Eu02 O2 86.51(12) . .
O4 Eu02 O10 102.63(12) . .
O2 Eu02 O10 153.23(13) . .
O4 Eu02 O5 150.77(13) . .
O2 Eu02 O5 102.84(12) . .
O10 Eu02 O5 81.49(10) . .
O4 Eu02 O11 135.30(12) . .
O2 Eu02 O11 79.40(12) . .
O10 Eu02 O11 76.48(12) . .
O5 Eu02 O11 73.92(12) . .
O4 Eu02 O8 78.17(13) . .
O2 Eu02 O8 134.43(12) . .
O10 Eu02 O8 72.34(13) . .
O5 Eu02 O8 75.59(14) . .
O11 Eu02 O8 138.93(13) . .
O4 Eu02 N1 86.15(13) . .
O2 Eu02 N1 72.63(13) . .
O10 Eu02 N1 132.39(13) . .
O5 Eu02 N1 70.85(13) . .
O11 Eu02 N1 127.94(13) . .
O8 Eu02 N1 63.80(13) . .
O4 Eu02 N2 71.77(12) . .
O2 Eu02 N2 89.35(13) . .
O10 Eu02 N2 70.33(12) . .
O5 Eu02 N2 134.97(13) . .
O11 Eu02 N2 65.93(12) . .
O8 Eu02 N2 124.50(13) . .
N1 Eu02 N2 152.44(13) . .
O4 Eu02 C35 92.03(12) . .
O2 Eu02 C35 121.29(12) . .
O10 Eu02 C35 83.92(12) . .
O5 Eu02 C35 59.33(13) . .
O11 Eu02 C35 131.41(12) . .
O8 Eu02 C35 20.79(12) . .
N1 Eu02 C35 48.75(13) . .
N2 Eu02 C35 144.96(13) . .
O4 Eu02 Na7 104.86(9) . .
O2 Eu02 Na7 162.96(9) . .
O10 Eu02 Na7 37.24(9) . .
O5 Eu02 Na7 61.17(9) . .
O11 Eu02 Na7 100.10(9) . .
O8 Eu02 Na7 40.17(9) . .
N1 Eu02 Na7 95.16(10) . .
N2 Eu02 Na7 106.11(10) . .
C35 Eu02 Na7 47.06(9) . .
C7 O20 Eu01 129.4(3) . .
C7 O20 Na5 119.3(3) . .
Eu01 O20 Na5 103.88(13) . .
C15 O14 Na1 119.6(3) . .
C15 O14 Eu01 132.3(3) . .
Na1 O14 Eu01 106.13(13) . .
C10 O23 Na1 114.8(3) . .
C10 O23 Eu01 112.3(3) . .
Na1 O23 Eu01 96.56(11) . .
C36 O5 Eu02 141.4(3) . .
C35 O8 Eu02 116.1(3) . .
C35 O8 Na7 92.0(3) . .
Eu02 O8 Na7 102.15(14) . .
C22 O17 Na2 131.1(3) . .
C22 O17 Na3 136.7(3) . 2_857
Na2 O17 Na3 91.09(13) . 2_857
C14 O13 C13 116.8(4) . .
C14 O13 Na1 115.3(3) . .
C13 O13 Na1 126.3(3) . .
C12 O21 Eu01 139.8(3) . .
C12 O21 Na3 80.6(3) . .
Eu01 O21 Na3 136.88(13) . .
C20 N3 C21 118.3(4) . .
C20 N3 Eu01 129.2(3) . .
C21 N3 Eu01 110.8(3) . .
C22 O18 Eu01 115.9(3) . .
C22 O18 Na5 112.1(3) . .
Eu01 O18 Na5 94.79(11) . .
C36 O6 Na3 126.3(3) . 2_757
C36 O6 Na2 130.0(3) . 2_757
Na3 O6 Na2 99.78(14) 2_757 2_757
C32 N1 C33 116.0(4) . .
C32 N1 Eu02 131.7(3) . .
C33 N1 Eu02 112.1(3) . .
C24 O16 Eu01 141.7(3) . .
C48 O10 Eu02 140.2(3) . .
C48 O10 Na7 112.5(3) . .
Eu02 O10 Na7 106.59(13) . .
C43 O4 Eu02 140.0(3) . .
C10 O24 Na7 132.2(3) . 1_545
C10 O24 Na4 125.2(3) . 2_747
Na7 O24 Na4 102.21(13) 1_545 2_747
C2 O19 C1 117.1(4) . .
C2 O19 Na5 118.5(3) . .
C1 O19 Na5 123.9(3) . .
C8 N4 C9 119.0(4) . .
C8 N4 Eu01 129.0(3) . .
C9 N4 Eu01 111.1(3) . .
C44 N2 C45 115.5(4) . .
C44 N2 Eu02 132.7(4) . .
C45 N2 Eu02 111.5(3) . .
C46 O11 Eu02 123.6(3) . .
C24 O15 Na4 135.1(3) . .
C24 O15 Na7 121.9(3) . 2_747
Na4 O15 Na7 98.56(13) . 2_747
C48 O9 Na4 141.5(3) . .
C46 O12 Na1 134.8(3) . .
C38 O3 C37 113.3(5) . .
C25 O1 C26 114.2(5) . .
C31 O2 Eu02 134.6(3) . .
C35 O7 Na7 85.2(3) . .
O13 C14 C19 125.1(4) . .
O13 C14 C15 113.9(4) . .
C19 C14 C15 121.0(4) . .
O20 C7 C6 124.0(4) . .
O20 C7 C2 118.9(4) . .
C6 C7 C2 117.1(4) . .
C21 C23 C24 116.0(4) . .
C40 C41 C42 121.9(5) . .
O4 C43 C42 123.7(5) . .
O4 C43 C38 120.3(5) . .
C42 C43 C38 116.1(5) . .
C5 C6 C7 120.1(5) . .
C5 C6 C8 117.4(5) . .
C7 C6 C8 122.5(4) . .
O22 C12 O21 123.7(5) . .
O22 C12 C11 117.4(4) . .
O21 C12 C11 118.9(4) . .
O22 C12 Na3 50.8(3) . .
O21 C12 Na3 73.8(3) . .
C11 C12 Na3 163.4(3) . .
C17 C16 C15 119.8(4) . .
C17 C16 C20 118.2(4) . .
C15 C16 C20 121.9(4) . .
N3 C21 C23 110.9(4) . .
N3 C21 C22 108.7(4) . .
C23 C21 C22 110.7(4) . .
C27 C26 O1 117.8(5) . .
C27 C26 C31 122.1(5) . .
O1 C26 C31 120.0(5) . .
C14 C19 C18 120.2(5) . .
O14 C15 C16 123.7(4) . .
O14 C15 C14 118.6(4) . .
C16 C15 C14 117.7(4) . .
N2 C45 C47 110.5(4) . .
N2 C45 C46 109.4(4) . .
C47 C45 C46 110.7(4) . .
N4 C8 C6 124.9(4) . .
O6 C36 O5 125.1(5) . .
O6 C36 C34 115.7(4) . .
O5 C36 C34 119.0(4) . .
O15 C24 O16 123.8(4) . .
O15 C24 C23 119.0(4) . .
O16 C24 C23 117.2(4) . .
N4 C9 C11 110.2(4) . .
N4 C9 C10 108.7(4) . .
C11 C9 C10 110.4(4) . .
C29 C30 C31 120.1(5) . .
C29 C30 C32 115.4(5) . .
C31 C30 C32 124.5(5) . .
O2 C31 C26 120.8(5) . .
O2 C31 C30 122.5(5) . .
C26 C31 C30 116.6(5) . .
O17 C22 O18 125.1(4) . .
O17 C22 C21 118.4(4) . .
O18 C22 C21 116.6(4) . .
O17 C22 Eu01 150.0(3) . .
O18 C22 Eu01 43.1(2) . .
C21 C22 Eu01 80.9(2) . .
C3 C2 O19 124.1(5) . .
C3 C2 C7 121.8(5) . .
O19 C2 C7 114.1(4) . .
O24 C10 O23 126.0(4) . .
O24 C10 C9 118.0(4) . .
O23 C10 C9 115.9(4) . .
O24 C10 Eu01 146.6(3) . .
O23 C10 Eu01 46.1(2) . .
C9 C10 Eu01 80.2(2) . .
C2 C3 C4 120.7(5) . .
O12 C46 O11 125.0(5) . .
O12 C46 C45 118.4(4) . .
O11 C46 C45 116.5(4) . .
N1 C33 C35 109.5(4) . .
N1 C33 C34 108.1(4) . .
C35 C33 C34 108.7(4) . .
O9 C48 O10 123.8(4) . .
O9 C48 C47 115.7(4) . .
O10 C48 C47 120.5(4) . .
C12 O22 Na2 160.7(3) . 2_847
C12 O22 Na3 105.1(3) . .
Na2 O22 Na3 93.94(14) 2_847 .
C33 C34 C36 116.4(4) . .
C4 C5 C6 121.0(5) . .
C41 C42 C43 120.3(5) . .
C41 C42 C44 117.0(5) . .
C43 C42 C44 122.7(4) . .
N2 C44 C42 125.8(5) . .
C5 C4 C3 119.3(5) . .
C18 C17 C16 121.8(5) . .
C17 C18 C19 119.3(5) . .
C12 C11 C9 116.0(4) . .
C28 C27 C26 120.8(5) . .
N3 C20 C16 124.6(4) . .
C48 C47 C45 120.0(4) . .
N1 C32 C30 124.3(5) . .
C27 C28 C29 119.6(6) . .
C28 C29 C30 120.7(6) . .
C38 C39 C40 121.5(5) . .
C41 C40 C39 118.6(5) . .
O3 C38 C39 120.3(5) . .
O3 C38 C43 118.0(5) . .
C39 C38 C43 121.6(5) . .
O7 C35 O8 122.8(5) . .
O7 C35 C33 119.4(4) . .
O8 C35 C33 117.8(4) . .
O7 C35 Na7 69.6(3) . .
O8 C35 Na7 62.2(3) . .
C33 C35 Na7 146.5(3) . .
O7 C35 Eu02 147.1(3) . .
O8 C35 Eu02 43.1(2) . .
C33 C35 Eu02 82.0(3) . .
Na7 C35 Eu02 79.14(12) . .
O12 Na1 O14 105.21(14) . .
O12 Na1 O30 102.63(14) . .
O14 Na1 O30 152.04(16) . .
O12 Na1 O23 98.39(13) . .
O14 Na1 O23 77.39(11) . .
O30 Na1 O23 101.11(16) . .
O12 Na1 O13 107.05(15) . .
O14 Na1 O13 66.75(11) . .
O30 Na1 O13 102.55(15) . .
O23 Na1 O13 140.16(12) . .
O12 Na1 Eu01 115.69(11) . .
O14 Na1 Eu01 36.97(8) . .
O30 Na1 Eu01 128.45(14) . .
O23 Na1 Eu01 42.71(8) . .
O13 Na1 Eu01 97.88(9) . .
O22 Na2 O17 88.57(13) 2_857 .
O22 Na2 O27 173.02(14) 2_857 .
O17 Na2 O27 87.34(12) . .
O22 Na2 O6 106.73(13) 2_857 2_747
O17 Na2 O6 104.46(14) . 2_747
O27 Na2 O6 79.79(13) . 2_747
O22 Na2 O26 93.15(13) 2_857 .
O17 Na2 O26 107.59(14) . .
O27 Na2 O26 82.72(12) . .
O6 Na2 O26 142.49(14) 2_747 .
O22 Na2 Na3 44.17(10) 2_857 2_857
O17 Na2 Na3 44.57(9) . 2_857
O27 Na2 Na3 131.08(11) . 2_857
O6 Na2 Na3 115.20(10) 2_747 2_857
O26 Na2 Na3 101.31(10) . 2_857
O22 Na2 Na3 146.54(11) 2_857 .
O17 Na2 Na3 97.90(10) . .
O27 Na2 Na3 39.94(9) . .
O6 Na2 Na3 39.86(9) 2_747 .
O26 Na2 Na3 115.60(10) . .
Na3 Na2 Na3 135.15(6) 2_857 .
O6 Na3 O27 80.54(13) 2_747 .
O6 Na3 O22 172.49(15) 2_747 .
O27 Na3 O22 95.28(13) . .
O6 Na3 O17 100.73(13) 2_747 2_847
O27 Na3 O17 99.24(14) . 2_847
O22 Na3 O17 86.06(13) . 2_847
O6 Na3 O28 97.43(14) 2_747 .
O27 Na3 O28 164.24(15) . .
O22 Na3 O28 84.89(14) . .
O17 Na3 O28 96.50(14) 2_847 .
O6 Na3 O21 123.24(12) 2_747 .
O27 Na3 O21 76.61(12) . .
O22 Na3 O21 49.39(10) . .
O17 Na3 O21 133.69(13) 2_847 .
O28 Na3 O21 91.85(12) . .
O6 Na3 C12 148.69(15) 2_747 .
O27 Na3 C12 88.20(14) . .
O22 Na3 C12 24.08(12) . .
O17 Na3 C12 109.92(14) 2_847 .
O28 Na3 C12 85.61(14) . .
O21 Na3 C12 25.55(11) . .
O6 Na3 Na2 145.05(11) 2_747 2_847
O27 Na3 Na2 102.88(10) . 2_847
O22 Na3 Na2 41.89(9) . 2_847
O17 Na3 Na2 44.33(9) 2_847 2_847
O28 Na3 Na2 87.79(11) . 2_847
O21 Na3 Na2 90.90(8) . 2_847
C12 Na3 Na2 65.95(10) . 2_847
O6 Na3 Na2 40.36(9) 2_747 .
O27 Na3 Na2 40.18(9) . .
O22 Na3 Na2 135.19(11) . .
O17 Na3 Na2 102.84(11) 2_847 .
O28 Na3 Na2 135.87(12) . .
O21 Na3 Na2 102.14(9) . .
C12 Na3 Na2 122.73(11) . .
Na2 Na3 Na2 132.81(6) 2_847 .
O9 Na4 O15 88.08(14) . .
O9 Na4 O24 155.94(15) . 2_757
O15 Na4 O24 80.12(13) . 2_757
O9 Na4 O26 108.17(14) . 2_857
O15 Na4 O26 88.53(13) . 2_857
O24 Na4 O26 92.52(13) 2_757 2_857
O9 Na4 O25 79.41(13) . .
O15 Na4 O25 131.39(14) . .
O24 Na4 O25 92.72(12) 2_757 .
O26 Na4 O25 140.02(14) 2_857 .
O9 Na4 O34 111.04(14) . 2_757
O15 Na4 O34 150.59(13) . 2_757
O24 Na4 O34 88.56(12) 2_757 2_757
O26 Na4 O34 64.77(11) 2_857 2_757
O25 Na4 O34 75.78(12) . 2_757
O9 Na4 Na7 129.20(12) . 2_747
O15 Na4 Na7 42.32(9) . 2_747
O24 Na4 Na7 38.48(9) 2_757 2_747
O26 Na4 Na7 85.09(10) 2_857 2_747
O25 Na4 Na7 121.25(10) . 2_747
O34 Na4 Na7 118.72(10) 2_757 2_747
O9 Na4 Na7 54.98(10) . .
O15 Na4 Na7 139.58(11) . .
O24 Na4 Na7 126.48(10) 2_757 .
O26 Na4 Na7 116.19(11) 2_857 .
O25 Na4 Na7 36.40(8) . .
O34 Na4 Na7 67.94(9) 2_757 .
Na7 Na4 Na7 157.06(6) 2_747 .
O31 Na5 O29 91.85(19) . .
O31 Na5 O20 130.49(19) . .
O29 Na5 O20 137.61(15) . .
O31 Na5 O19 113.6(2) . .
O29 Na5 O19 95.44(16) . .
O20 Na5 O19 68.45(12) . .
O31 Na5 O18 98.47(19) . .
O29 Na5 O18 102.72(15) . .
O20 Na5 O18 76.13(12) . .
O19 Na5 O18 142.49(13) . .
O31 Na5 Eu01 132.93(16) . .
O29 Na5 Eu01 117.00(12) . .
O20 Na5 Eu01 37.95(8) . .
O19 Na5 Eu01 100.49(10) . .
O18 Na5 Eu01 41.99(7) . .
Na7 O25 Na4 106.71(13) . .
Na2 O26 Na4 129.27(15) . 2_847
Na3 O27 Na2 99.89(14) . .
O24 Na7 O25 138.53(14) 1_565 .
O24 Na7 O10 112.54(13) 1_565 .
O25 Na7 O10 84.30(12) . .
O24 Na7 O15 77.78(12) 1_565 2_757
O25 Na7 O15 79.15(12) . 2_757
O10 Na7 O15 162.75(14) . 2_757
O24 Na7 O8 88.36(13) 1_565 .
O25 Na7 O8 132.87(14) . .
O10 Na7 O8 69.09(12) . .
O15 Na7 O8 126.55(14) 2_757 .
O24 Na7 O7 86.83(13) 1_565 .
O25 Na7 O7 121.47(13) . .
O10 Na7 O7 114.72(12) . .
O15 Na7 O7 78.61(12) 2_757 .
O8 Na7 O7 48.95(12) . .
O24 Na7 C35 94.82(14) 1_565 .
O25 Na7 C35 124.01(14) . .
O10 Na7 C35 89.56(13) . .
O15 Na7 C35 103.69(14) 2_757 .
O8 Na7 C35 25.81(13) . .
O7 Na7 C35 25.24(12) . .
O24 Na7 Na4 39.31(9) 1_565 2_757
O25 Na7 Na4 114.26(10) . 2_757
O10 Na7 Na4 151.49(11) . 2_757
O15 Na7 Na4 39.11(8) 2_757 2_757
O8 Na7 Na4 106.73(11) . 2_757
O7 Na7 Na4 75.19(9) . 2_757
C35 Na7 Na4 96.45(11) . 2_757
O24 Na7 Na4 108.40(10) 1_565 .
O25 Na7 Na4 36.89(8) . .
O10 Na7 Na4 75.56(9) . .
O15 Na7 Na4 88.19(10) 2_757 .
O8 Na7 Na4 144.51(11) . .
O7 Na7 Na4 157.39(11) . .
C35 Na7 Na4 155.80(12) . .
Na4 Na7 Na4 105.75(5) 2_757 .
O24 Na7 Eu02 115.63(10) 1_565 .
O25 Na7 Eu02 100.35(9) . .
O10 Na7 Eu02 36.17(7) . .
O15 Na7 Eu02 152.82(10) 2_757 .
O8 Na7 Eu02 37.69(8) . .
O7 Na7 Eu02 78.71(9) . .
C35 Na7 Eu02 53.80(10) . .
Na4 Na7 Eu02 144.04(6) 2_757 .
Na4 Na7 Eu02 107.85(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu01 O14 2.292(3) .
Eu01 O20 2.309(3) .
Eu01 O16 2.349(3) .
Eu01 O21 2.373(3) .
Eu01 O18 2.447(3) .
Eu01 N4 2.492(4) .
Eu01 O23 2.500(3) .
Eu01 N3 2.531(4) .
Eu01 C10 3.213(4) .
Eu01 C22 3.219(5) .
Eu01 Na5 3.645(2) .
Eu01 Na1 3.6607(15) .
Eu02 O4 2.285(4) .
Eu02 O2 2.304(3) .
Eu02 O10 2.398(3) .
Eu02 O5 2.415(3) .
Eu02 O11 2.421(3) .
Eu02 O8 2.435(4) .
Eu02 N1 2.499(4) .
Eu02 N2 2.507(4) .
Eu02 C35 3.199(5) .
Eu02 Na7 3.8933(19) .
O20 C7 1.321(5) .
O20 Na5 2.321(4) .
O14 C15 1.312(5) .
O14 Na1 2.288(3) .
O23 C10 1.283(5) .
O23 Na1 2.404(3) .
O5 C36 1.262(5) .
O8 C35 1.264(6) .
O8 Na7 2.569(4) .
O17 C22 1.238(5) .
O17 Na2 2.350(4) .
O17 Na3 2.360(4) 2_857
O13 C14 1.363(6) .
O13 C13 1.442(5) .
O13 Na1 2.431(4) .
O21 C12 1.278(6) .
O21 Na3 2.847(4) .
N3 C20 1.279(6) .
N3 C21 1.457(6) .
O18 C22 1.280(5) .
O18 Na5 2.505(4) .
O6 C36 1.238(5) .
O6 Na3 2.340(4) 2_757
O6 Na2 2.364(4) 2_757
N1 C32 1.286(6) .
N1 C33 1.472(6) .
O16 C24 1.262(5) .
O10 C48 1.271(6) .
O10 Na7 2.458(4) .
O4 C43 1.301(6) .
O24 C10 1.223(5) .
O24 Na7 2.356(4) 1_545
O24 Na4 2.399(4) 2_747
O19 C2 1.381(6) .
O19 C1 1.429(6) .
O19 Na5 2.348(4) .
N4 C8 1.268(6) .
N4 C9 1.472(6) .
N2 C44 1.288(6) .
N2 C45 1.482(6) .
O11 C46 1.255(6) .
O15 C24 1.240(5) .
O15 Na4 2.361(4) .
O15 Na7 2.519(4) 2_747
O9 C48 1.228(5) .
O9 Na4 2.264(4) .
O12 C46 1.233(6) .
O12 Na1 2.279(4) .
O3 C38 1.369(6) .
O3 C37 1.421(7) .
O1 C25 1.372(8) .
O1 C26 1.388(7) .
O2 C31 1.314(5) .
O7 C35 1.242(6) .
O7 Na7 2.730(4) .
C14 C19 1.381(7) .
C14 C15 1.417(6) .
C7 C6 1.409(7) .
C7 C2 1.422(7) .
C23 C21 1.520(7) .
C23 C24 1.534(6) .
C41 C40 1.378(7) .
C41 C42 1.398(7) .
C43 C42 1.428(7) .
C43 C38 1.433(7) .
C6 C5 1.404(7) .
C6 C8 1.459(7) .
C12 O22 1.236(6) .
C12 C11 1.515(7) .
C12 Na3 2.924(5) .
C16 C17 1.398(6) .
C16 C15 1.410(7) .
C16 C20 1.466(7) .
C21 C22 1.534(6) .
C26 C27 1.376(7) .
C26 C31 1.403(7) .
C19 C18 1.405(7) .
C45 C47 1.518(7) .
C45 C46 1.522(7) .
C36 C34 1.521(7) .
C9 C11 1.528(6) .
C9 C10 1.549(6) .
C30 C29 1.401(7) .
C30 C31 1.420(7) .
C30 C32 1.477(7) .
C2 C3 1.353(7) .
C3 C4 1.401(8) .
C33 C35 1.513(7) .
C33 C34 1.519(7) .
C48 C47 1.515(7) .
O22 Na2 2.250(4) 2_847
O22 Na3 2.348(4) .
C5 C4 1.370(8) .
C42 C44 1.448(7) .
C17 C18 1.358(7) .
C27 C28 1.366(8) .
C28 C29 1.384(8) .
C39 C38 1.370(8) .
C39 C40 1.388(8) .
C35 Na7 2.902(5) .
Na1 O30 2.288(4) .
Na2 O22 2.250(4) 2_857
Na2 O27 2.356(4) .
Na2 O6 2.364(4) 2_747
Na2 O26 2.391(3) .
Na2 Na3 3.362(3) 2_857
Na2 Na3 3.598(2) .
Na3 O6 2.340(4) 2_747
Na3 O27 2.344(4) .
Na3 O17 2.360(4) 2_847
Na3 O28 2.411(4) .
Na3 Na2 3.362(3) 2_847
Na4 O24 2.399(4) 2_757
Na4 O26 2.412(4) 2_857
Na4 O25 2.413(3) .
Na4 O34 2.881(4) 2_757
Na4 Na7 3.700(3) 2_747
Na4 Na7 3.851(3) .
Na5 O31 2.232(5) .
Na5 O29 2.300(4) .
O25 Na7 2.386(4) .
O26 Na4 2.412(4) 2_847
Na7 O24 2.356(4) 1_565
Na7 O15 2.519(4) 2_757
Na7 Na4 3.700(3) 2_757
O34 Na4 2.881(4) 2_747
