#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/93/4339306.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_4339306
loop_
_publ_author_name
'Natrajan, Louise S.'
'Timmins, Phillipa L.'
'Lunn, Matthew'
'Heath, Sarah L.'
_publ_section_title
;
 Luminescent dinuclear lanthanide complexes of 5-Me-HXTA.
;
_journal_issue                   25
_journal_name_full               'Inorganic chemistry'
_journal_page_first              10877
_journal_page_last               10886
_journal_paper_doi               10.1021/ic701366f
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C35.5 H51.5 Eu2 N4 Na4 O31.75'
_chemical_formula_weight         1438.19
_chemical_name_common            'compound 3'
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                99.5200(10)
_cell_angle_beta                 99.0500(10)
_cell_angle_gamma                108.9950(10)
_cell_formula_units_Z            4
_cell_length_a                   16.9434(8)
_cell_length_b                   17.4122(8)
_cell_length_c                   20.3917(9)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.68
_cell_measurement_theta_min      2.21
_cell_volume                     5464.4(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.918
_diffrn_measured_fraction_theta_max 0.918
_diffrn_measurement_device_type  'Bruker CCD 1K Area Diffractometer'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0416
_diffrn_reflns_av_sigmaI/netI    0.0852
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            36584
_diffrn_reflns_theta_full        28.41
_diffrn_reflns_theta_max         28.41
_diffrn_reflns_theta_min         1.79
_exptl_absorpt_coefficient_mu    2.402
_exptl_absorpt_correction_T_max  0.212
_exptl_absorpt_correction_T_min  0.171
_exptl_absorpt_correction_type   semi-empirical
_exptl_absorpt_process_details   'equivalent and repeated reflections'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.748
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             2866
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.102
_refine_diff_density_min         -2.139
_refine_diff_density_rms         0.184
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1453
_refine_ls_number_reflns         25228
_refine_ls_number_restraints     479
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0879
_refine_ls_R_factor_gt           0.0543
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0713P)²+7.1133P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1372
_refine_ls_wR_factor_ref         0.1529
_reflns_number_gt                17477
_reflns_number_total             25228
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic701366f-file001.cif
_cod_data_source_block           ihs44m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C35.50 H51.50 Eu2 N4 Na4 O31.75'
_cod_database_code               4339306
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.15665(2) -0.01480(2) 0.271770(17) 0.01747(8) Uani 1 1 d . . .
Eu2 Eu 0.24632(2) 0.20859(2) 0.380976(17) 0.01734(8) Uani 1 1 d . A .
Eu3 Eu 0.16567(2) -0.37805(2) -0.096621(16) 0.01737(8) Uani 1 1 d . . .
Eu4 Eu 0.25846(2) -0.41870(2) -0.254188(17) 0.01902(8) Uani 1 1 d . . .
Na1 Na 0.64056(18) 0.45744(18) 0.45060(15) 0.0290(7) Uani 1 1 d . . .
Na2 Na 0.03693(18) -0.27804(18) 0.14465(15) 0.0279(6) Uani 1 1 d U . .
Na3 Na 0.15431(19) -0.36967(19) 0.20435(16) 0.0316(6) Uani 1 1 d U . .
Na4 Na -0.0491(2) -0.5799(3) -0.45705(19) 0.0524(10) Uani 1 1 d . . .
Na5 Na 0.4020(4) -0.1164(4) 0.3934(4) 0.118(2) Uani 1 1 d . . .
Na6 Na 0.2601(4) 0.1899(4) 0.7146(3) 0.108(2) Uani 1 1 d . . .
Na7 Na 0.1781(6) -0.4769(6) 0.3751(5) 0.173(4) Uani 1 1 d . . .
Na8 Na 0.0000 0.0000 0.0000 0.077(2) Uani 1 2 d S . .
Na9 Na 0.5422(4) -0.5321(5) -0.3478(4) 0.051(2) Uani 0.50 1 d P . .
N1 N 0.2718(3) -0.0218(4) 0.2015(3) 0.0209(12) Uani 1 1 d . . .
N2 N 0.3561(3) 0.2125(4) 0.4881(3) 0.0229(13) Uani 1 1 d . . .
N4 N 0.1270(3) 0.2666(3) 0.3522(3) 0.0218(12) Uani 1 1 d . . .
N3 N 0.0608(3) -0.1062(4) 0.3382(3) 0.0222(12) Uani 1 1 d . . .
N1A N 0.0626(3) -0.3030(3) -0.1275(3) 0.0174(11) Uani 1 1 d . . .
N11A N 0.3733(4) -0.2796(4) -0.2579(3) 0.0236(13) Uani 1 1 d . . .
N21A N 0.2344(4) -0.5770(4) -0.2800(3) 0.0221(12) Uani 1 1 d . . .
N22A N 0.2752(4) -0.3723(4) 0.0103(3) 0.0242(13) Uani 1 1 d . . .
O13X O 0.1499(7) 0.2583(7) 0.1839(5) 0.0682(15) Uani 0.767(11) 1 d PU A 1
O13Y O 0.219(2) 0.345(2) 0.2226(17) 0.0700(15) Uani 0.233(11) 1 d PU A 2
O1 O 0.2821(3) 0.0981(3) 0.3340(2) 0.0190(10) Uani 1 1 d . . .
O2 O 0.1400(3) -0.1505(3) 0.2114(2) 0.0254(11) Uani 1 1 d . . .
O3 O 0.2009(4) -0.2424(3) 0.1863(3) 0.0342(13) Uani 1 1 d . . .
O4 O 0.1511(3) 0.0464(3) 0.1756(3) 0.0283(11) Uani 1 1 d . . .
O5 O 0.1528(4) 0.0363(5) 0.0663(3) 0.0486(17) Uani 1 1 d . . .
O8 O 0.3910(3) 0.2806(3) 0.3780(2) 0.0221(10) Uani 1 1 d . . .
O9 O 0.5320(3) 0.3277(3) 0.4199(3) 0.0307(12) Uani 1 1 d . . .
O6 O 0.1864(3) 0.1804(3) 0.4750(2) 0.0301(12) Uani 1 1 d . A .
O7 O 0.1934(3) 0.2027(3) 0.5866(3) 0.0340(13) Uani 1 1 d . B .
O10 O 0.1219(3) 0.0879(3) 0.3367(2) 0.0203(10) Uani 1 1 d . . .
O17 O 0.2334(4) 0.2382(4) 0.2697(3) 0.0381(14) Uani 1 1 d . A .
O16 O 0.2754(3) 0.3477(3) 0.4451(3) 0.0315(12) Uani 1 1 d . A .
O15 O 0.2242(3) 0.4359(4) 0.4987(3) 0.0446(16) Uani 1 1 d . . .
O13 O 0.2318(3) -0.0648(3) 0.3548(2) 0.0239(11) Uani 1 1 d . . .
O14 O 0.2371(3) -0.1692(3) 0.4024(3) 0.0300(12) Uani 1 1 d . . .
O12 O 0.0062(3) -0.0620(3) 0.2203(3) 0.0292(12) Uani 1 1 d . . .
O11 O -0.1306(3) -0.1386(4) 0.2113(3) 0.0391(14) Uani 1 1 d . . .
O1A O 0.2099(3) -0.3253(3) -0.1907(2) 0.0185(10) Uani 1 1 d . . .
O2A O 0.1111(3) -0.3251(3) -0.0043(2) 0.0207(10) Uani 1 1 d . . .
O3A O 0.0699(3) -0.2257(3) 0.0469(2) 0.0282(11) Uani 1 1 d . . .
O4A O 0.0324(3) -0.4675(3) -0.1722(2) 0.0235(10) Uani 1 1 d . . .
O5A O -0.1066(3) -0.4941(3) -0.2124(3) 0.0364(14) Uani 1 1 d . . .
O6A O 0.2126(3) -0.3567(3) -0.3418(3) 0.0267(11) Uani 1 1 d . . .
O7A O 0.2260(4) -0.2477(4) -0.3894(3) 0.0367(13) Uani 1 1 d . . .
O8A O 0.3981(3) -0.3932(3) -0.1899(3) 0.0297(12) Uani 1 1 d . . .
O9A O 0.5378(4) -0.3480(5) -0.1813(4) 0.069(2) Uani 1 1 d . . .
O11A O 0.2382(3) -0.4562(3) -0.1494(2) 0.0198(10) Uani 1 1 d . . .
O12A O 0.1142(3) -0.5075(3) -0.3066(3) 0.0264(11) Uani 1 1 d . . .
O13A O 0.0207(3) -0.6280(4) -0.3715(3) 0.0384(14) Uani 1 1 d . . .
O14A O 0.3251(3) -0.4664(3) -0.3405(3) 0.0284(12) Uani 1 1 d . . .
O15A O 0.4006(4) -0.5429(4) -0.3723(3) 0.0421(15) Uani 1 1 d . . .
O16A O 0.2717(3) -0.2443(3) -0.0476(2) 0.0284(12) Uani 1 1 d . . .
O17A O 0.3468(4) -0.1488(4) 0.0463(3) 0.0502(17) Uani 1 1 d . . .
O18A O 0.1226(3) -0.4987(3) -0.0521(2) 0.0248(11) Uani 1 1 d . . .
O19A O 0.1522(4) -0.5819(4) 0.0125(3) 0.0463(16) Uani 1 1 d . . .
O1W O 0.6809(5) 0.3622(4) 0.5140(4) 0.0611(19) Uani 1 1 d . . .
O2W O 0.5798(4) 0.5114(4) 0.5371(4) 0.0511(18) Uani 1 1 d . . .
O3W O -0.1011(4) -0.2859(4) 0.1033(3) 0.0480(16) Uani 1 1 d . . .
O4W O 0.0559(3) -0.4053(3) 0.0945(3) 0.0299(12) Uani 1 1 d . . .
O5W O 0.0250(4) 0.2303(5) 0.5267(3) 0.068(2) Uani 1 1 d . . .
O6W O 0.2088(5) -0.3290(4) 0.3231(3) 0.0563(19) Uani 1 1 d . . .
O7W O 0.3050(4) -0.3711(5) 0.2148(3) 0.0533(18) Uani 1 1 d . . .
O8W O 0.0172(3) -0.3634(3) 0.2308(3) 0.0302(12) Uani 1 1 d . . .
O9W O -0.0074(4) -0.4475(5) -0.3620(4) 0.0585(19) Uani 1 1 d . . .
O10W O -0.0528(4) -0.6737(4) -0.5589(4) 0.0577(19) Uani 1 1 d . . .
O11W O -0.1931(4) -0.7092(5) -0.4744(3) 0.057(2) Uani 1 1 d . . .
O12W O 0.1084(3) -0.4884(4) -0.4663(3) 0.0385(14) Uani 1 1 d . . .
O13W O 0.3090(5) 0.2079(5) 0.1558(4) 0.075(2) Uani 1 1 d . . .
O14W O 0.4909(5) -0.5065(5) 0.1360(4) 0.073(2) Uani 1 1 d . . .
O15W O 0.2412(3) -0.4701(4) 0.2792(3) 0.0430(16) Uani 1 1 d . . .
O16W O 0.6299(6) -0.6068(8) -0.3609(5) 0.117(4) Uani 1 1 d . . .
O17W O -0.0380(6) -0.1348(6) 0.0178(4) 0.083(3) Uani 1 1 d . . .
O18W O -0.0234(6) 0.0470(7) 0.1188(4) 0.092(3) Uani 1 1 d . . .
O19W O 0.5971(6) -0.3900(6) -0.2966(4) 0.082(3) Uani 1 1 d . . .
O20W O -0.1855(8) -0.1481(7) 0.0777(5) 0.112(4) Uani 1 1 d . . .
O21W O 0.5586(8) -0.7547(7) -0.3334(7) 0.141(5) Uani 1 1 d . . .
O22W O 0.1988(7) -0.0009(8) -0.0510(4) 0.111(4) Uani 1 1 d . . .
O23W O 0.3147(7) -0.0751(6) -0.0529(4) 0.097(3) Uani 1 1 d . . .
O24W O 0.2877(5) 0.4386(6) 0.2283(4) 0.0750(15) Uani 1 1 d U . .
O25W O 0.2525(9) -0.6397(11) 0.0881(7) 0.174(7) Uani 1 1 d . . .
O26W O 0.4842(10) 0.0086(9) 0.1002(8) 0.074(5) Uani 0.50 1 d P . .
O1S O 0.1864(6) 0.2013(6) 0.0735(6) 0.127(4) Uani 1 1 d U . .
O2S O 0.5315(9) -0.5955(9) -0.2450(10) 0.080(4) Uani 0.50 1 d PDU . .
O3S O 0.4292(6) 0.2343(7) 0.7405(6) 0.065(2) Uani 0.731(10) 1 d PU B 1
O4S O 0.4876(16) 0.1390(18) 0.7888(16) 0.066(2) Uani 0.269(10) 1 d PU B 2
O5S O 0.4110(13) 0.1381(13) 0.0662(16) 0.139(7) Uani 0.50 1 d PU . .
C1 C 0.3590(4) 0.0900(4) 0.3503(4) 0.0247(6) Uani 1 1 d U . .
C2 C 0.3968(4) 0.0655(4) 0.2986(4) 0.0253(6) Uani 1 1 d U . .
C3 C 0.4755(4) 0.0563(4) 0.3160(4) 0.0262(6) Uani 1 1 d U . .
H3 H 0.5005 0.0403 0.2813 0.031 Uiso 1 1 calc R . .
C4 C 0.5186(4) 0.0703(5) 0.3842(4) 0.0271(6) Uani 1 1 d U . .
C5 C 0.4792(4) 0.0951(4) 0.4352(4) 0.0265(6) Uani 1 1 d U . .
H5 H 0.5062 0.1052 0.4808 0.032 Uiso 1 1 calc R . .
C6 C 0.4012(4) 0.1050(4) 0.4193(4) 0.0254(6) Uani 1 1 d U . .
C7 C 0.6042(4) 0.0589(5) 0.4016(4) 0.0281(8) Uani 1 1 d U . .
H7A H 0.5984 0.0036 0.3794 0.042 Uiso 1 1 calc R . .
H7B H 0.6216 0.0668 0.4501 0.042 Uiso 1 1 calc R . .
H7C H 0.6466 0.0991 0.3861 0.042 Uiso 1 1 calc R . .
C8 C 0.3541(4) 0.0524(4) 0.2248(4) 0.0254(8) Uani 1 1 d U . .
H8A H 0.3425 0.1020 0.2186 0.030 Uiso 1 1 calc R . .
H8B H 0.3933 0.0451 0.1965 0.030 Uiso 1 1 calc R . .
C9 C 0.2871(4) -0.0990(4) 0.2070(4) 0.0242(11) Uani 1 1 d U . .
H9A H 0.3257 -0.0898 0.2504 0.029 Uiso 1 1 calc R . .
H9B H 0.3143 -0.1139 0.1709 0.029 Uiso 1 1 calc R . .
C11 C 0.2039(4) -0.1702(5) 0.2015(4) 0.0243(11) Uani 1 1 d U . .
C10 C 0.2331(5) -0.0278(5) 0.1299(4) 0.0295(12) Uani 1 1 d U . .
H11A H 0.1999 -0.0859 0.1079 0.035 Uiso 1 1 calc R . .
H11B H 0.2783 -0.0082 0.1061 0.035 Uiso 1 1 calc R . .
C12 C 0.1754(5) 0.0227(5) 0.1236(4) 0.0298(12) Uani 1 1 d U . .
C13 C 0.3597(4) 0.1261(4) 0.4764(4) 0.0254(8) Uani 1 1 d U . .
H13A H 0.3017 0.0858 0.4667 0.031 Uiso 1 1 calc R . .
H13B H 0.3908 0.1201 0.5183 0.031 Uiso 1 1 calc R . .
C14 C 0.4411(4) 0.2749(4) 0.4924(4) 0.0241(11) Uani 1 1 d U . .
H14A H 0.4847 0.2548 0.5112 0.029 Uiso 1 1 calc R . .
H14B H 0.4478 0.3261 0.5238 0.029 Uiso 1 1 calc R . .
C16 C 0.4565(4) 0.2948(4) 0.4244(4) 0.0238(11) Uani 1 1 d U . .
C15 C 0.3236(5) 0.2296(5) 0.5503(4) 0.0265(12) Uani 1 1 d U B .
H16A H 0.3473 0.2892 0.5703 0.032 Uiso 1 1 calc R . .
H16B H 0.3433 0.2019 0.5834 0.032 Uiso 1 1 calc R . .
C17 C 0.2274(5) 0.2004(5) 0.5359(4) 0.0265(12) Uani 1 1 d U . .
C18 C 0.0488(4) 0.0774(4) 0.3584(4) 0.0225(6) Uani 1 1 d U . .
C23 C 0.0069(4) 0.1331(4) 0.3518(4) 0.0229(6) Uani 1 1 d U . .
C22 C -0.0703(4) 0.1207(4) 0.3726(4) 0.0235(6) Uani 1 1 d U . .
H23 H -0.0984 0.1578 0.3672 0.028 Uiso 1 1 calc R . .
C21 C -0.1054(4) 0.0546(5) 0.4009(4) 0.0242(6) Uani 1 1 d U . .
C20 C -0.0623(4) -0.0001(5) 0.4086(4) 0.0237(6) Uani 1 1 d U . .
H25 H -0.0853 -0.0451 0.4277 0.028 Uiso 1 1 calc R . .
C19 C 0.0148(4) 0.0111(4) 0.3883(4) 0.0229(6) Uani 1 1 d U . .
C24 C -0.1903(4) 0.0407(5) 0.4223(4) 0.0251(7) Uani 1 1 d U . .
H27A H -0.2233 0.0654 0.3961 0.038 Uiso 1 1 calc R . .
H27B H -0.1794 0.0661 0.4700 0.038 Uiso 1 1 calc R . .
H27C H -0.2217 -0.0181 0.4144 0.038 Uiso 1 1 calc R . .
C30 C 0.0412(4) 0.2043(4) 0.3182(4) 0.0229(7) Uani 1 1 d U . .
H28A H 0.0427 0.1808 0.2721 0.028 Uiso 1 1 calc R . .
H28B H 0.0009 0.2330 0.3149 0.028 Uiso 1 1 calc R . .
C32 C 0.1545(8) 0.3190(8) 0.3033(6) 0.0664(15) Uani 1 1 d U A .
H29A H 0.2012 0.3705 0.3274 0.080 Uiso 1 1 calc R . .
H29B H 0.1072 0.3331 0.2823 0.080 Uiso 1 1 calc R . .
C34 C 0.1838(8) 0.2714(8) 0.2484(6) 0.0679(15) Uani 1 1 d U . .
C31 C 0.1250(4) 0.3177(4) 0.4154(4) 0.0274(12) Uani 1 1 d U A .
H31A H 0.0957 0.2818 0.4425 0.033 Uiso 1 1 calc R . .
H31B H 0.0928 0.3530 0.4050 0.033 Uiso 1 1 calc R . .
C33 C 0.2149(4) 0.3724(5) 0.4566(4) 0.0281(12) Uani 1 1 d U . .
C25 C 0.0622(4) -0.0469(4) 0.4012(4) 0.0227(7) Uani 1 1 d U . .
H33A H 0.1214 -0.0136 0.4238 0.027 Uiso 1 1 calc R . .
H33B H 0.0372 -0.0791 0.4323 0.027 Uiso 1 1 calc R . .
C27 C 0.1004(4) -0.1648(4) 0.3596(4) 0.0242(11) Uani 1 1 d U . .
H34A H 0.0796 -0.2156 0.3239 0.029 Uiso 1 1 calc R . .
H34B H 0.0826 -0.1793 0.4003 0.029 Uiso 1 1 calc R . .
C29 C 0.1971(4) -0.1296(4) 0.3744(4) 0.0245(11) Uani 1 1 d U . .
C26 C -0.0290(4) -0.1513(4) 0.2970(4) 0.0256(11) Uani 1 1 d U . .
H36A H -0.0682 -0.1524 0.3270 0.031 Uiso 1 1 calc R . .
H36B H -0.0360 -0.2086 0.2780 0.031 Uiso 1 1 calc R . .
C28 C -0.0533(4) -0.1131(4) 0.2395(4) 0.0259(11) Uani 1 1 d U . .
C1A C 0.2195(4) -0.2465(4) -0.1964(4) 0.0230(6) Uani 1 1 d U . .
C2A C 0.1517(4) -0.2174(4) -0.1963(4) 0.0230(6) Uani 1 1 d U . .
C3A C 0.1626(5) -0.1376(4) -0.2038(4) 0.0240(6) Uani 1 1 d U . .
H3A H 0.1169 -0.1193 -0.2032 0.029 Uiso 1 1 calc R . .
C4A C 0.2382(5) -0.0841(4) -0.2121(4) 0.0250(6) Uani 1 1 d U . .
C5A C 0.3067(5) -0.1120(4) -0.2103(4) 0.0247(6) Uani 1 1 d U . .
H5A H 0.3591 -0.0762 -0.2145 0.030 Uiso 1 1 calc R . .
C6A C 0.2989(4) -0.1919(4) -0.2025(4) 0.0237(6) Uani 1 1 d U . .
C7A C 0.2474(5) 0.0029(4) -0.2205(4) 0.0266(7) Uani 1 1 d U . .
H7A1 H 0.2761 0.0423 -0.1776 0.040 Uiso 1 1 calc R . .
H7A2 H 0.1916 0.0052 -0.2350 0.040 Uiso 1 1 calc R . .
H7A3 H 0.2802 0.0165 -0.2540 0.040 Uiso 1 1 calc R . .
C8A C 0.0653(4) -0.2755(4) -0.1921(4) 0.0225(8) Uani 1 1 d U . .
H8A1 H 0.0245 -0.2477 -0.1987 0.027 Uiso 1 1 calc R . .
H8A2 H 0.0466 -0.3245 -0.2294 0.027 Uiso 1 1 calc R . .
C9A C 0.0792(5) -0.2332(4) -0.0696(4) 0.0250(11) Uani 1 1 d U . .
H9A1 H 0.0328 -0.2120 -0.0747 0.030 Uiso 1 1 calc R . .
H9A2 H 0.1319 -0.1883 -0.0684 0.030 Uiso 1 1 calc R . .
C10A C 0.0868(5) -0.2629(4) -0.0031(4) 0.0248(11) Uani 1 1 d U . .
C11A C -0.0247(4) -0.3647(4) -0.1361(4) 0.0227(11) Uani 1 1 d U . .
H11C H -0.0665 -0.3448 -0.1586 0.027 Uiso 1 1 calc R . .
H11D H -0.0359 -0.3703 -0.0915 0.027 Uiso 1 1 calc R . .
C12A C -0.0347(4) -0.4486(4) -0.1776(4) 0.0228(11) Uani 1 1 d U . .
C13A C 0.3750(4) -0.2176(4) -0.1972(4) 0.0241(7) Uani 1 1 d U . .
H13C H 0.3797 -0.2410 -0.1575 0.029 Uiso 1 1 calc R . .
H13D H 0.4259 -0.1681 -0.1898 0.029 Uiso 1 1 calc R . .
C14A C 0.3512(5) -0.2523(5) -0.3212(4) 0.0293(12) Uani 1 1 d U . .
H14C H 0.3811 -0.2698 -0.3541 0.035 Uiso 1 1 calc R . .
H14D H 0.3711 -0.1918 -0.3108 0.035 Uiso 1 1 calc R . .
C15A C 0.2565(5) -0.2869(5) -0.3528(4) 0.0292(12) Uani 1 1 d U . .
C16A C 0.4567(4) -0.2890(5) -0.2497(4) 0.0304(13) Uani 1 1 d U . .
H16C H 0.5017 -0.2347 -0.2308 0.037 Uiso 1 1 calc R . .
H16D H 0.4647 -0.3112 -0.2940 0.037 Uiso 1 1 calc R . .
C17A C 0.4636(5) -0.3472(5) -0.2028(4) 0.0308(13) Uani 1 1 d U . .
C21A C 0.2778(5) -0.5021(5) -0.1206(4) 0.0263(7) Uani 1 1 d U . .
C22A C 0.2653(5) -0.5831(5) -0.1567(4) 0.0263(7) Uani 1 1 d U . .
C23A C 0.3051(5) -0.6306(5) -0.1265(4) 0.0276(7) Uani 1 1 d U . .
H23A H 0.2962 -0.6840 -0.1510 0.033 Uiso 1 1 calc R . .
C24A C 0.3581(5) -0.6019(5) -0.0611(4) 0.0289(7) Uani 1 1 d U . .
C25A C 0.3699(5) -0.5213(5) -0.0266(4) 0.0281(7) Uani 1 1 d U . .
H25A H 0.4048 -0.5002 0.0171 0.034 Uiso 1 1 calc R . .
C26A C 0.3320(5) -0.4722(5) -0.0550(4) 0.0270(6) Uani 1 1 d U . .
C27A C 0.4004(5) -0.6554(5) -0.0301(4) 0.0305(8) Uani 1 1 d U . .
H27D H 0.4375 -0.6681 -0.0577 0.046 Uiso 1 1 calc R . .
H27E H 0.3574 -0.7063 -0.0281 0.046 Uiso 1 1 calc R . .
H27F H 0.4334 -0.6258 0.0151 0.046 Uiso 1 1 calc R . .
C28A C 0.2052(5) -0.6192(5) -0.2256(4) 0.0258(8) Uani 1 1 d U . .
H28C H 0.1974 -0.6778 -0.2394 0.031 Uiso 1 1 calc R . .
H28D H 0.1499 -0.6162 -0.2219 0.031 Uiso 1 1 calc R . .
C29A C 0.1658(4) -0.6164(5) -0.3428(4) 0.0264(12) Uani 1 1 d U . .
H29C H 0.1431 -0.6763 -0.3476 0.032 Uiso 1 1 calc R . .
H29D H 0.1892 -0.6054 -0.3822 0.032 Uiso 1 1 calc R . .
C30A C 0.0941(4) -0.5823(5) -0.3402(4) 0.0261(12) Uani 1 1 d U . .
C31A C 0.3141(5) -0.5857(5) -0.2932(4) 0.0283(12) Uani 1 1 d U . .
H31C H 0.3030 -0.6432 -0.3153 0.034 Uiso 1 1 calc R . .
H31D H 0.3557 -0.5714 -0.2503 0.034 Uiso 1 1 calc R . .
C32A C 0.3499(5) -0.5280(5) -0.3390(4) 0.0283(12) Uani 1 1 d U . .
C33A C 0.3487(5) -0.3861(5) -0.0166(4) 0.0267(8) Uani 1 1 d U . .
H33C H 0.3654 -0.3483 -0.0462 0.032 Uiso 1 1 calc R . .
H33D H 0.3971 -0.3709 0.0217 0.032 Uiso 1 1 calc R . .
C34A C 0.3050(5) -0.2884(5) 0.0549(4) 0.0308(13) Uani 1 1 d U . .
H34C H 0.3617 -0.2760 0.0824 0.037 Uiso 1 1 calc R . .
H34D H 0.2668 -0.2870 0.0855 0.037 Uiso 1 1 calc R . .
C35A C 0.3081(5) -0.2227(5) 0.0146(4) 0.0309(13) Uani 1 1 d U . .
C36A C 0.2386(5) -0.4370(5) 0.0458(4) 0.0291(12) Uani 1 1 d U . .
H36C H 0.2164 -0.4138 0.0821 0.035 Uiso 1 1 calc R . .
H36D H 0.2835 -0.4544 0.0665 0.035 Uiso 1 1 calc R . .
C37A C 0.1666(5) -0.5132(5) -0.0018(4) 0.0292(12) Uani 1 1 d U . .
C1S C 0.1093(10) 0.1458(9) 0.1030(10) 0.126(4) Uani 1 1 d U . .
C2S C 0.5492(13) -0.6277(14) -0.1804(11) 0.081(4) Uani 0.50 1 d PDU . .
C3S C 0.4489(7) 0.2042(8) 0.7987(7) 0.066(2) Uani 1 1 d U . .
C5S C 0.455(2) 0.155(2) 0.003(2) 0.138(7) Uani 0.50 1 d PU . .
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'
Na Na 0.0362 0.0249 '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
O10 Eu1 O1 69.28(15) . .
O10 Eu1 O2 157.94(15) . .
O1 Eu1 O2 130.07(16) . .
O10 Eu1 O4 92.00(17) . .
O1 Eu1 O4 91.87(17) . .
O2 Eu1 O4 97.14(18) . .
O10 Eu1 O13 104.37(17) . .
O1 Eu1 O13 72.13(16) . .
O2 Eu1 O13 76.66(17) . .
O4 Eu1 O13 150.65(17) . .
O10 Eu1 O12 80.86(17) . .
O1 Eu1 O12 147.37(17) . .
O2 Eu1 O12 81.97(17) . .
O4 Eu1 O12 75.92(18) . .
O13 Eu1 O12 130.08(17) . .
O10 Eu1 N3 80.91(17) . .
O1 Eu1 N3 118.77(17) . .
O2 Eu1 N3 79.67(17) . .
O4 Eu1 N3 142.72(18) . .
O13 Eu1 N3 65.24(17) . .
O12 Eu1 N3 66.84(18) . .
O10 Eu1 N1 137.64(17) . .
O1 Eu1 N1 75.97(16) . .
O2 Eu1 N1 64.12(17) . .
O4 Eu1 N1 65.26(18) . .
O13 Eu1 N1 86.68(17) . .
O12 Eu1 N1 122.86(18) . .
N3 Eu1 N1 138.69(18) . .
O10 Eu1 C12 110.76(19) . .
O1 Eu1 C12 95.56(17) . .
O2 Eu1 C12 80.52(19) . .
O4 Eu1 C12 19.00(19) . .
O13 Eu1 C12 135.57(19) . .
O12 Eu1 C12 82.65(18) . .
N3 Eu1 C12 145.51(18) . .
N1 Eu1 C12 48.97(19) . .
O10 Eu1 C11 171.24(18) . .
O1 Eu1 C11 110.81(16) . .
O2 Eu1 C11 19.43(16) . .
O4 Eu1 C11 96.73(18) . .
O13 Eu1 C11 67.96(17) . .
O12 Eu1 C11 100.71(18) . .
N3 Eu1 C11 91.75(18) . .
N1 Eu1 C11 48.28(18) . .
C12 Eu1 C11 78.0(2) . .
O10 Eu1 C29 106.13(18) . .
O1 Eu1 C29 89.77(17) . .
O2 Eu1 C29 67.83(18) . .
O4 Eu1 C29 161.13(18) . .
O13 Eu1 C29 18.69(16) . .
O12 Eu1 C29 111.53(18) . .
N3 Eu1 C29 48.71(18) . .
N1 Eu1 C29 97.00(18) . .
C12 Eu1 C29 142.2(2) . .
C11 Eu1 C29 65.22(18) . .
O10 Eu1 Eu2 35.67(10) . .
O1 Eu1 Eu2 34.55(11) . .
O2 Eu1 Eu2 164.59(12) . .
O4 Eu1 Eu2 86.25(13) . .
O13 Eu1 Eu2 93.00(11) . .
O12 Eu1 Eu2 113.41(13) . .
N3 Eu1 Eu2 106.63(13) . .
N1 Eu1 Eu2 104.38(12) . .
C12 Eu1 Eu2 99.85(14) . .
C11 Eu1 Eu2 145.35(12) . .
C29 Eu1 Eu2 105.34(12) . .
O1 Eu2 O6 109.87(18) . .
O1 Eu2 O10 69.85(16) . .
O6 Eu2 O10 74.38(16) . .
O1 Eu2 O8 79.79(16) . .
O6 Eu2 O8 129.56(16) . .
O10 Eu2 O8 147.21(16) . .
O1 Eu2 O17 86.39(19) . .
O6 Eu2 O17 149.83(18) . .
O10 Eu2 O17 88.65(19) . .
O8 Eu2 O17 77.11(18) . .
O1 Eu2 O16 155.10(16) . .
O6 Eu2 O16 78.85(19) . .
O10 Eu2 O16 134.65(16) . .
O8 Eu2 O16 77.04(17) . .
O17 Eu2 O16 97.1(2) . .
O1 Eu2 N4 137.19(17) . .
O6 Eu2 N4 84.41(19) . .
O10 Eu2 N4 76.22(17) . .
O8 Eu2 N4 122.63(17) . .
O17 Eu2 N4 67.16(18) . .
O16 Eu2 N4 65.21(18) . .
O1 Eu2 N2 82.02(18) . .
O6 Eu2 N2 65.73(17) . .
O10 Eu2 N2 118.68(17) . .
O8 Eu2 N2 67.06(16) . .
O17 Eu2 N2 143.72(18) . .
O16 Eu2 N2 80.68(19) . .
N4 Eu2 N2 138.56(19) . .
O1 Eu2 C34 102.6(3) . .
O6 Eu2 C34 132.4(2) . .
O10 Eu2 C34 85.7(3) . .
O8 Eu2 C34 89.2(2) . .
O17 Eu2 C34 18.7(2) . .
O16 Eu2 C34 86.2(3) . .
N4 Eu2 C34 48.6(2) . .
N2 Eu2 C34 154.9(3) . .
O1 Eu2 C17 109.37(18) . .
O6 Eu2 C17 18.37(17) . .
O10 Eu2 C17 90.85(17) . .
O8 Eu2 C17 111.19(17) . .
O17 Eu2 C17 163.0(2) . .
O16 Eu2 C17 71.39(19) . .
N4 Eu2 C17 96.22(19) . .
N2 Eu2 C17 48.79(18) . .
C34 Eu2 C17 144.4(3) . .
O1 Eu2 C33 174.37(17) . .
O6 Eu2 C33 70.3(2) . .
O10 Eu2 C33 115.23(17) . .
O8 Eu2 C33 95.74(17) . .
O17 Eu2 C33 96.0(2) . .
O16 Eu2 C33 19.54(16) . .
N4 Eu2 C33 48.28(19) . .
N2 Eu2 C33 93.11(19) . .
C34 Eu2 C33 80.6(3) . .
C17 Eu2 C33 68.9(2) . .
O1 Eu2 Eu1 35.59(11) . .
O6 Eu2 Eu1 97.58(13) . .
O10 Eu2 Eu1 35.21(11) . .
O8 Eu2 Eu1 112.46(12) . .
O17 Eu2 Eu1 80.81(16) . .
O16 Eu2 Eu1 169.28(12) . .
N4 Eu2 Eu1 104.53(13) . .
N2 Eu2 Eu1 107.24(13) . .
C34 Eu2 Eu1 89.0(2) . .
C17 Eu2 Eu1 108.06(13) . .
C33 Eu2 Eu1 149.84(12) . .
O11A Eu3 O16A 104.81(17) . .
O11A Eu3 O18A 79.34(16) . .
O16A Eu3 O18A 130.75(17) . .
O11A Eu3 O1A 69.83(16) . .
O16A Eu3 O1A 74.84(16) . .
O18A Eu3 O1A 144.96(16) . .
O11A Eu3 O4A 90.85(16) . .
O16A Eu3 O4A 151.29(18) . .
O18A Eu3 O4A 75.17(17) . .
O1A Eu3 O4A 88.73(16) . .
O11A Eu3 O2A 155.03(16) . .
O16A Eu3 O2A 77.11(17) . .
O18A Eu3 O2A 80.94(16) . .
O1A Eu3 O2A 132.94(16) . .
O4A Eu3 O2A 98.76(16) . .
O11A Eu3 N1A 140.07(16) . .
O16A Eu3 N1A 87.02(18) . .
O18A Eu3 N1A 121.42(17) . .
O1A Eu3 N1A 77.15(16) . .
O4A Eu3 N1A 66.15(17) . .
O2A Eu3 N1A 64.33(16) . .
O11A Eu3 N22A 80.79(17) . .
O16A Eu3 N22A 65.77(19) . .
O18A Eu3 N22A 66.68(18) . .
O1A Eu3 N22A 121.96(17) . .
O4A Eu3 N22A 141.81(18) . .
O2A Eu3 N22A 77.42(17) . .
N1A Eu3 N22A 137.33(18) . .
O11A Eu3 C35A 106.99(18) . .
O16A Eu3 C35A 19.44(19) . .
O18A Eu3 C35A 111.58(19) . .
O1A Eu3 C35A 93.48(18) . .
O4A Eu3 C35A 161.67(19) . .
O2A Eu3 C35A 66.69(18) . .
N1A Eu3 C35A 96.59(19) . .
N22A Eu3 C35A 48.8(2) . .
O11A Eu3 C12A 109.67(17) . .
O16A Eu3 C12A 135.35(19) . .
O18A Eu3 C12A 83.66(17) . .
O1A Eu3 C12A 91.20(16) . .
O4A Eu3 C12A 19.33(18) . .
O2A Eu3 C12A 83.06(17) . .
N1A Eu3 C12A 48.35(17) . .
N22A Eu3 C12A 146.51(17) . .
C35A Eu3 C12A 142.3(2) . .
O11A Eu3 Eu4 35.64(11) . .
O16A Eu3 Eu4 95.04(12) . .
O18A Eu3 Eu4 111.01(12) . .
O1A Eu3 Eu4 35.09(11) . .
O4A Eu3 Eu4 83.71(12) . .
O2A Eu3 Eu4 167.99(11) . .
N1A Eu3 Eu4 106.63(12) . .
N22A Eu3 Eu4 107.90(13) . .
C35A Eu3 Eu4 108.26(14) . .
C12A Eu3 Eu4 96.73(13) . .
O1A Eu4 O11A 70.04(16) . .
O1A Eu4 O8A 104.75(17) . .
O11A Eu4 O8A 74.52(16) . .
O1A Eu4 O12A 90.30(17) . .
O11A Eu4 O12A 89.34(16) . .
O8A Eu4 O12A 152.13(18) . .
O1A Eu4 O6A 80.15(17) . .
O11A Eu4 O6A 145.98(17) . .
O8A Eu4 O6A 130.58(17) . .
O12A Eu4 O6A 74.44(17) . .
O1A Eu4 O14A 156.36(16) . .
O11A Eu4 O14A 131.92(17) . .
O8A Eu4 O14A 77.87(18) . .
O12A Eu4 O14A 97.72(17) . .
O6A Eu4 O14A 80.66(18) . .
O1A Eu4 N11A 80.94(17) . .
O11A Eu4 N11A 121.85(17) . .
O8A Eu4 N11A 65.63(19) . .
O12A Eu4 N11A 141.19(19) . .
O6A Eu4 N11A 66.84(18) . .
O14A Eu4 N11A 78.90(17) . .
O1A Eu4 N21A 139.00(16) . .
O11A Eu4 N21A 76.48(16) . .
O8A Eu4 N21A 87.94(18) . .
O12A Eu4 N21A 65.94(18) . .
O6A Eu4 N21A 120.71(17) . .
O14A Eu4 N21A 63.85(17) . .
N11A Eu4 N21A 138.37(18) . .
O1A Eu4 C17A 106.18(18) . .
O11A Eu4 C17A 92.46(18) . .
O8A Eu4 C17A 18.93(19) . .
O12A Eu4 C17A 163.03(19) . .
O6A Eu4 C17A 111.77(19) . .
O14A Eu4 C17A 68.74(19) . .
N11A Eu4 C17A 48.7(2) . .
N21A Eu4 C17A 98.09(19) . .
O1A Eu4 C30A 108.95(18) . .
O11A Eu4 C30A 91.37(16) . .
O8A Eu4 C30A 136.13(19) . .
O12A Eu4 C30A 19.24(19) . .
O6A Eu4 C30A 82.94(17) . .
O14A Eu4 C30A 82.15(18) . .
N11A Eu4 C30A 146.40(18) . .
N21A Eu4 C30A 48.20(19) . .
C17A Eu4 C30A 143.8(2) . .
O1A Eu4 C32A 172.41(16) . .
O11A Eu4 C32A 112.67(18) . .
O8A Eu4 C32A 69.97(19) . .
O12A Eu4 C32A 96.76(18) . .
O6A Eu4 C32A 99.02(19) . .
O14A Eu4 C32A 19.38(18) . .
N11A Eu4 C32A 91.78(18) . .
N21A Eu4 C32A 47.67(18) . .
C17A Eu4 C32A 67.01(19) . .
C30A Eu4 C32A 78.33(19) . .
O1A Eu4 Eu3 35.70(11) . .
O11A Eu4 Eu3 35.24(11) . .
O8A Eu4 Eu3 94.85(13) . .
O12A Eu4 Eu3 83.73(12) . .
O6A Eu4 Eu3 111.91(13) . .
O14A Eu4 Eu3 167.16(13) . .
N11A Eu4 Eu3 107.96(13) . .
N21A Eu4 Eu3 105.72(12) . .
C17A Eu4 Eu3 107.18(14) . .
C30A Eu4 Eu3 96.39(13) . .
C32A Eu4 Eu3 147.84(14) . .
O9 Na1 O15 160.3(3) . 2_666
O9 Na1 O2W 93.7(2) . .
O15 Na1 O2W 90.4(2) 2_666 .
O9 Na1 O14A 99.4(2) . 2_655
O15 Na1 O14A 87.9(2) 2_666 2_655
O2W Na1 O14A 145.3(3) . 2_655
O9 Na1 O1W 70.1(2) . .
O15 Na1 O1W 90.4(3) 2_666 .
O2W Na1 O1W 94.3(3) . .
O14A Na1 O1W 120.3(3) 2_655 .
O9 Na1 O15A 106.7(2) . 2_655
O15 Na1 O15A 92.4(2) 2_666 2_655
O2W Na1 O15A 92.3(2) . 2_655
O14A Na1 O15A 53.25(19) 2_655 2_655
O1W Na1 O15A 172.8(3) . 2_655
O9 Na1 C32A 109.8(2) . 2_655
O15 Na1 C32A 85.0(2) 2_666 2_655
O2W Na1 C32A 117.9(3) . 2_655
O14A Na1 C32A 27.5(2) 2_655 2_655
O1W Na1 C32A 147.5(3) . 2_655
O15A Na1 C32A 26.66(19) 2_655 2_655
O9 Na1 Na9 83.9(2) . 2_655
O15 Na1 Na9 115.8(2) 2_666 2_655
O2W Na1 Na9 75.0(2) . 2_655
O14A Na1 Na9 74.68(18) 2_655 2_655
O1W Na1 Na9 151.3(2) . 2_655
O15A Na1 Na9 29.55(17) 2_655 2_655
C32A Na1 Na9 52.92(19) 2_655 2_655
O9 Na1 Na7 111.0(2) . 2_656
O15 Na1 Na7 50.8(2) 2_666 2_656
O2W Na1 Na7 80.4(2) . 2_656
O14A Na1 Na7 123.1(2) 2_655 2_656
O1W Na1 Na7 42.6(2) . 2_656
O15A Na1 Na7 141.9(2) 2_655 2_656
C32A Na1 Na7 133.6(2) 2_655 2_656
Na9 Na1 Na7 152.08(19) 2_655 2_656
O3W Na2 O2 119.7(3) . .
O3W Na2 O3A 86.0(2) . .
O2 Na2 O3A 86.78(19) . .
O3W Na2 O4W 110.1(2) . .
O2 Na2 O4W 129.5(2) . .
O3A Na2 O4W 88.77(19) . .
O3W Na2 O8W 102.2(2) . .
O2 Na2 O8W 101.1(2) . .
O3A Na2 O8W 163.5(2) . .
O4W Na2 O8W 75.00(19) . .
O3W Na2 O3 169.5(2) . .
O2 Na2 O3 52.42(18) . .
O3A Na2 O3 86.7(2) . .
O4W Na2 O3 77.14(19) . .
O8W Na2 O3 86.82(19) . .
O3W Na2 C11 144.5(3) . .
O2 Na2 C11 27.27(19) . .
O3A Na2 C11 81.1(2) . .
O4W Na2 C11 102.5(2) . .
O8W Na2 C11 99.3(2) . .
O3 Na2 C11 26.13(19) . .
O3W Na2 Na3 146.5(2) . .
O2 Na2 Na3 88.39(17) . .
O3A Na2 Na3 115.59(17) . .
O4W Na2 Na3 49.47(15) . .
O8W Na2 Na3 50.99(14) . .
O3 Na2 Na3 43.94(14) . .
C11 Na2 Na3 67.63(18) . .
O3 Na3 O5A 174.5(3) . 2_545
O3 Na3 O6W 95.9(2) . .
O5A Na3 O6W 89.1(2) 2_545 .
O3 Na3 O4W 85.1(2) . .
O5A Na3 O4W 91.1(2) 2_545 .
O6W Na3 O4W 160.3(3) . .
O3 Na3 O8W 95.6(2) . .
O5A Na3 O8W 87.2(2) 2_545 .
O6W Na3 O8W 85.7(2) . .
O4W Na3 O8W 74.6(2) . .
O3 Na3 O7W 89.1(2) . .
O5A Na3 O7W 89.6(2) 2_545 .
O6W Na3 O7W 77.8(2) . .
O4W Na3 O7W 121.9(2) . .
O8W Na3 O7W 163.3(2) . .
O3 Na3 C12A 156.2(2) . 2_545
O5A Na3 C12A 21.19(18) 2_545 2_545
O6W Na3 C12A 104.8(2) . 2_545
O4W Na3 C12A 71.46(19) . 2_545
O8W Na3 C12A 74.68(19) . 2_545
O7W Na3 C12A 106.5(2) . 2_545
O3 Na3 Na2 54.80(17) . .
O5A Na3 Na2 124.86(18) 2_545 .
O6W Na3 Na2 115.9(2) . .
O4W Na3 Na2 49.46(15) . .
O8W Na3 Na2 50.41(15) . .
O7W Na3 Na2 141.1(2) . .
C12A Na3 Na2 104.45(17) 2_545 .
O13A Na4 O10W 101.5(3) . .
O13A Na4 O12W 171.8(3) . 2_544
O10W Na4 O12W 85.0(3) . 2_544
O13A Na4 O9W 84.0(2) . .
O10W Na4 O9W 161.6(3) . .
O12W Na4 O9W 88.3(2) 2_544 .
O13A Na4 O11W 90.7(2) . .
O10W Na4 O11W 75.9(2) . .
O12W Na4 O11W 95.7(2) 2_544 .
O9W Na4 O11W 122.0(3) . .
O13A Na4 O12W 86.2(2) . .
O10W Na4 O12W 86.1(2) . .
O12W Na4 O12W 89.4(2) 2_544 .
O9W Na4 O12W 76.6(2) . .
O11W Na4 O12W 160.7(3) . .
O13A Na4 Na7 99.2(3) . 2_545
O10W Na4 Na7 140.3(3) . 2_545
O12W Na4 Na7 78.3(2) 2_544 2_545
O9W Na4 Na7 53.9(2) . 2_545
O11W Na4 Na7 70.3(2) . 2_545
O12W Na4 Na7 128.9(2) . 2_545
O13A Na4 Na4 127.5(2) . 2_544
O10W Na4 Na4 83.8(2) . 2_544
O12W Na4 Na4 47.79(16) 2_544 2_544
O9W Na4 Na4 79.0(2) . 2_544
O11W Na4 Na4 139.9(2) . 2_544
O12W Na4 Na4 41.58(15) . 2_544
Na7 Na4 Na4 109.3(2) 2_545 2_544
O14 Na5 O21W 110.5(4) . 2_645
O3S Na6 O7 112.4(3) . .
O3S Na6 O11 135.7(4) . 2_556
O7 Na6 O11 111.8(3) . 2_556
O15W Na7 O9W 122.2(4) . 2_545
O15W Na7 O6W 61.9(3) . .
O9W Na7 O6W 109.1(4) 2_545 .
O15W Na7 O1W 102.2(4) . 2_656
O9W Na7 O1W 134.4(5) 2_545 2_656
O6W Na7 O1W 81.4(3) . 2_656
O15W Na7 Na4 146.3(4) . 2_545
O9W Na7 Na4 50.1(2) 2_545 2_545
O6W Na7 Na4 88.4(3) . 2_545
O1W Na7 Na4 87.5(3) 2_656 2_545
O15W Na7 Na1 110.3(3) . 2_656
O9W Na7 Na1 122.4(3) 2_545 2_656
O6W Na7 Na1 115.3(3) . 2_656
O1W Na7 Na1 34.84(19) 2_656 2_656
Na4 Na7 Na1 96.1(3) 2_545 2_656
O17W Na8 O17W 180.0(4) 2 .
O17W Na8 O5 89.3(3) 2 .
O17W Na8 O5 90.7(3) . .
O17W Na8 O5 90.7(3) 2 2
O17W Na8 O5 89.3(3) . 2
O5 Na8 O5 180.0(4) . 2
O17W Na8 O18W 87.7(3) 2 2
O17W Na8 O18W 92.3(3) . 2
O5 Na8 O18W 97.2(2) . 2
O5 Na8 O18W 82.8(2) 2 2
O17W Na8 O18W 92.3(3) 2 .
O17W Na8 O18W 87.7(3) . .
O5 Na8 O18W 82.8(2) . .
O5 Na8 O18W 97.2(2) 2 .
O18W Na8 O18W 180.0(4) 2 .
O17W Na8 C1S 56.7(4) 2 .
O17W Na8 C1S 123.3(4) . .
O5 Na8 C1S 50.1(3) . .
O5 Na8 C1S 129.9(3) 2 .
O18W Na8 C1S 126.7(5) 2 .
O18W Na8 C1S 53.3(5) . .
O17W Na8 C1S 123.3(4) 2 2
O17W Na8 C1S 56.7(4) . 2
O5 Na8 C1S 129.9(3) . 2
O5 Na8 C1S 50.1(3) 2 2
O18W Na8 C1S 53.3(5) 2 2
O18W Na8 C1S 126.7(5) . 2
C1S Na8 C1S 180.0(9) . 2
O16W Na9 O15A 142.8(5) . .
O16W Na9 O19W 121.5(4) . .
O15A Na9 O19W 95.6(4) . .
O16W Na9 O2S 80.3(5) . .
O15A Na9 O2S 95.2(4) . .
O19W Na9 O2S 101.5(5) . .
O16W Na9 O2W 84.4(4) . 1_544
O15A Na9 O2W 96.6(3) . 1_544
O19W Na9 O2W 86.9(3) . 1_544
O2S Na9 O2W 164.8(5) . 1_544
O16W Na9 Na1 144.4(4) . 2_655
O15A Na9 Na1 32.6(2) . 2_655
O19W Na9 Na1 79.9(3) . 2_655
O2S Na9 Na1 126.1(4) . 2_655
O2W Na9 Na1 67.5(2) 1_544 2_655
C9 N1 C10 109.5(6) . .
C9 N1 C8 110.8(5) . .
C10 N1 C8 109.3(5) . .
C9 N1 Eu1 106.3(4) . .
C10 N1 Eu1 106.7(4) . .
C8 N1 Eu1 114.0(4) . .
C14 N2 C15 111.8(5) . .
C14 N2 C13 110.3(5) . .
C15 N2 C13 110.0(6) . .
C14 N2 Eu2 110.3(4) . .
C15 N2 Eu2 109.5(4) . .
C13 N2 Eu2 104.6(4) . .
C31 N4 C30 111.2(5) . .
C31 N4 C32 110.7(7) . .
C30 N4 C32 106.8(7) . .
C31 N4 Eu2 106.9(4) . .
C30 N4 Eu2 116.1(4) . .
C32 N4 Eu2 105.0(5) . .
C27 N3 C26 111.6(5) . .
C27 N3 C25 108.1(5) . .
C26 N3 C25 110.5(5) . .
C27 N3 Eu1 109.0(4) . .
C26 N3 Eu1 111.8(4) . .
C25 N3 Eu1 105.6(4) . .
C9A N1A C8A 111.7(5) . .
C9A N1A C11A 109.3(5) . .
C8A N1A C11A 106.7(5) . .
C9A N1A Eu3 107.8(4) . .
C8A N1A Eu3 115.1(4) . .
C11A N1A Eu3 105.9(4) . .
C16A N11A C14A 112.0(6) . .
C16A N11A C13A 108.7(6) . .
C14A N11A C13A 109.9(6) . .
C16A N11A Eu4 109.0(4) . .
C14A N11A Eu4 111.9(4) . .
C13A N11A Eu4 105.2(4) . .
C31A N21A C29A 109.3(6) . .
C31A N21A C28A 111.9(6) . .
C29A N21A C28A 107.3(5) . .
C31A N21A Eu4 107.7(4) . .
C29A N21A Eu4 106.3(4) . .
C28A N21A Eu4 114.0(4) . .
C36A N22A C34A 111.8(6) . .
C36A N22A C33A 110.1(6) . .
C34A N22A C33A 109.5(6) . .
C36A N22A Eu3 111.8(4) . .
C34A N22A Eu3 108.2(5) . .
C33A N22A Eu3 105.2(4) . .
C34 O13Y O24W 154(3) . .
C1 O1 Eu2 126.0(4) . .
C1 O1 Eu1 122.7(4) . .
Eu2 O1 Eu1 109.86(17) . .
C11 O2 Na2 94.6(4) . .
C11 O2 Eu1 122.1(4) . .
Na2 O2 Eu1 143.0(2) . .
C11 O3 Na3 147.2(5) . .
C11 O3 Na2 84.4(4) . .
Na3 O3 Na2 81.3(2) . .
C12 O4 Eu1 122.6(5) . .
C12 O5 Na8 126.8(5) . .
C16 O8 Eu2 126.1(4) . .
C16 O9 Na1 139.3(5) . .
C17 O6 Eu2 125.4(4) . .
C17 O7 Na6 126.4(5) . .
C18 O10 Eu1 126.8(4) . .
C18 O10 Eu2 122.8(4) . .
Eu1 O10 Eu2 109.12(17) . .
C34 O17 Eu2 122.6(7) . .
C33 O16 Eu2 121.2(4) . .
C33 O15 Na1 123.2(5) . 2_666
C29 O13 Eu1 123.4(5) . .
C29 O14 Na5 111.6(5) . .
C28 O12 Eu1 125.5(5) . .
C28 O11 Na6 121.5(5) . 2_556
C1A O1A Eu4 127.1(4) . .
C1A O1A Eu3 122.5(4) . .
Eu4 O1A Eu3 109.20(18) . .
C10A O2A Eu3 122.7(4) . .
C10A O3A Na2 126.3(5) . .
C12A O4A Eu3 122.3(4) . .
C12A O5A Na3 116.9(5) . 2_545
C15A O6A Eu4 125.2(5) . .
C17A O8A Eu4 122.4(5) . .
C21A O11A Eu3 126.5(4) . .
C21A O11A Eu4 123.2(4) . .
Eu3 O11A Eu4 109.12(18) . .
C30A O12A Eu4 122.7(5) . .
C30A O13A Na4 117.4(5) . .
C32A O14A Eu4 121.8(5) . .
C32A O14A Na1 91.2(4) . 2_655
Eu4 O14A Na1 146.6(3) . 2_655
C32A O15A Na9 135.8(6) . .
C32A O15A Na1 87.5(5) . 2_655
Na9 O15A Na1 117.9(3) . 2_655
C35A O16A Eu3 121.7(5) . .
C37A O18A Eu3 125.8(5) . .
Na1 O1W Na7 102.5(3) . 2_656
Na1 O2W Na9 133.7(4) . 1_566
Na2 O4W Na3 81.06(19) . .
Na3 O6W Na7 108.2(3) . .
Na2 O8W Na3 78.60(17) . .
Na4 O9W Na7 76.0(3) . 2_545
Na4 O12W Na4 90.6(2) 2_544 .
C2S O2S Na9 165.8(11) . .
C3S O3S Na6 104.1(7) . .
O1 C1 C2 119.7(7) . .
O1 C1 C6 120.7(6) . .
C2 C1 C6 119.5(7) . .
C3 C2 C1 119.2(7) . .
C3 C2 C8 120.7(7) . .
C1 C2 C8 120.1(6) . .
C2 C3 C4 122.4(7) . .
C5 C4 C3 117.1(7) . .
C5 C4 C7 121.7(7) . .
C3 C4 C7 121.2(7) . .
C6 C5 C4 121.7(7) . .
C5 C6 C1 120.1(7) . .
C5 C6 C13 118.9(7) . .
C1 C6 C13 120.9(6) . .
N1 C8 C2 113.1(6) . .
N1 C9 C11 111.2(6) . .
O3 C11 O2 123.8(7) . .
O3 C11 C9 119.4(7) . .
O2 C11 C9 116.8(6) . .
O3 C11 Na2 69.5(4) . .
O2 C11 Na2 58.1(3) . .
C9 C11 Na2 156.8(5) . .
O3 C11 Eu1 157.8(5) . .
O2 C11 Eu1 38.5(3) . .
C9 C11 Eu1 80.4(4) . .
Na2 C11 Eu1 96.5(2) . .
N1 C10 C12 112.7(6) . .
O4 C12 O5 123.8(8) . .
O4 C12 C10 117.9(7) . .
O5 C12 C10 118.3(7) . .
O4 C12 Eu1 38.4(4) . .
O5 C12 Eu1 157.0(6) . .
C10 C12 Eu1 81.1(4) . .
N2 C13 C6 114.9(6) . .
N2 C14 C16 114.5(6) . .
O9 C16 O8 125.0(7) . .
O9 C16 C14 117.9(6) . .
O8 C16 C14 117.0(6) . .
N2 C15 C17 112.7(6) . .
O6 C17 O7 124.1(7) . .
O6 C17 C15 118.5(6) . .
O7 C17 C15 117.2(7) . .
O6 C17 Eu2 36.2(3) . .
O7 C17 Eu2 156.8(6) . .
C15 C17 Eu2 83.0(4) . .
O10 C18 C23 120.2(6) . .
O10 C18 C19 120.6(6) . .
C23 C18 C19 119.2(6) . .
C18 C23 C22 120.1(7) . .
C18 C23 C30 120.3(6) . .
C22 C23 C30 119.5(6) . .
C21 C22 C23 121.3(7) . .
C22 C21 C20 118.4(6) . .
C22 C21 C24 121.0(7) . .
C20 C21 C24 120.6(6) . .
C21 C20 C19 121.3(7) . .
C18 C19 C20 119.7(7) . .
C18 C19 C25 120.7(6) . .
C20 C19 C25 119.6(6) . .
N4 C30 C23 116.6(6) . .
N4 C32 C34 109.7(9) . .
O17 C34 O13X 122.8(12) . .
O17 C34 O13Y 117.1(16) . .
O13X C34 O13Y 69.1(15) . .
O17 C34 C32 115.1(10) . .
O13X C34 C32 121.5(10) . .
O13Y C34 C32 92.5(16) . .
O17 C34 Eu2 38.8(5) . .
O13X C34 Eu2 152.0(9) . .
O13Y C34 Eu2 133.8(16) . .
C32 C34 Eu2 78.4(6) . .
N4 C31 C33 111.7(6) . .
O15 C33 O16 124.6(7) . .
O15 C33 C31 118.8(7) . .
O16 C33 C31 116.6(6) . .
O15 C33 Eu2 161.0(6) . .
O16 C33 Eu2 39.2(3) . .
C31 C33 Eu2 78.2(4) . .
N3 C25 C19 114.5(6) . .
N3 C27 C29 113.2(6) . .
O14 C29 O13 124.3(7) . .
O14 C29 C27 118.0(6) . .
O13 C29 C27 117.5(6) . .
O14 C29 Eu1 157.1(5) . .
O13 C29 Eu1 37.9(3) . .
C27 C29 Eu1 81.0(4) . .
N3 C26 C28 114.1(6) . .
O11 C28 O12 124.8(7) . .
O11 C28 C26 116.6(6) . .
O12 C28 C26 118.4(6) . .
O1A C1A C2A 121.3(6) . .
O1A C1A C6A 120.2(6) . .
C2A C1A C6A 118.5(7) . .
C3A C2A C1A 120.1(6) . .
C3A C2A C8A 120.2(7) . .
C1A C2A C8A 119.6(6) . .
C4A C3A C2A 122.6(7) . .
C3A C4A C5A 117.5(7) . .
C3A C4A C7A 121.0(7) . .
C5A C4A C7A 121.5(6) . .
C6A C5A C4A 121.9(6) . .
C5A C6A C1A 119.3(7) . .
C5A C6A C13A 120.1(6) . .
C1A C6A C13A 120.5(6) . .
N1A C8A C2A 115.3(6) . .
N1A C9A C10A 109.4(6) . .
O3A C10A O2A 125.3(7) . .
O3A C10A C9A 118.9(7) . .
O2A C10A C9A 115.8(6) . .
N1A C11A C12A 111.3(6) . .
O5A C12A O4A 125.5(7) . .
O5A C12A C11A 118.1(7) . .
O4A C12A C11A 116.4(6) . .
O5A C12A Na3 41.9(4) . 2_545
O4A C12A Na3 93.1(4) . 2_545
C11A C12A Na3 138.3(5) . 2_545
O5A C12A Eu3 163.5(5) . .
O4A C12A Eu3 38.4(3) . .
C11A C12A Eu3 78.0(4) . .
Na3 C12A Eu3 124.1(2) 2_545 .
C6A C13A N11A 115.1(6) . .
N11A C14A C15A 113.2(6) . .
O7A C15A O6A 124.1(7) . .
O7A C15A C14A 118.9(7) . .
O6A C15A C14A 116.9(7) . .
N11A C16A C17A 111.0(6) . .
O8A C17A O9A 123.4(8) . .
O8A C17A C16A 119.7(7) . .
O9A C17A C16A 116.8(7) . .
O8A C17A Eu4 38.7(4) . .
O9A C17A Eu4 157.9(6) . .
C16A C17A Eu4 82.0(4) . .
O11A C21A C26A 122.3(7) . .
O11A C21A C22A 119.8(7) . .
C26A C21A C22A 117.9(7) . .
C23A C22A C21A 119.7(7) . .
C23A C22A C28A 120.3(7) . .
C21A C22A C28A 120.0(7) . .
C22A C23A C24A 122.8(7) . .
C23A C24A C25A 116.4(7) . .
C23A C24A C27A 121.2(7) . .
C25A C24A C27A 122.3(7) . .
C26A C25A C24A 122.5(7) . .
C25A C26A C21A 120.7(7) . .
C25A C26A C33A 120.1(7) . .
C21A C26A C33A 119.2(7) . .
N21A C28A C22A 114.4(6) . .
N21A C29A C30A 110.6(6) . .
O13A C30A O12A 124.2(7) . .
O13A C30A C29A 118.3(7) . .
O12A C30A C29A 117.6(6) . .
O13A C30A Eu4 161.9(6) . .
O12A C30A Eu4 38.0(3) . .
C29A C30A Eu4 79.6(4) . .
N21A C31A C32A 109.5(6) . .
O15A C32A O14A 123.7(7) . .
O15A C32A C31A 119.2(7) . .
O14A C32A C31A 117.1(6) . .
O15A C32A Na1 65.9(4) . 2_655
O14A C32A Na1 61.3(4) . 2_655
C31A C32A Na1 160.0(5) . 2_655
O15A C32A Eu4 158.7(5) . .
O14A C32A Eu4 38.8(3) . .
C31A C32A Eu4 79.7(4) . .
Na1 C32A Eu4 100.0(2) 2_655 .
C26A C33A N22A 116.1(6) . .
N22A C34A C35A 111.8(6) . .
O17A C35A O16A 123.7(8) . .
O17A C35A C34A 116.7(7) . .
O16A C35A C34A 119.6(7) . .
O17A C35A Eu3 157.7(6) . .
O16A C35A Eu3 38.8(3) . .
C34A C35A Eu3 82.3(4) . .
N22A C36A C37A 112.5(6) . .
O19A C37A O18A 125.1(8) . .
O19A C37A C36A 118.9(7) . .
O18A C37A C36A 115.9(7) . .
O1S C1S Na8 110.2(11) . .
O3S C3S O4S 115.5(15) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 O10 2.333(5) .
Eu1 O1 2.366(4) .
Eu1 O2 2.381(5) .
Eu1 O4 2.385(5) .
Eu1 O13 2.403(5) .
Eu1 O12 2.405(5) .
Eu1 N3 2.594(6) .
Eu1 N1 2.618(6) .
Eu1 C12 3.236(7) .
Eu1 C11 3.241(7) .
Eu1 C29 3.267(7) .
Eu1 Eu2 3.8237(5) .
Eu2 O1 2.306(5) .
Eu2 O6 2.355(5) .
Eu2 O10 2.360(4) .
Eu2 O8 2.379(4) .
Eu2 O17 2.402(5) .
Eu2 O16 2.407(5) .
Eu2 N4 2.571(6) .
Eu2 N2 2.613(6) .
Eu2 C34 3.233(11) .
Eu2 C17 3.248(7) .
Eu2 C33 3.255(7) .
Eu3 O11A 2.354(5) .
Eu3 O16A 2.365(5) .
Eu3 O18A 2.369(5) .
Eu3 O1A 2.382(4) .
Eu3 O4A 2.392(5) .
Eu3 O2A 2.404(5) .
Eu3 N1A 2.563(6) .
Eu3 N22A 2.596(6) .
Eu3 C35A 3.207(7) .
Eu3 C12A 3.257(7) .
Eu3 Eu4 3.8545(5) .
Eu4 O1A 2.346(5) .
Eu4 O11A 2.377(5) .
Eu4 O8A 2.380(5) .
Eu4 O12A 2.383(5) .
Eu4 O6A 2.389(5) .
Eu4 O14A 2.410(5) .
Eu4 N11A 2.587(6) .
Eu4 N21A 2.600(6) .
Eu4 C17A 3.214(7) .
Eu4 C30A 3.254(7) .
Eu4 C32A 3.268(8) .
Na1 O9 2.311(5) .
Na1 O15 2.370(6) 2_666
Na1 O2W 2.389(7) .
Na1 O14A 2.424(6) 2_655
Na1 O1W 2.461(8) .
Na1 O15A 2.523(7) 2_655
Na1 C32A 2.762(8) 2_655
Na1 Na9 4.141(9) 2_655
Na1 Na7 4.206(11) 2_656
Na2 O3W 2.308(7) .
Na2 O2 2.359(5) .
Na2 O3A 2.396(6) .
Na2 O4W 2.424(6) .
Na2 O8W 2.477(6) .
Na2 O3 2.605(6) .
Na2 C11 2.769(7) .
Na2 Na3 3.151(4) .
Na3 O3 2.212(6) .
Na3 O5A 2.287(6) 2_545
Na3 O6W 2.349(7) .
Na3 O4W 2.425(6) .
Na3 O8W 2.498(6) .
Na3 O7W 2.536(7) .
Na3 C12A 3.053(7) 2_545
Na4 O13A 2.371(7) .
Na4 O10W 2.400(8) .
Na4 O12W 2.401(7) 2_544
Na4 O9W 2.569(9) .
Na4 O11W 2.653(8) .
Na4 O12W 2.680(7) .
Na4 Na7 3.250(12) 2_545
Na4 Na4 3.618(8) 2_544
Na5 O14 2.689(8) .
Na5 O21W 2.703(12) 2_645
Na6 O3S 2.653(11) .
Na6 O7 2.750(9) .
Na6 O11 2.847(8) 2_556
Na7 O15W 2.373(12) .
Na7 O9W 2.707(11) 2_545
Na7 O6W 2.869(11) .
Na7 O1W 2.917(12) 2_656
Na7 Na4 3.250(12) 2_545
Na7 Na1 4.206(11) 2_656
Na8 O17W 2.330(9) 2
Na8 O17W 2.330(9) .
Na8 O5 2.546(6) .
Na8 O5 2.546(6) 2
Na8 O18W 2.560(9) 2
Na8 O18W 2.560(9) .
Na8 C1S 2.870(15) .
Na8 C1S 2.870(15) 2
Na9 O16W 2.289(15) .
Na9 O15A 2.310(9) .
Na9 O19W 2.327(13) .
Na9 O2S 2.53(2) .
Na9 O2W 2.690(10) 1_544
Na9 Na1 4.141(9) 2_655
N1 C9 1.467(9) .
N1 C10 1.475(9) .
N1 C8 1.503(8) .
N2 C14 1.474(8) .
N2 C15 1.485(9) .
N2 C13 1.506(9) .
N4 C31 1.451(9) .
N4 C30 1.476(8) .
N4 C32 1.488(12) .
N3 C27 1.477(9) .
N3 C26 1.497(8) .
N3 C25 1.502(9) .
N1A C9A 1.465(9) .
N1A C8A 1.477(8) .
N1A C11A 1.482(8) .
N11A C16A 1.462(9) .
N11A C14A 1.483(10) .
N11A C13A 1.491(9) .
N21A C31A 1.467(9) .
N21A C29A 1.478(9) .
N21A C28A 1.489(9) .
N22A C36A 1.461(9) .
N22A C34A 1.466(9) .
N22A C33A 1.509(9) .
O13X C34 1.300(14) .
O13Y C34 1.45(4) .
O13Y O24W 1.64(4) .
O1 C1 1.352(8) .
O2 C11 1.272(8) .
O3 C11 1.225(9) .
O4 C12 1.251(9) .
O5 C12 1.256(9) .
O8 C16 1.266(8) .
O9 C16 1.244(8) .
O6 C17 1.256(9) .
O7 C17 1.261(8) .
O10 C18 1.346(8) .
O17 C34 1.229(12) .
O16 C33 1.273(8) .
O15 C33 1.231(9) .
O15 Na1 2.370(6) 2_666
O13 C29 1.255(8) .
O14 C29 1.254(9) .
O12 C28 1.271(8) .
O11 C28 1.241(8) .
O11 Na6 2.847(8) 2_556
O1A C1A 1.354(8) .
O2A C10A 1.275(8) .
O3A C10A 1.239(8) .
O4A C12A 1.276(8) .
O5A C12A 1.237(8) .
O5A Na3 2.287(6) 2_545
O6A C15A 1.280(9) .
O7A C15A 1.250(10) .
O8A C17A 1.235(8) .
O9A C17A 1.271(10) .
O11A C21A 1.347(9) .
O12A C30A 1.274(9) .
O13A C30A 1.236(8) .
O14A C32A 1.276(9) .
O14A Na1 2.424(6) 2_655
O15A C32A 1.240(9) .
O15A Na1 2.523(7) 2_655
O16A C35A 1.255(9) .
O17A C35A 1.243(9) .
O18A C37A 1.280(9) .
O19A C37A 1.234(9) .
O1W Na7 2.917(12) 2_656
O2W Na9 2.690(10) 1_566
O9W Na7 2.707(12) 2_545
O12W Na4 2.401(7) 2_544
O21W Na5 2.703(12) 2_645
O1S C1S 1.62(2) .
O2S C2S 1.5403(10) .
O3S C3S 1.409(15) .
O4S C3S 1.49(3) .
O5S C5S 1.61(5) .
C1 C2 1.396(10) .
C1 C6 1.414(10) .
C2 C3 1.393(10) .
C2 C8 1.507(10) .
C3 C4 1.407(11) .
C4 C5 1.404(10) .
C4 C7 1.522(10) .
C5 C6 1.384(10) .
C6 C13 1.506(10) .
C9 C11 1.517(9) .
C10 C12 1.517(11) .
C14 C16 1.524(10) .
C15 C17 1.504(10) .
C18 C23 1.389(10) .
C18 C19 1.394(10) .
C23 C22 1.399(9) .
C23 C30 1.510(10) .
C22 C21 1.376(10) .
C21 C20 1.390(10) .
C21 C24 1.525(9) .
C20 C19 1.396(9) .
C19 C25 1.511(10) .
C32 C34 1.524(16) .
C31 C33 1.524(10) .
C27 C29 1.509(9) .
C26 C28 1.508(11) .
C1A C2A 1.399(10) .
C1A C6A 1.411(9) .
C2A C3A 1.379(10) .
C2A C8A 1.510(9) .
C3A C4A 1.372(9) .
C4A C5A 1.395(10) .
C4A C7A 1.513(10) .
C5A C6A 1.393(10) .
C6A C13A 1.490(10) .
C9A C10A 1.531(10) .
C11A C12A 1.505(10) .
C12A Na3 3.053(7) 2_545
C14A C15A 1.507(11) .
C16A C17A 1.523(11) .
C21A C26A 1.407(10) .
C21A C22A 1.410(10) .
C22A C23A 1.385(10) .
C22A C28A 1.500(10) .
C23A C24A 1.395(10) .
C24A C25A 1.396(11) .
C24A C27A 1.505(10) .
C25A C26A 1.372(11) .
C26A C33A 1.485(10) .
C29A C30A 1.519(11) .
C31A C32A 1.531(10) .
C32A Na1 2.762(8) 2_655
C34A C35A 1.507(11) .
C36A C37A 1.530(11) .
