# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Na2EuL4
_database_code_depnum_ccdc_archive 'CCDC 1957161'
loop_
_audit_author_name
_audit_author_address
'yen hoang pham'
;University of Wroclaw
Poland
;
_audit_update_record             
;
2019-10-02 deposited with the CCDC.	2020-06-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'2(Na 1+), Eu 3+, 4(C17 H13 N3 O2 P 1-), C F3 S O3 1-, C3 H7 N O'
_chemical_formula_sum            'C72 H59 Eu F3 N13 Na2 O12 P4 S'
_chemical_formula_weight         1709.20

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'
P P 0.1023 0.0942 '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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.295(4)
_cell_length_b                   16.041(5)
_cell_length_c                   16.224(4)
_cell_angle_alpha                92.14(2)
_cell_angle_beta                 97.31(2)
_cell_angle_gamma                109.56(2)
_cell_volume                     3706.7(18)
_cell_formula_units_Z            2
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    9763
_cell_measurement_theta_min      2.8583
_cell_measurement_theta_max      28.8241

_exptl_crystal_description       tabular
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.531
_exptl_crystal_F_000             1732
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.190
_exptl_absorpt_coefficient_mu    1.050
_shelx_estimated_absorpt_T_min   0.757
_shelx_estimated_absorpt_T_max   0.825
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.812
_exptl_absorpt_correction_T_max  0.851
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      120(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_measurement_device_type  'Xcalibur, Sapphire2, large Be window'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 8.3359
_diffrn_reflns_number            28443
_diffrn_reflns_av_unetI/netI     0.1162
_diffrn_reflns_av_R_equivalents  0.0634
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.858
_diffrn_reflns_theta_max         28.824
_diffrn_reflns_theta_full        25.500
_diffrn_measured_fraction_theta_max 0.885
_diffrn_measured_fraction_theta_full 0.980
_diffrn_reflns_Laue_measured_fraction_max 0.885
_diffrn_reflns_Laue_measured_fraction_full 0.980
_diffrn_reflns_point_group_measured_fraction_max 0.885
_diffrn_reflns_point_group_measured_fraction_full 0.980
_reflns_number_total             17154
_reflns_number_gt                12784
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_structure_solution    'SHELXS-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Diamond 3.0d (Crystal Impact, 2005)'
_computing_publication_material  'WinGX 2014 (Farrugia, 2014)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0611P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         17154
_refine_ls_number_parameters     975
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0922
_refine_ls_R_factor_gt           0.0643
_refine_ls_wR_factor_ref         0.1534
_refine_ls_wR_factor_gt          0.1336
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_restrained_S_all      1.014
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.78677(2) 0.74543(2) 0.72839(2) 0.01520(8) Uani 1 1 d . . . . .
Na1 Na 0.66425(13) 0.51129(13) 0.73154(12) 0.0200(4) Uani 1 1 d . . . . .
Na2 Na 0.59790(13) 0.66906(13) 0.84472(12) 0.0203(4) Uani 1 1 d . . . . .
S1T S 0.61306(10) 0.38430(10) 0.86910(9) 0.0284(3) Uani 1 1 d . . . . .
F1T F 0.5456(3) 0.2704(3) 0.7378(2) 0.0544(11) Uani 1 1 d . . . . .
F2T F 0.5939(3) 0.2165(3) 0.8465(3) 0.0582(11) Uani 1 1 d . . . . .
F3T F 0.4631(3) 0.2415(3) 0.8377(3) 0.0588(12) Uani 1 1 d . . . . .
C1T C 0.5515(5) 0.2732(4) 0.8204(4) 0.0381(15) Uani 1 1 d . . . . .
O1T O 0.6125(3) 0.3737(3) 0.9564(2) 0.0356(10) Uani 1 1 d . . . . .
O2T O 0.5570(3) 0.4350(3) 0.8331(3) 0.0391(11) Uani 1 1 d . . . . .
O3T O 0.7023(3) 0.4077(3) 0.8409(3) 0.0426(11) Uani 1 1 d . . . . .
O1D O 0.4415(2) 0.6116(3) 0.7977(3) 0.0299(9) Uani 1 1 d . . . . .
N1D N 0.2904(3) 0.6019(3) 0.7974(3) 0.0248(10) Uani 1 1 d . . . . .
C1D C 0.3769(4) 0.6146(4) 0.8342(4) 0.0252(12) Uani 1 1 d . . . . .
H1D H 0.3899 0.6269 0.8931 0.030 Uiso 1 1 calc R U . . .
C2D C 0.2171(4) 0.6018(5) 0.8460(4) 0.0376(15) Uani 1 1 d . . . . .
H2D1 H 0.2419 0.6085 0.9056 0.056 Uiso 1 1 calc R U . . .
H2D2 H 0.1646 0.5456 0.8330 0.056 Uiso 1 1 calc R U . . .
H2D3 H 0.1953 0.6512 0.8323 0.056 Uiso 1 1 calc R U . . .
C3D C 0.2628(4) 0.5754(5) 0.7094(4) 0.0412(16) Uani 1 1 d . . . . .
H3D1 H 0.3185 0.5803 0.6834 0.062 Uiso 1 1 calc R U . . .
H3D2 H 0.2313 0.6141 0.6837 0.062 Uiso 1 1 calc R U . . .
H3D3 H 0.2198 0.5138 0.7013 0.062 Uiso 1 1 calc R U . . .
P1 P 0.90752(9) 0.73670(9) 0.56174(8) 0.0173(3) Uani 1 1 d . . . . .
P2 P 0.94771(9) 0.66294(9) 0.84676(8) 0.0174(3) Uani 1 1 d . . . . .
P3 P 0.87493(9) 0.96985(9) 0.80199(8) 0.0181(3) Uani 1 1 d . . . . .
P4 P 0.59891(9) 0.80561(9) 0.62492(8) 0.0179(3) Uani 1 1 d . . . . .
O1P O 0.8503(2) 0.7806(2) 0.6047(2) 0.0171(7) Uani 1 1 d . . . . .
O2P O 0.9270(2) 0.7223(2) 0.7839(2) 0.0183(7) Uani 1 1 d . . . . .
O3P O 0.8912(2) 0.8897(2) 0.7645(2) 0.0191(7) Uani 1 1 d . . . . .
O4P O 0.7002(2) 0.8256(2) 0.6597(2) 0.0209(8) Uani 1 1 d . . . . .
O1C O 0.7770(2) 0.6075(2) 0.6593(2) 0.0190(8) Uani 1 1 d . . . . .
O2C O 0.7447(2) 0.6367(2) 0.8358(2) 0.0168(7) Uani 1 1 d . . . . .
O3C O 0.7224(2) 0.8021(2) 0.8372(2) 0.0181(7) Uani 1 1 d . . . . .
O4C O 0.6216(2) 0.6450(2) 0.7006(2) 0.0178(7) Uani 1 1 d . . . . .
N1P N 0.8817(3) 0.6306(3) 0.5627(3) 0.0189(9) Uani 1 1 d . . . . .
N2P N 0.8799(3) 0.6338(3) 0.9178(2) 0.0170(9) Uani 1 1 d . . . . .
N3P N 0.7905(3) 0.9566(3) 0.8571(3) 0.0185(9) Uani 1 1 d . . . . .
N4P N 0.5328(3) 0.7014(3) 0.6053(3) 0.0189(9) Uani 1 1 d . . . . .
N11 N 0.7248(3) 0.4313(3) 0.6288(3) 0.0245(10) Uani 1 1 d . . . . .
N12 N 0.7874(3) 0.3613(3) 0.4951(3) 0.0308(11) Uani 1 1 d . . . . .
N21 N 0.6539(3) 0.6152(3) 0.9707(3) 0.0205(9) Uani 1 1 d . . . . .
N22 N 0.7419(3) 0.5836(3) 1.1229(3) 0.0317(11) Uani 1 1 d . . . . .
N31 N 0.5873(3) 0.8080(3) 0.9275(3) 0.0209(9) Uani 1 1 d . . . . .
N32 N 0.6032(3) 0.9707(3) 1.0103(3) 0.0248(10) Uani 1 1 d . . . . .
N41 N 0.5133(3) 0.4774(3) 0.6395(3) 0.0239(10) Uani 1 1 d . . . . .
N42 N 0.3467(3) 0.4504(3) 0.5310(3) 0.0303(11) Uani 1 1 d . . . . .
C1N C 0.8171(3) 0.5818(3) 0.6051(3) 0.0185(10) Uani 1 1 d . . . . .
C2N C 0.7911(3) 0.6271(3) 0.9038(3) 0.0155(10) Uani 1 1 d . . . . .
C3N C 0.7289(3) 0.8790(3) 0.8666(3) 0.0155(10) Uani 1 1 d . . . . .
C4N C 0.5527(3) 0.6374(3) 0.6422(3) 0.0168(10) Uani 1 1 d . . . . .
C11 C 0.7865(3) 0.4827(3) 0.5845(3) 0.0182(10) Uani 1 1 d . . . . .
C12 C 0.8174(4) 0.4465(4) 0.5190(3) 0.0247(12) Uani 1 1 d . . . . .
H12 H 0.8626 0.4856 0.4903 0.030 Uiso 1 1 calc R U . . .
C13 C 0.7252(4) 0.3101(4) 0.5401(4) 0.0350(14) Uani 1 1 d . . . . .
H13 H 0.7012 0.2477 0.5260 0.042 Uiso 1 1 calc R U . . .
C14 C 0.6949(4) 0.3442(4) 0.6056(4) 0.0329(14) Uani 1 1 d . . . . .
H14 H 0.6513 0.3046 0.6354 0.040 Uiso 1 1 calc R U . . .
C21 C 0.7403(3) 0.6111(3) 0.9790(3) 0.0168(10) Uani 1 1 d . . . . .
C22 C 0.7835(4) 0.5955(4) 1.0544(3) 0.0269(12) Uani 1 1 d . . . . .
H22 H 0.8450 0.5932 1.0575 0.032 Uiso 1 1 calc R U . . .
C23 C 0.6542(4) 0.5869(4) 1.1127(4) 0.0299(13) Uani 1 1 d . . . . .
H23 H 0.6207 0.5776 1.1589 0.036 Uiso 1 1 calc R U . . .
C24 C 0.6116(4) 0.6031(4) 1.0389(3) 0.0281(13) Uani 1 1 d . . . . .
H24 H 0.5502 0.6058 1.0358 0.034 Uiso 1 1 calc R U . . .
C31 C 0.6574(3) 0.8835(3) 0.9206(3) 0.0185(10) Uani 1 1 d . . . . .
C32 C 0.6651(4) 0.9630(4) 0.9625(3) 0.0238(12) Uani 1 1 d . . . . .
H32 H 0.7170 1.0144 0.9569 0.029 Uiso 1 1 calc R U . . .
C33 C 0.5324(4) 0.8953(4) 1.0155(3) 0.0259(12) Uani 1 1 d . . . . .
H33 H 0.4854 0.8970 1.0480 0.031 Uiso 1 1 calc R U . . .
C34 C 0.5252(4) 0.8156(4) 0.9757(3) 0.0248(12) Uani 1 1 d . . . . .
H34 H 0.4742 0.7640 0.9827 0.030 Uiso 1 1 calc R U . . .
C41 C 0.4885(3) 0.5451(3) 0.6122(3) 0.0173(10) Uani 1 1 d . . . . .
C42 C 0.4072(4) 0.5308(4) 0.5580(3) 0.0241(12) Uani 1 1 d . . . . .
H42 H 0.3935 0.5809 0.5387 0.029 Uiso 1 1 calc R U . . .
C43 C 0.3701(4) 0.3826(4) 0.5582(4) 0.0300(13) Uani 1 1 d . . . . .
H43 H 0.3290 0.3238 0.5408 0.036 Uiso 1 1 calc R U . . .
C44 C 0.4524(4) 0.3951(4) 0.6111(4) 0.0296(13) Uani 1 1 d . . . . .
H44 H 0.4670 0.3446 0.6282 0.036 Uiso 1 1 calc R U . . .
C1B C 1.0292(3) 0.7906(3) 0.6048(3) 0.0185(10) Uani 1 1 d . . . . .
C2B C 1.0973(4) 0.7521(4) 0.5943(3) 0.0238(12) Uani 1 1 d . . . . .
H2B H 1.0797 0.6955 0.5644 0.029 Uiso 1 1 calc R U . . .
C3B C 1.1904(4) 0.7969(4) 0.6276(3) 0.0246(12) Uani 1 1 d . . . . .
H3B H 1.2362 0.7701 0.6215 0.030 Uiso 1 1 calc R U . . .
C4B C 1.2168(4) 0.8794(4) 0.6693(3) 0.0240(12) Uani 1 1 d . . . . .
H4B H 1.2811 0.9102 0.6902 0.029 Uiso 1 1 calc R U . . .
C5B C 1.1502(4) 0.9180(4) 0.6810(4) 0.0287(13) Uani 1 1 d . . . . .
H5B H 1.1686 0.9747 0.7110 0.034 Uiso 1 1 calc R U . . .
C6B C 1.0564(4) 0.8737(3) 0.6490(3) 0.0228(11) Uani 1 1 d . . . . .
H6B H 1.0107 0.9001 0.6573 0.027 Uiso 1 1 calc R U . . .
C1E C 0.8979(3) 0.7565(4) 0.4529(3) 0.0227(11) Uani 1 1 d . . . . .
C2E C 0.9166(4) 0.8430(4) 0.4309(4) 0.0307(13) Uani 1 1 d . . . . .
H2E H 0.9358 0.8911 0.4728 0.037 Uiso 1 1 calc R U . . .
C3E C 0.9070(5) 0.8584(5) 0.3475(4) 0.0407(16) Uani 1 1 d . . . . .
H3E H 0.9200 0.9174 0.3323 0.049 Uiso 1 1 calc R U . . .
C4E C 0.8792(5) 0.7901(5) 0.2869(4) 0.0389(16) Uani 1 1 d . . . . .
H4E H 0.8728 0.8015 0.2299 0.047 Uiso 1 1 calc R U . . .
C5E C 0.8607(5) 0.7059(5) 0.3081(4) 0.0428(17) Uani 1 1 d . . . . .
H5E H 0.8412 0.6587 0.2653 0.051 Uiso 1 1 calc R U . . .
C6E C 0.8693(4) 0.6868(4) 0.3908(3) 0.0318(14) Uani 1 1 d . . . . .
H6E H 0.8560 0.6273 0.4047 0.038 Uiso 1 1 calc R U . . .
C1F C 1.0621(3) 0.7180(3) 0.9054(3) 0.0204(11) Uani 1 1 d . . . . .
C2F C 1.0925(4) 0.6877(4) 0.9784(3) 0.0244(12) Uani 1 1 d . . . . .
H2F H 1.0511 0.6379 1.0002 0.029 Uiso 1 1 calc R U . . .
C3F C 1.1828(4) 0.7290(4) 1.0201(4) 0.0304(13) Uani 1 1 d . . . . .
H3F H 1.2028 0.7077 1.0704 0.037 Uiso 1 1 calc R U . . .
C4F C 1.2432(4) 0.8005(4) 0.9888(4) 0.0316(14) Uani 1 1 d . . . . .
H4F H 1.3054 0.8280 1.0169 0.038 Uiso 1 1 calc R U . . .
C5F C 1.2136(4) 0.8330(4) 0.9157(4) 0.0293(13) Uani 1 1 d . . . . .
H5F H 1.2552 0.8831 0.8946 0.035 Uiso 1 1 calc R U . . .
C6F C 1.1234(4) 0.7920(3) 0.8742(3) 0.0246(12) Uani 1 1 d . . . . .
H6F H 1.1029 0.8139 0.8245 0.030 Uiso 1 1 calc R U . . .
C1G C 0.9538(3) 0.5623(3) 0.7975(3) 0.0188(11) Uani 1 1 d . . . . .
C2G C 0.9943(4) 0.5681(4) 0.7248(3) 0.0233(12) Uani 1 1 d . . . . .
H2G H 1.0168 0.6237 0.7019 0.028 Uiso 1 1 calc R U . . .
C3G C 1.0019(4) 0.4926(4) 0.6856(3) 0.0272(12) Uani 1 1 d . . . . .
H3G H 1.0295 0.4966 0.6360 0.033 Uiso 1 1 calc R U . . .
C4G C 0.9694(4) 0.4122(4) 0.7191(4) 0.0365(15) Uani 1 1 d . . . . .
H4G H 0.9741 0.3606 0.6923 0.044 Uiso 1 1 calc R U . . .
C5G C 0.9301(4) 0.4067(4) 0.7911(4) 0.0409(16) Uani 1 1 d . . . . .
H5G H 0.9090 0.3514 0.8147 0.049 Uiso 1 1 calc R U . . .
C6G C 0.9211(4) 0.4816(4) 0.8299(4) 0.0293(13) Uani 1 1 d . . . . .
H6G H 0.8923 0.4769 0.8789 0.035 Uiso 1 1 calc R U . . .
C1H C 0.8543(4) 1.0379(4) 0.7213(3) 0.0223(11) Uani 1 1 d . . . . .
C2H C 0.8364(4) 1.1154(4) 0.7395(4) 0.0322(14) Uani 1 1 d . . . . .
H2H H 0.8341 1.1333 0.7955 0.039 Uiso 1 1 calc R U . . .
C3H C 0.8219(5) 1.1665(4) 0.6758(4) 0.0437(17) Uani 1 1 d . . . . .
H3H H 0.8098 1.2195 0.6885 0.052 Uiso 1 1 calc R U . . .
C4H C 0.8247(5) 1.1414(4) 0.5937(4) 0.0427(17) Uani 1 1 d . . . . .
H4H H 0.8162 1.1774 0.5504 0.051 Uiso 1 1 calc R U . . .
C5H C 0.8402(5) 1.0632(5) 0.5764(4) 0.0404(16) Uani 1 1 d . . . . .
H5H H 0.8405 1.0444 0.5202 0.048 Uiso 1 1 calc R U . . .
C6H C 0.8555(4) 1.0113(4) 0.6396(4) 0.0323(14) Uani 1 1 d . . . . .
H6H H 0.8667 0.9579 0.6267 0.039 Uiso 1 1 calc R U . . .
C1K C 0.9809(4) 1.0376(3) 0.8680(3) 0.0229(11) Uani 1 1 d . . . . .
C2K C 1.0630(4) 1.0232(4) 0.8574(3) 0.0236(12) Uani 1 1 d . . . . .
H2K H 1.0614 0.9757 0.8198 0.028 Uiso 1 1 calc R U . . .
C3K C 1.1478(4) 1.0781(4) 0.9016(4) 0.0313(13) Uani 1 1 d . . . . .
H3K H 1.2045 1.0687 0.8941 0.038 Uiso 1 1 calc R U . . .
C4K C 1.1493(4) 1.1463(4) 0.9564(4) 0.0332(14) Uani 1 1 d . . . . .
H4K H 1.2073 1.1849 0.9859 0.040 Uiso 1 1 calc R U . . .
C5K C 1.0669(5) 1.1588(4) 0.9687(4) 0.0425(17) Uani 1 1 d . . . . .
H5K H 1.0680 1.2049 1.0078 0.051 Uiso 1 1 calc R U . . .
C6K C 0.9834(4) 1.1046(4) 0.9244(4) 0.0346(15) Uani 1 1 d . . . . .
H6K H 0.9267 1.1135 0.9328 0.042 Uiso 1 1 calc R U . . .
C1M C 0.5425(3) 0.8564(3) 0.6925(3) 0.0191(11) Uani 1 1 d . . . . .
C2M C 0.5867(4) 0.9451(4) 0.7223(3) 0.0254(12) Uani 1 1 d . . . . .
H2M H 0.6439 0.9787 0.7041 0.031 Uiso 1 1 calc R U . . .
C3M C 0.5481(4) 0.9848(4) 0.7780(4) 0.0302(13) Uani 1 1 d . . . . .
H3M H 0.5785 1.0454 0.7979 0.036 Uiso 1 1 calc R U . . .
C4M C 0.4655(4) 0.9358(4) 0.8048(4) 0.0329(14) Uani 1 1 d . . . . .
H4M H 0.4388 0.9631 0.8428 0.039 Uiso 1 1 calc R U . . .
C5M C 0.4211(4) 0.8471(4) 0.7763(4) 0.0336(14) Uani 1 1 d . . . . .
H5M H 0.3646 0.8136 0.7955 0.040 Uiso 1 1 calc R U . . .
C6M C 0.4592(4) 0.8072(4) 0.7199(4) 0.0274(13) Uani 1 1 d . . . . .
H6M H 0.4285 0.7466 0.7000 0.033 Uiso 1 1 calc R U . . .
C1Q C 0.5920(4) 0.8518(3) 0.5261(3) 0.0239(12) Uani 1 1 d . . . . .
C2Q C 0.6634(4) 0.8583(4) 0.4792(4) 0.0327(14) Uani 1 1 d . . . . .
H2Q H 0.7153 0.8415 0.5009 0.039 Uiso 1 1 calc R U . . .
C3Q C 0.6592(5) 0.8892(4) 0.4006(4) 0.0417(16) Uani 1 1 d . . . . .
H3Q H 0.7078 0.8933 0.3681 0.050 Uiso 1 1 calc R U . . .
C4Q C 0.5837(5) 0.9141(5) 0.3697(4) 0.0476(18) Uani 1 1 d . . . . .
H4Q H 0.5802 0.9347 0.3156 0.057 Uiso 1 1 calc R U . . .
C5Q C 0.5138(5) 0.9093(4) 0.4170(4) 0.0449(17) Uani 1 1 d . . . . .
H5Q H 0.4630 0.9277 0.3959 0.054 Uiso 1 1 calc R U . . .
C6Q C 0.5172(4) 0.8778(4) 0.4947(4) 0.0336(14) Uani 1 1 d . . . . .
H6Q H 0.4684 0.8738 0.5268 0.040 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 O3P 2.332(3) . ?
Eu1 O1P 2.346(3) . ?
Eu1 O4P 2.350(3) . ?
Eu1 O2P 2.370(3) . ?
Eu1 O1C 2.393(3) . ?
Eu1 O3C 2.415(3) . ?
Eu1 O4C 2.473(3) . ?
Eu1 O2C 2.501(3) . ?
Eu1 P1 3.4866(15) . ?
Eu1 P3 3.4960(18) . ?
Eu1 Na2 3.549(2) . ?
Eu1 P2 3.5589(16) . ?
Na1 O1C 2.366(4) . ?
Na1 O2C 2.445(4) . ?
Na1 N41 2.466(5) . ?
Na1 O4C 2.493(4) . ?
Na1 N11 2.513(5) . ?
Na1 O2T 2.530(5) . ?
Na1 O3T 2.618(5) . ?
Na1 S1T 3.076(3) . ?
Na1 Na2 3.557(3) . ?
Na2 O1D 2.272(4) . ?
Na2 O3C 2.356(4) . ?
Na2 N21 2.416(5) . ?
Na2 O4C 2.447(4) . ?
Na2 O2C 2.488(4) . ?
Na2 N31 2.621(5) . ?
S1T O3T 1.429(4) . ?
S1T O1T 1.434(4) . ?
S1T O2T 1.453(4) . ?
S1T C1T 1.808(7) . ?
F1T C1T 1.329(7) . ?
F2T C1T 1.335(7) . ?
F3T C1T 1.346(7) . ?
O1D C1D 1.227(6) . ?
N1D C1D 1.326(6) . ?
N1D C3D 1.442(7) . ?
N1D C2D 1.451(7) . ?
C1D H1D 0.9500 . ?
C2D H2D1 0.9800 . ?
C2D H2D2 0.9800 . ?
C2D H2D3 0.9800 . ?
C3D H3D1 0.9800 . ?
C3D H3D2 0.9800 . ?
C3D H3D3 0.9800 . ?
P1 O1P 1.509(3) . ?
P1 N1P 1.615(4) . ?
P1 C1B 1.801(5) . ?
P1 C1E 1.802(5) . ?
P2 O2P 1.497(4) . ?
P2 N2P 1.625(4) . ?
P2 C1F 1.796(5) . ?
P2 C1G 1.810(5) . ?
P3 O3P 1.509(3) . ?
P3 N3P 1.624(4) . ?
P3 C1H 1.799(6) . ?
P3 C1K 1.802(5) . ?
P4 O4P 1.500(4) . ?
P4 N4P 1.632(4) . ?
P4 C1Q 1.797(6) . ?
P4 C1M 1.803(5) . ?
O1C C1N 1.264(6) . ?
O2C C2N 1.278(6) . ?
O3C C3N 1.274(6) . ?
O4C C4N 1.294(6) . ?
N1P C1N 1.326(6) . ?
N2P C2N 1.315(6) . ?
N3P C3N 1.313(6) . ?
N4P C4N 1.309(6) . ?
N11 C11 1.335(6) . ?
N11 C14 1.338(7) . ?
N12 C12 1.313(7) . ?
N12 C13 1.346(7) . ?
N21 C21 1.335(6) . ?
N21 C24 1.340(6) . ?
N22 C22 1.338(7) . ?
N22 C23 1.349(7) . ?
N31 C34 1.337(6) . ?
N31 C31 1.341(6) . ?
N32 C32 1.331(6) . ?
N32 C33 1.340(7) . ?
N41 C41 1.336(6) . ?
N41 C44 1.359(7) . ?
N42 C43 1.327(7) . ?
N42 C42 1.330(7) . ?
C1N C11 1.511(7) . ?
C2N C21 1.513(6) . ?
C3N C31 1.503(6) . ?
C4N C41 1.498(7) . ?
C11 C12 1.398(7) . ?
C12 H12 0.9500 . ?
C13 C14 1.378(8) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C21 C22 1.386(7) . ?
C22 H22 0.9500 . ?
C23 C24 1.365(8) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C31 C32 1.385(7) . ?
C32 H32 0.9500 . ?
C33 C34 1.375(7) . ?
C33 H33 0.9500 . ?
C34 H34 0.9500 . ?
C41 C42 1.375(7) . ?
C42 H42 0.9500 . ?
C43 C44 1.380(8) . ?
C43 H43 0.9500 . ?
C44 H44 0.9500 . ?
C1B C6B 1.395(7) . ?
C1B C2B 1.401(7) . ?
C2B C3B 1.388(7) . ?
C2B H2B 0.9500 . ?
C3B C4B 1.370(8) . ?
C3B H3B 0.9500 . ?
C4B C5B 1.386(7) . ?
C4B H4B 0.9500 . ?
C5B C6B 1.390(7) . ?
C5B H5B 0.9500 . ?
C6B H6B 0.9500 . ?
C1E C2E 1.389(8) . ?
C1E C6E 1.390(7) . ?
C2E C3E 1.383(8) . ?
C2E H2E 0.9500 . ?
C3E C4E 1.359(9) . ?
C3E H3E 0.9500 . ?
C4E C5E 1.350(9) . ?
C4E H4E 0.9500 . ?
C5E C6E 1.387(8) . ?
C5E H5E 0.9500 . ?
C6E H6E 0.9500 . ?
C1F C2F 1.381(7) . ?
C1F C6F 1.401(7) . ?
C2F C3F 1.386(7) . ?
C2F H2F 0.9500 . ?
C3F C4F 1.371(8) . ?
C3F H3F 0.9500 . ?
C4F C5F 1.397(8) . ?
C4F H4F 0.9500 . ?
C5F C6F 1.383(7) . ?
C5F H5F 0.9500 . ?
C6F H6F 0.9500 . ?
C1G C6G 1.374(7) . ?
C1G C2G 1.392(7) . ?
C2G C3G 1.393(7) . ?
C2G H2G 0.9500 . ?
C3G C4G 1.378(8) . ?
C3G H3G 0.9500 . ?
C4G C5G 1.373(8) . ?
C4G H4G 0.9500 . ?
C5G C6G 1.391(8) . ?
C5G H5G 0.9500 . ?
C6G H6G 0.9500 . ?
C1H C6H 1.382(7) . ?
C1H C2H 1.388(8) . ?
C2H C3H 1.384(8) . ?
C2H H2H 0.9500 . ?
C3H C4H 1.387(9) . ?
C3H H3H 0.9500 . ?
C4H C5H 1.378(9) . ?
C4H H4H 0.9500 . ?
C5H C6H 1.390(8) . ?
C5H H5H 0.9500 . ?
C6H H6H 0.9500 . ?
C1K C6K 1.373(7) . ?
C1K C2K 1.380(7) . ?
C2K C3K 1.387(7) . ?
C2K H2K 0.9500 . ?
C3K C4K 1.376(8) . ?
C3K H3K 0.9500 . ?
C4K C5K 1.377(8) . ?
C4K H4K 0.9500 . ?
C5K C6K 1.372(8) . ?
C5K H5K 0.9500 . ?
C6K H6K 0.9500 . ?
C1M C2M 1.391(7) . ?
C1M C6M 1.394(7) . ?
C2M C3M 1.385(8) . ?
C2M H2M 0.9500 . ?
C3M C4M 1.380(8) . ?
C3M H3M 0.9500 . ?
C4M C5M 1.387(9) . ?
C4M H4M 0.9500 . ?
C5M C6M 1.389(8) . ?
C5M H5M 0.9500 . ?
C6M H6M 0.9500 . ?
C1Q C2Q 1.388(8) . ?
C1Q C6Q 1.389(7) . ?
C2Q C3Q 1.387(8) . ?
C2Q H2Q 0.9500 . ?
C3Q C4Q 1.386(10) . ?
C3Q H3Q 0.9500 . ?
C4Q C5Q 1.377(10) . ?
C4Q H4Q 0.9500 . ?
C5Q C6Q 1.376(8) . ?
C5Q H5Q 0.9500 . ?
C6Q H6Q 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O3P Eu1 O1P 78.15(12) . . ?
O3P Eu1 O4P 80.11(12) . . ?
O1P Eu1 O4P 75.01(12) . . ?
O3P Eu1 O2P 77.25(12) . . ?
O1P Eu1 O2P 88.23(11) . . ?
O4P Eu1 O2P 154.17(12) . . ?
O3P Eu1 O1C 140.97(11) . . ?
O1P Eu1 O1C 73.83(12) . . ?
O4P Eu1 O1C 117.12(12) . . ?
O2P Eu1 O1C 75.29(12) . . ?
O3P Eu1 O3C 75.76(11) . . ?
O1P Eu1 O3C 143.19(11) . . ?
O4P Eu1 O3C 75.28(12) . . ?
O2P Eu1 O3C 110.51(12) . . ?
O1C Eu1 O3C 140.34(11) . . ?
O3P Eu1 O4C 147.35(12) . . ?
O1P Eu1 O4C 111.85(11) . . ?
O4P Eu1 O4C 73.28(12) . . ?
O2P Eu1 O4C 132.07(11) . . ?
O1C Eu1 O4C 70.03(11) . . ?
O3C Eu1 O4C 79.40(11) . . ?
O3P Eu1 O2C 121.32(12) . . ?
O1P Eu1 O2C 147.79(11) . . ?
O4P Eu1 O2C 130.07(11) . . ?
O2P Eu1 O2C 73.42(11) . . ?
O1C Eu1 O2C 75.97(11) . . ?
O3C Eu1 O2C 69.00(11) . . ?
O4C Eu1 O2C 66.90(11) . . ?
O3P Eu1 P1 87.65(9) . . ?
O1P Eu1 P1 19.91(8) . . ?
O4P Eu1 P1 93.80(9) . . ?
O2P Eu1 P1 73.11(8) . . ?
O1C Eu1 P1 58.10(8) . . ?
O3C Eu1 P1 161.37(8) . . ?
O4C Eu1 P1 112.33(8) . . ?
O2C Eu1 P1 128.30(8) . . ?
O3P Eu1 P3 19.36(8) . . ?
O1P Eu1 P3 90.29(9) . . ?
O4P Eu1 P3 68.47(9) . . ?
O2P Eu1 P3 92.55(9) . . ?
O1C Eu1 P3 160.03(8) . . ?
O3C Eu1 P3 58.62(8) . . ?
O4C Eu1 P3 128.46(8) . . ?
O2C Eu1 P3 116.21(8) . . ?
P1 Eu1 P3 103.53(4) . . ?
O3P Eu1 Na2 116.98(9) . . ?
O1P Eu1 Na2 153.37(9) . . ?
O4P Eu1 Na2 85.76(9) . . ?
O2P Eu1 Na2 115.62(9) . . ?
O1C Eu1 Na2 99.80(9) . . ?
O3C Eu1 Na2 41.31(9) . . ?
O4C Eu1 Na2 43.53(8) . . ?
O2C Eu1 Na2 44.51(8) . . ?
P1 Eu1 Na2 154.78(4) . . ?
P3 Eu1 Na2 99.75(4) . . ?
O3P Eu1 P2 89.43(9) . . ?
O1P Eu1 P2 103.81(8) . . ?
O4P Eu1 P2 169.50(9) . . ?
O2P Eu1 P2 18.00(8) . . ?
O1C Eu1 P2 71.85(9) . . ?
O3C Eu1 P2 101.46(9) . . ?
O4C Eu1 P2 116.27(8) . . ?
O2C Eu1 P2 55.45(8) . . ?
P1 Eu1 P2 86.56(4) . . ?
P3 Eu1 P2 101.23(4) . . ?
Na2 Eu1 P2 98.37(4) . . ?
O1C Na1 O2C 77.54(13) . . ?
O1C Na1 N41 105.07(15) . . ?
O2C Na1 N41 129.11(15) . . ?
O1C Na1 O4C 70.11(12) . . ?
O2C Na1 O4C 67.43(12) . . ?
N41 Na1 O4C 66.30(14) . . ?
O1C Na1 N11 66.42(14) . . ?
O2C Na1 N11 131.71(15) . . ?
N41 Na1 N11 91.82(16) . . ?
O4C Na1 N11 123.29(15) . . ?
O1C Na1 O2T 167.85(16) . . ?
O2C Na1 O2T 90.33(14) . . ?
N41 Na1 O2T 81.83(16) . . ?
O4C Na1 O2T 104.63(14) . . ?
N11 Na1 O2T 124.07(16) . . ?
O1C Na1 O3T 123.97(15) . . ?
O2C Na1 O3T 87.89(14) . . ?
N41 Na1 O3T 124.91(16) . . ?
O4C Na1 O3T 149.19(15) . . ?
N11 Na1 O3T 86.72(15) . . ?
O2T Na1 O3T 55.40(13) . . ?
O1C Na1 S1T 150.84(12) . . ?
O2C Na1 S1T 91.06(10) . . ?
N41 Na1 S1T 102.93(13) . . ?
O4C Na1 S1T 130.13(11) . . ?
N11 Na1 S1T 104.88(12) . . ?
O2T Na1 S1T 27.95(10) . . ?
O3T Na1 S1T 27.60(9) . . ?
O1C Na1 Na2 100.16(11) . . ?
O2C Na1 Na2 44.35(9) . . ?
N41 Na1 Na2 86.56(12) . . ?
O4C Na1 Na2 43.42(9) . . ?
N11 Na1 Na2 165.58(13) . . ?
O2T Na1 Na2 69.91(11) . . ?
O3T Na1 Na2 105.94(12) . . ?
S1T Na1 Na2 89.43(7) . . ?
O1C Na1 Eu1 41.17(8) . . ?
O2C Na1 Eu1 43.94(9) . . ?
N41 Na1 Eu1 106.34(12) . . ?
O4C Na1 Eu1 43.34(8) . . ?
N11 Na1 Eu1 107.54(12) . . ?
O2T Na1 Eu1 127.67(12) . . ?
O3T Na1 Eu1 126.50(12) . . ?
S1T Na1 Eu1 134.99(7) . . ?
Na2 Na1 Eu1 59.47(5) . . ?
O1D Na2 O3C 137.22(16) . . ?
O1D Na2 N21 116.96(16) . . ?
O3C Na2 N21 101.86(15) . . ?
O1D Na2 O4C 86.82(14) . . ?
O3C Na2 O4C 81.08(13) . . ?
N21 Na2 O4C 130.05(15) . . ?
O1D Na2 O2C 140.34(16) . . ?
O3C Na2 O2C 70.13(12) . . ?
N21 Na2 O2C 67.07(13) . . ?
O4C Na2 O2C 67.49(12) . . ?
O1D Na2 N31 94.37(15) . . ?
O3C Na2 N31 65.57(13) . . ?
N21 Na2 N31 92.15(15) . . ?
O4C Na2 N31 131.44(15) . . ?
O2C Na2 N31 125.29(14) . . ?
O1D Na2 Eu1 128.79(13) . . ?
O3C Na2 Eu1 42.58(8) . . ?
N21 Na2 Eu1 108.05(12) . . ?
O4C Na2 Eu1 44.11(8) . . ?
O2C Na2 Eu1 44.80(8) . . ?
N31 Na2 Eu1 107.50(11) . . ?
O1D Na2 Na1 97.14(12) . . ?
O3C Na2 Na1 102.12(10) . . ?
N21 Na2 Na1 87.37(12) . . ?
O4C Na2 Na1 44.46(9) . . ?
O2C Na2 Na1 43.38(9) . . ?
N31 Na2 Na1 167.32(12) . . ?
Eu1 Na2 Na1 60.84(5) . . ?
O3T S1T O1T 116.5(3) . . ?
O3T S1T O2T 112.3(3) . . ?
O1T S1T O2T 115.5(3) . . ?
O3T S1T C1T 103.3(3) . . ?
O1T S1T C1T 103.6(3) . . ?
O2T S1T C1T 103.3(3) . . ?
O3T S1T Na1 58.08(19) . . ?
O1T S1T Na1 147.72(19) . . ?
O2T S1T Na1 54.67(18) . . ?
C1T S1T Na1 108.6(2) . . ?
F1T C1T F2T 107.5(5) . . ?
F1T C1T F3T 106.8(5) . . ?
F2T C1T F3T 107.1(5) . . ?
F1T C1T S1T 111.9(4) . . ?
F2T C1T S1T 111.7(5) . . ?
F3T C1T S1T 111.5(5) . . ?
S1T O2T Na1 97.4(2) . . ?
S1T O3T Na1 94.3(2) . . ?
C1D O1D Na2 127.7(4) . . ?
C1D N1D C3D 121.1(5) . . ?
C1D N1D C2D 121.0(5) . . ?
C3D N1D C2D 117.3(5) . . ?
O1D C1D N1D 124.7(5) . . ?
O1D C1D H1D 117.6 . . ?
N1D C1D H1D 117.6 . . ?
N1D C2D H2D1 109.5 . . ?
N1D C2D H2D2 109.5 . . ?
H2D1 C2D H2D2 109.5 . . ?
N1D C2D H2D3 109.5 . . ?
H2D1 C2D H2D3 109.5 . . ?
H2D2 C2D H2D3 109.5 . . ?
N1D C3D H3D1 109.5 . . ?
N1D C3D H3D2 109.5 . . ?
H3D1 C3D H3D2 109.5 . . ?
N1D C3D H3D3 109.5 . . ?
H3D1 C3D H3D3 109.5 . . ?
H3D2 C3D H3D3 109.5 . . ?
O1P P1 N1P 118.6(2) . . ?
O1P P1 C1B 108.1(2) . . ?
N1P P1 C1B 108.9(2) . . ?
O1P P1 C1E 109.2(2) . . ?
N1P P1 C1E 105.0(2) . . ?
C1B P1 C1E 106.3(2) . . ?
O1P P1 Eu1 31.97(13) . . ?
N1P P1 Eu1 91.95(15) . . ?
C1B P1 Eu1 104.23(16) . . ?
C1E P1 Eu1 137.62(17) . . ?
O2P P2 N2P 118.4(2) . . ?
O2P P2 C1F 109.2(2) . . ?
N2P P2 C1F 103.9(2) . . ?
O2P P2 C1G 111.8(2) . . ?
N2P P2 C1G 107.3(2) . . ?
C1F P2 C1G 105.3(2) . . ?
O2P P2 Eu1 29.29(13) . . ?
N2P P2 Eu1 91.84(15) . . ?
C1F P2 Eu1 131.93(17) . . ?
C1G P2 Eu1 112.88(17) . . ?
O3P P3 N3P 119.8(2) . . ?
O3P P3 C1H 110.1(2) . . ?
N3P P3 C1H 105.3(2) . . ?
O3P P3 C1K 108.7(2) . . ?
N3P P3 C1K 106.3(2) . . ?
C1H P3 C1K 105.7(3) . . ?
O3P P3 Eu1 30.82(13) . . ?
N3P P3 Eu1 91.44(16) . . ?
C1H P3 Eu1 110.77(18) . . ?
C1K P3 Eu1 133.18(18) . . ?
O4P P4 N4P 117.6(2) . . ?
O4P P4 C1Q 109.0(2) . . ?
N4P P4 C1Q 104.4(2) . . ?
O4P P4 C1M 111.0(2) . . ?
N4P P4 C1M 107.0(2) . . ?
C1Q P4 C1M 107.3(2) . . ?
O4P P4 Eu1 27.75(13) . . ?
N4P P4 Eu1 91.20(15) . . ?
C1Q P4 Eu1 128.01(18) . . ?
C1M P4 Eu1 114.93(16) . . ?
P1 O1P Eu1 128.12(19) . . ?
P2 O2P Eu1 132.71(19) . . ?
P3 O3P Eu1 129.82(19) . . ?
P4 O4P Eu1 134.9(2) . . ?
C1N O1C Na1 124.5(3) . . ?
C1N O1C Eu1 137.2(3) . . ?
Na1 O1C Eu1 98.24(13) . . ?
C2N O2C Na1 121.2(3) . . ?
C2N O2C Na2 117.6(3) . . ?
Na1 O2C Na2 92.27(13) . . ?
C2N O2C Eu1 131.8(3) . . ?
Na1 O2C Eu1 93.34(12) . . ?
Na2 O2C Eu1 90.70(12) . . ?
C3N O3C Na2 125.9(3) . . ?
C3N O3C Eu1 135.2(3) . . ?
Na2 O3C Eu1 96.11(13) . . ?
C4N O4C Na2 117.6(3) . . ?
C4N O4C Eu1 133.2(3) . . ?
Na2 O4C Eu1 92.36(12) . . ?
C4N O4C Na1 118.9(3) . . ?
Na2 O4C Na1 92.12(13) . . ?
Eu1 O4C Na1 92.87(12) . . ?
C1N N1P P1 122.3(4) . . ?
C2N N2P P2 121.6(4) . . ?
C3N N3P P3 124.0(3) . . ?
C4N N4P P4 122.7(3) . . ?
C11 N11 C14 115.5(5) . . ?
C11 N11 Na1 115.9(3) . . ?
C14 N11 Na1 128.1(4) . . ?
C12 N12 C13 114.6(5) . . ?
C21 N21 C24 116.3(5) . . ?
C21 N21 Na2 118.1(3) . . ?
C24 N21 Na2 124.7(4) . . ?
C22 N22 C23 114.8(5) . . ?
C34 N31 C31 115.5(4) . . ?
C34 N31 Na2 131.0(4) . . ?
C31 N31 Na2 113.5(3) . . ?
C32 N32 C33 115.1(5) . . ?
C41 N41 C44 115.6(4) . . ?
C41 N41 Na1 118.4(3) . . ?
C44 N41 Na1 126.0(4) . . ?
C43 N42 C42 115.9(5) . . ?
O1C C1N N1P 128.6(5) . . ?
O1C C1N C11 116.1(4) . . ?
N1P C1N C11 115.3(4) . . ?
O2C C2N N2P 127.7(4) . . ?
O2C C2N C21 116.8(4) . . ?
N2P C2N C21 115.4(4) . . ?
O3C C3N N3P 129.0(4) . . ?
O3C C3N C31 116.7(4) . . ?
N3P C3N C31 114.3(4) . . ?
O4C C4N N4P 127.4(5) . . ?
O4C C4N C41 116.8(4) . . ?
N4P C4N C41 115.7(4) . . ?
N11 C11 C12 121.3(5) . . ?
N11 C11 C1N 117.0(4) . . ?
C12 C11 C1N 121.6(5) . . ?
N12 C12 C11 123.6(5) . . ?
N12 C12 H12 118.2 . . ?
C11 C12 H12 118.2 . . ?
N12 C13 C14 122.8(5) . . ?
N12 C13 H13 118.6 . . ?
C14 C13 H13 118.6 . . ?
N11 C14 C13 122.2(5) . . ?
N11 C14 H14 118.9 . . ?
C13 C14 H14 118.9 . . ?
N21 C21 C22 121.5(5) . . ?
N21 C21 C2N 117.6(4) . . ?
C22 C21 C2N 120.9(4) . . ?
N22 C22 C21 122.7(5) . . ?
N22 C22 H22 118.7 . . ?
C21 C22 H22 118.7 . . ?
N22 C23 C24 122.8(5) . . ?
N22 C23 H23 118.6 . . ?
C24 C23 H23 118.6 . . ?
N21 C24 C23 122.0(5) . . ?
N21 C24 H24 119.0 . . ?
C23 C24 H24 119.0 . . ?
N31 C31 C32 121.6(5) . . ?
N31 C31 C3N 117.8(4) . . ?
C32 C31 C3N 120.5(5) . . ?
N32 C32 C31 122.9(5) . . ?
N32 C32 H32 118.6 . . ?
C31 C32 H32 118.6 . . ?
N32 C33 C34 122.5(5) . . ?
N32 C33 H33 118.8 . . ?
C34 C33 H33 118.8 . . ?
N31 C34 C33 122.4(5) . . ?
N31 C34 H34 118.8 . . ?
C33 C34 H34 118.8 . . ?
N41 C41 C42 121.3(5) . . ?
N41 C41 C4N 117.9(4) . . ?
C42 C41 C4N 120.9(5) . . ?
N42 C42 C41 123.3(5) . . ?
N42 C42 H42 118.3 . . ?
C41 C42 H42 118.3 . . ?
N42 C43 C44 121.9(5) . . ?
N42 C43 H43 119.1 . . ?
C44 C43 H43 119.1 . . ?
N41 C44 C43 121.9(5) . . ?
N41 C44 H44 119.0 . . ?
C43 C44 H44 119.0 . . ?
C6B C1B C2B 119.2(5) . . ?
C6B C1B P1 118.9(4) . . ?
C2B C1B P1 122.0(4) . . ?
C3B C2B C1B 119.8(5) . . ?
C3B C2B H2B 120.1 . . ?
C1B C2B H2B 120.1 . . ?
C4B C3B C2B 120.6(5) . . ?
C4B C3B H3B 119.7 . . ?
C2B C3B H3B 119.7 . . ?
C3B C4B C5B 120.3(5) . . ?
C3B C4B H4B 119.9 . . ?
C5B C4B H4B 119.9 . . ?
C4B C5B C6B 120.0(5) . . ?
C4B C5B H5B 120.0 . . ?
C6B C5B H5B 120.0 . . ?
C5B C6B C1B 120.1(5) . . ?
C5B C6B H6B 119.9 . . ?
C1B C6B H6B 119.9 . . ?
C2E C1E C6E 119.5(5) . . ?
C2E C1E P1 119.2(4) . . ?
C6E C1E P1 121.3(4) . . ?
C3E C2E C1E 119.4(6) . . ?
C3E C2E H2E 120.3 . . ?
C1E C2E H2E 120.3 . . ?
C4E C3E C2E 120.9(6) . . ?
C4E C3E H3E 119.6 . . ?
C2E C3E H3E 119.6 . . ?
C5E C4E C3E 119.9(6) . . ?
C5E C4E H4E 120.1 . . ?
C3E C4E H4E 120.1 . . ?
C4E C5E C6E 121.6(6) . . ?
C4E C5E H5E 119.2 . . ?
C6E C5E H5E 119.2 . . ?
C5E C6E C1E 118.7(6) . . ?
C5E C6E H6E 120.6 . . ?
C1E C6E H6E 120.6 . . ?
C2F C1F C6F 119.3(5) . . ?
C2F C1F P2 122.0(4) . . ?
C6F C1F P2 118.7(4) . . ?
C1F C2F C3F 120.7(5) . . ?
C1F C2F H2F 119.6 . . ?
C3F C2F H2F 119.6 . . ?
C4F C3F C2F 120.0(5) . . ?
C4F C3F H3F 120.0 . . ?
C2F C3F H3F 120.0 . . ?
C3F C4F C5F 120.3(5) . . ?
C3F C4F H4F 119.9 . . ?
C5F C4F H4F 119.9 . . ?
C6F C5F C4F 119.7(5) . . ?
C6F C5F H5F 120.1 . . ?
C4F C5F H5F 120.1 . . ?
C5F C6F C1F 120.0(5) . . ?
C5F C6F H6F 120.0 . . ?
C1F C6F H6F 120.0 . . ?
C6G C1G C2G 119.5(5) . . ?
C6G C1G P2 122.3(4) . . ?
C2G C1G P2 118.2(4) . . ?
C1G C2G C3G 120.1(5) . . ?
C1G C2G H2G 119.9 . . ?
C3G C2G H2G 119.9 . . ?
C4G C3G C2G 119.8(5) . . ?
C4G C3G H3G 120.1 . . ?
C2G C3G H3G 120.1 . . ?
C5G C4G C3G 120.1(6) . . ?
C5G C4G H4G 120.0 . . ?
C3G C4G H4G 120.0 . . ?
C4G C5G C6G 120.4(6) . . ?
C4G C5G H5G 119.8 . . ?
C6G C5G H5G 119.8 . . ?
C1G C6G C5G 120.1(5) . . ?
C1G C6G H6G 120.0 . . ?
C5G C6G H6G 120.0 . . ?
C6H C1H C2H 119.8(5) . . ?
C6H C1H P3 118.7(4) . . ?
C2H C1H P3 121.4(4) . . ?
C3H C2H C1H 119.7(6) . . ?
C3H C2H H2H 120.2 . . ?
C1H C2H H2H 120.2 . . ?
C2H C3H C4H 121.0(6) . . ?
C2H C3H H3H 119.5 . . ?
C4H C3H H3H 119.5 . . ?
C5H C4H C3H 118.6(6) . . ?
C5H C4H H4H 120.7 . . ?
C3H C4H H4H 120.7 . . ?
C4H C5H C6H 121.2(6) . . ?
C4H C5H H5H 119.4 . . ?
C6H C5H H5H 119.4 . . ?
C1H C6H C5H 119.6(6) . . ?
C1H C6H H6H 120.2 . . ?
C5H C6H H6H 120.2 . . ?
C6K C1K C2K 119.7(5) . . ?
C6K C1K P3 122.7(4) . . ?
C2K C1K P3 117.5(4) . . ?
C1K C2K C3K 120.0(5) . . ?
C1K C2K H2K 120.0 . . ?
C3K C2K H2K 120.0 . . ?
C4K C3K C2K 119.5(5) . . ?
C4K C3K H3K 120.2 . . ?
C2K C3K H3K 120.2 . . ?
C3K C4K C5K 120.3(5) . . ?
C3K C4K H4K 119.9 . . ?
C5K C4K H4K 119.9 . . ?
C6K C5K C4K 119.8(6) . . ?
C6K C5K H5K 120.1 . . ?
C4K C5K H5K 120.1 . . ?
C5K C6K C1K 120.6(5) . . ?
C5K C6K H6K 119.7 . . ?
C1K C6K H6K 119.7 . . ?
C2M C1M C6M 119.4(5) . . ?
C2M C1M P4 119.0(4) . . ?
C6M C1M P4 121.4(4) . . ?
C3M C2M C1M 120.6(5) . . ?
C3M C2M H2M 119.7 . . ?
C1M C2M H2M 119.7 . . ?
C4M C3M C2M 119.7(6) . . ?
C4M C3M H3M 120.1 . . ?
C2M C3M H3M 120.1 . . ?
C3M C4M C5M 120.4(5) . . ?
C3M C4M H4M 119.8 . . ?
C5M C4M H4M 119.8 . . ?
C4M C5M C6M 120.1(6) . . ?
C4M C5M H5M 120.0 . . ?
C6M C5M H5M 120.0 . . ?
C5M C6M C1M 119.8(6) . . ?
C5M C6M H6M 120.1 . . ?
C1M C6M H6M 120.1 . . ?
C2Q C1Q C6Q 119.8(5) . . ?
C2Q C1Q P4 117.6(4) . . ?
C6Q C1Q P4 122.6(4) . . ?
C3Q C2Q C1Q 120.0(6) . . ?
C3Q C2Q H2Q 120.0 . . ?
C1Q C2Q H2Q 120.0 . . ?
C4Q C3Q C2Q 119.6(6) . . ?
C4Q C3Q H3Q 120.2 . . ?
C2Q C3Q H3Q 120.2 . . ?
C5Q C4Q C3Q 120.3(6) . . ?
C5Q C4Q H4Q 119.8 . . ?
C3Q C4Q H4Q 119.8 . . ?
C6Q C5Q C4Q 120.3(6) . . ?
C6Q C5Q H5Q 119.9 . . ?
C4Q C5Q H5Q 119.9 . . ?
C5Q C6Q C1Q 120.0(6) . . ?
C5Q C6Q H6Q 120.0 . . ?
C1Q C6Q H6Q 120.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O3T S1T C1T F1T -57.9(5) . . . . ?
O1T S1T C1T F1T -179.8(4) . . . . ?
O2T S1T C1T F1T 59.4(5) . . . . ?
Na1 S1T C1T F1T 2.6(5) . . . . ?
O3T S1T C1T F2T 62.7(5) . . . . ?
O1T S1T C1T F2T -59.2(5) . . . . ?
O2T S1T C1T F2T 180.0(4) . . . . ?
Na1 S1T C1T F2T 123.1(4) . . . . ?
O3T S1T C1T F3T -177.4(4) . . . . ?
O1T S1T C1T F3T 60.6(5) . . . . ?
O2T S1T C1T F3T -60.2(5) . . . . ?
Na1 S1T C1T F3T -117.0(4) . . . . ?
O3T S1T O2T Na1 7.2(3) . . . . ?
O1T S1T O2T Na1 144.1(2) . . . . ?
C1T S1T O2T Na1 -103.5(3) . . . . ?
O1T S1T O3T Na1 -143.4(2) . . . . ?
O2T S1T O3T Na1 -6.9(3) . . . . ?
C1T S1T O3T Na1 103.8(2) . . . . ?
Na2 O1D C1D N1D 160.9(4) . . . . ?
C3D N1D C1D O1D 5.4(9) . . . . ?
C2D N1D C1D O1D 176.5(5) . . . . ?
N1P P1 O1P Eu1 36.7(3) . . . . ?
C1B P1 O1P Eu1 -87.9(3) . . . . ?
C1E P1 O1P Eu1 156.9(2) . . . . ?
N2P P2 O2P Eu1 -27.2(4) . . . . ?
C1F P2 O2P Eu1 -145.7(3) . . . . ?
C1G P2 O2P Eu1 98.2(3) . . . . ?
N3P P3 O3P Eu1 25.2(4) . . . . ?
C1H P3 O3P Eu1 -97.1(3) . . . . ?
C1K P3 O3P Eu1 147.5(3) . . . . ?
N4P P4 O4P Eu1 -19.7(4) . . . . ?
C1Q P4 O4P Eu1 -138.1(3) . . . . ?
C1M P4 O4P Eu1 103.9(3) . . . . ?
O1P P1 N1P C1N -5.3(5) . . . . ?
C1B P1 N1P C1N 118.9(4) . . . . ?
C1E P1 N1P C1N -127.6(4) . . . . ?
Eu1 P1 N1P C1N 13.1(4) . . . . ?
O2P P2 N2P C2N 29.2(5) . . . . ?
C1F P2 N2P C2N 150.4(4) . . . . ?
C1G P2 N2P C2N -98.4(4) . . . . ?
Eu1 P2 N2P C2N 16.2(4) . . . . ?
O3P P3 N3P C3N -5.5(5) . . . . ?
C1H P3 N3P C3N 119.1(4) . . . . ?
C1K P3 N3P C3N -129.0(4) . . . . ?
Eu1 P3 N3P C3N 7.1(4) . . . . ?
O4P P4 N4P C4N 23.4(5) . . . . ?
C1Q P4 N4P C4N 144.2(4) . . . . ?
C1M P4 N4P C4N -102.2(4) . . . . ?
Eu1 P4 N4P C4N 14.3(4) . . . . ?
Na1 O1C C1N N1P -178.8(4) . . . . ?
Eu1 O1C C1N N1P -3.8(8) . . . . ?
Na1 O1C C1N C11 2.4(6) . . . . ?
Eu1 O1C C1N C11 177.4(3) . . . . ?
P1 N1P C1N O1C -11.7(7) . . . . ?
P1 N1P C1N C11 167.0(3) . . . . ?
Na1 O2C C2N N2P 88.5(6) . . . . ?
Na2 O2C C2N N2P -159.9(4) . . . . ?
Eu1 O2C C2N N2P -40.9(7) . . . . ?
Na1 O2C C2N C21 -95.1(4) . . . . ?
Na2 O2C C2N C21 16.5(5) . . . . ?
Eu1 O2C C2N C21 135.5(3) . . . . ?
P2 N2P C2N O2C 4.0(7) . . . . ?
P2 N2P C2N C21 -172.4(3) . . . . ?
Na2 O3C C3N N3P -171.9(4) . . . . ?
Eu1 O3C C3N N3P -15.8(8) . . . . ?
Na2 O3C C3N C31 8.8(6) . . . . ?
Eu1 O3C C3N C31 164.9(3) . . . . ?
P3 N3P C3N O3C 0.6(8) . . . . ?
P3 N3P C3N C31 179.9(3) . . . . ?
Na2 O4C C4N N4P 86.1(5) . . . . ?
Eu1 O4C C4N N4P -37.6(7) . . . . ?
Na1 O4C C4N N4P -164.3(4) . . . . ?
Na2 O4C C4N C41 -94.6(4) . . . . ?
Eu1 O4C C4N C41 141.7(3) . . . . ?
Na1 O4C C4N C41 15.1(5) . . . . ?
P4 N4P C4N O4C 3.8(7) . . . . ?
P4 N4P C4N C41 -175.5(3) . . . . ?
C14 N11 C11 C12 -0.5(8) . . . . ?
Na1 N11 C11 C12 -172.8(4) . . . . ?
C14 N11 C11 C1N 176.1(5) . . . . ?
Na1 N11 C11 C1N 3.8(6) . . . . ?
O1C C1N C11 N11 -4.2(7) . . . . ?
N1P C1N C11 N11 176.9(4) . . . . ?
O1C C1N C11 C12 172.5(5) . . . . ?
N1P C1N C11 C12 -6.5(7) . . . . ?
C13 N12 C12 C11 -1.4(8) . . . . ?
N11 C11 C12 N12 1.6(9) . . . . ?
C1N C11 C12 N12 -174.9(5) . . . . ?
C12 N12 C13 C14 0.4(9) . . . . ?
C11 N11 C14 C13 -0.5(9) . . . . ?
Na1 N11 C14 C13 170.7(4) . . . . ?
N12 C13 C14 N11 0.6(10) . . . . ?
C24 N21 C21 C22 -0.3(7) . . . . ?
Na2 N21 C21 C22 168.9(4) . . . . ?
C24 N21 C21 C2N -178.2(4) . . . . ?
Na2 N21 C21 C2N -9.0(6) . . . . ?
O2C C2N C21 N21 -5.3(7) . . . . ?
N2P C2N C21 N21 171.5(4) . . . . ?
O2C C2N C21 C22 176.7(5) . . . . ?
N2P C2N C21 C22 -6.4(7) . . . . ?
C23 N22 C22 C21 0.7(8) . . . . ?
N21 C21 C22 N22 0.1(9) . . . . ?
C2N C21 C22 N22 178.0(5) . . . . ?
C22 N22 C23 C24 -1.4(9) . . . . ?
C21 N21 C24 C23 -0.4(8) . . . . ?
Na2 N21 C24 C23 -168.8(4) . . . . ?
N22 C23 C24 N21 1.3(9) . . . . ?
C34 N31 C31 C32 1.4(7) . . . . ?
Na2 N31 C31 C32 -177.7(4) . . . . ?
C34 N31 C31 C3N -179.5(4) . . . . ?
Na2 N31 C31 C3N 1.4(5) . . . . ?
O3C C3N C31 N31 -6.2(7) . . . . ?
N3P C3N C31 N31 174.4(4) . . . . ?
O3C C3N C31 C32 172.9(5) . . . . ?
N3P C3N C31 C32 -6.5(7) . . . . ?
C33 N32 C32 C31 0.4(8) . . . . ?
N31 C31 C32 N32 -1.7(8) . . . . ?
C3N C31 C32 N32 179.2(5) . . . . ?
C32 N32 C33 C34 1.1(8) . . . . ?
C31 N31 C34 C33 0.1(8) . . . . ?
Na2 N31 C34 C33 179.0(4) . . . . ?
N32 C33 C34 N31 -1.4(9) . . . . ?
C44 N41 C41 C42 -0.9(7) . . . . ?
Na1 N41 C41 C42 177.2(4) . . . . ?
C44 N41 C41 C4N 179.5(4) . . . . ?
Na1 N41 C41 C4N -2.4(5) . . . . ?
O4C C4N C41 N41 -8.5(6) . . . . ?
N4P C4N C41 N41 170.9(4) . . . . ?
O4C C4N C41 C42 171.9(5) . . . . ?
N4P C4N C41 C42 -8.7(7) . . . . ?
C43 N42 C42 C41 -1.5(8) . . . . ?
N41 C41 C42 N42 2.1(8) . . . . ?
C4N C41 C42 N42 -178.3(5) . . . . ?
C42 N42 C43 C44 -0.1(8) . . . . ?
C41 N41 C44 C43 -0.6(8) . . . . ?
Na1 N41 C44 C43 -178.6(4) . . . . ?
N42 C43 C44 N41 1.2(9) . . . . ?
O1P P1 C1B C6B -17.4(5) . . . . ?
N1P P1 C1B C6B -147.7(4) . . . . ?
C1E P1 C1B C6B 99.7(4) . . . . ?
Eu1 P1 C1B C6B -50.5(4) . . . . ?
O1P P1 C1B C2B 163.5(4) . . . . ?
N1P P1 C1B C2B 33.3(5) . . . . ?
C1E P1 C1B C2B -79.4(5) . . . . ?
Eu1 P1 C1B C2B 130.4(4) . . . . ?
C6B C1B C2B C3B -0.1(8) . . . . ?
P1 C1B C2B C3B 179.0(4) . . . . ?
C1B C2B C3B C4B -1.4(8) . . . . ?
C2B C3B C4B C5B 2.1(8) . . . . ?
C3B C4B C5B C6B -1.3(9) . . . . ?
C4B C5B C6B C1B -0.2(8) . . . . ?
C2B C1B C6B C5B 0.9(8) . . . . ?
P1 C1B C6B C5B -178.2(4) . . . . ?
O1P P1 C1E C2E 52.1(5) . . . . ?
N1P P1 C1E C2E -179.6(4) . . . . ?
C1B P1 C1E C2E -64.3(5) . . . . ?
Eu1 P1 C1E C2E 70.1(5) . . . . ?
O1P P1 C1E C6E -125.8(5) . . . . ?
N1P P1 C1E C6E 2.4(5) . . . . ?
C1B P1 C1E C6E 117.8(5) . . . . ?
Eu1 P1 C1E C6E -107.8(5) . . . . ?
C6E C1E C2E C3E -0.4(9) . . . . ?
P1 C1E C2E C3E -178.4(5) . . . . ?
C1E C2E C3E C4E 0.3(10) . . . . ?
C2E C3E C4E C5E -0.1(10) . . . . ?
C3E C4E C5E C6E -0.1(11) . . . . ?
C4E C5E C6E C1E 0.0(10) . . . . ?
C2E C1E C6E C5E 0.3(9) . . . . ?
P1 C1E C6E C5E 178.2(5) . . . . ?
O2P P2 C1F C2F 166.6(4) . . . . ?
N2P P2 C1F C2F 39.4(5) . . . . ?
C1G P2 C1F C2F -73.3(5) . . . . ?
Eu1 P2 C1F C2F 144.9(4) . . . . ?
O2P P2 C1F C6F -15.9(5) . . . . ?
N2P P2 C1F C6F -143.2(4) . . . . ?
C1G P2 C1F C6F 104.2(4) . . . . ?
Eu1 P2 C1F C6F -37.7(5) . . . . ?
C6F C1F C2F C3F -0.7(8) . . . . ?
P2 C1F C2F C3F 176.8(4) . . . . ?
C1F C2F C3F C4F -0.4(8) . . . . ?
C2F C3F C4F C5F 1.2(9) . . . . ?
C3F C4F C5F C6F -1.0(8) . . . . ?
C4F C5F C6F C1F -0.1(8) . . . . ?
C2F C1F C6F C5F 0.9(8) . . . . ?
P2 C1F C6F C5F -176.7(4) . . . . ?
O2P P2 C1G C6G -143.3(4) . . . . ?
N2P P2 C1G C6G -11.9(5) . . . . ?
C1F P2 C1G C6G 98.3(5) . . . . ?
Eu1 P2 C1G C6G -111.6(4) . . . . ?
O2P P2 C1G C2G 37.6(5) . . . . ?
N2P P2 C1G C2G 169.0(4) . . . . ?
C1F P2 C1G C2G -80.8(4) . . . . ?
Eu1 P2 C1G C2G 69.3(4) . . . . ?
C6G C1G C2G C3G -0.3(8) . . . . ?
P2 C1G C2G C3G 178.9(4) . . . . ?
C1G C2G C3G C4G -0.1(8) . . . . ?
C2G C3G C4G C5G -0.4(9) . . . . ?
C3G C4G C5G C6G 1.4(10) . . . . ?
C2G C1G C6G C5G 1.2(8) . . . . ?
P2 C1G C6G C5G -177.9(5) . . . . ?
C4G C5G C6G C1G -1.7(10) . . . . ?
O3P P3 C1H C6H 0.0(5) . . . . ?
N3P P3 C1H C6H -130.5(4) . . . . ?
C1K P3 C1H C6H 117.2(5) . . . . ?
Eu1 P3 C1H C6H -32.9(5) . . . . ?
O3P P3 C1H C2H 179.3(4) . . . . ?
N3P P3 C1H C2H 48.8(5) . . . . ?
C1K P3 C1H C2H -63.5(5) . . . . ?
Eu1 P3 C1H C2H 146.4(4) . . . . ?
C6H C1H C2H C3H -1.4(8) . . . . ?
P3 C1H C2H C3H 179.3(5) . . . . ?
C1H C2H C3H C4H 0.2(10) . . . . ?
C2H C3H C4H C5H 1.5(10) . . . . ?
C3H C4H C5H C6H -1.9(10) . . . . ?
C2H C1H C6H C5H 1.0(9) . . . . ?
P3 C1H C6H C5H -179.7(5) . . . . ?
C4H C5H C6H C1H 0.6(10) . . . . ?
O3P P3 C1K C6K -165.8(5) . . . . ?
N3P P3 C1K C6K -35.6(6) . . . . ?
C1H P3 C1K C6K 76.0(6) . . . . ?
Eu1 P3 C1K C6K -143.7(4) . . . . ?
O3P P3 C1K C2K 17.4(5) . . . . ?
N3P P3 C1K C2K 147.6(4) . . . . ?
C1H P3 C1K C2K -100.8(5) . . . . ?
Eu1 P3 C1K C2K 39.5(6) . . . . ?
C6K C1K C2K C3K -2.1(9) . . . . ?
P3 C1K C2K C3K 174.8(4) . . . . ?
C1K C2K C3K C4K 0.6(9) . . . . ?
C2K C3K C4K C5K 1.4(9) . . . . ?
C3K C4K C5K C6K -1.8(10) . . . . ?
C4K C5K C6K C1K 0.3(11) . . . . ?
C2K C1K C6K C5K 1.7(10) . . . . ?
P3 C1K C6K C5K -175.0(5) . . . . ?
O4P P4 C1M C2M 47.6(5) . . . . ?
N4P P4 C1M C2M 177.1(4) . . . . ?
C1Q P4 C1M C2M -71.4(5) . . . . ?
Eu1 P4 C1M C2M 77.5(4) . . . . ?
O4P P4 C1M C6M -128.0(4) . . . . ?
N4P P4 C1M C6M 1.5(5) . . . . ?
C1Q P4 C1M C6M 113.1(5) . . . . ?
Eu1 P4 C1M C6M -98.1(4) . . . . ?
C6M C1M C2M C3M -0.6(8) . . . . ?
P4 C1M C2M C3M -176.2(4) . . . . ?
C1M C2M C3M C4M 0.4(8) . . . . ?
C2M C3M C4M C5M 0.3(8) . . . . ?
C3M C4M C5M C6M -0.8(9) . . . . ?
C4M C5M C6M C1M 0.6(8) . . . . ?
C2M C1M C6M C5M 0.1(8) . . . . ?
P4 C1M C6M C5M 175.6(4) . . . . ?
O4P P4 C1Q C2Q 29.6(5) . . . . ?
N4P P4 C1Q C2Q -96.8(5) . . . . ?
C1M P4 C1Q C2Q 149.9(4) . . . . ?
Eu1 P4 C1Q C2Q 6.4(5) . . . . ?
O4P P4 C1Q C6Q -152.6(5) . . . . ?
N4P P4 C1Q C6Q 81.0(5) . . . . ?
C1M P4 C1Q C6Q -32.3(5) . . . . ?
Eu1 P4 C1Q C6Q -175.8(4) . . . . ?
C6Q C1Q C2Q C3Q -1.1(9) . . . . ?
P4 C1Q C2Q C3Q 176.8(5) . . . . ?
C1Q C2Q C3Q C4Q 0.5(10) . . . . ?
C2Q C3Q C4Q C5Q 0.8(10) . . . . ?
C3Q C4Q C5Q C6Q -1.4(10) . . . . ?
C4Q C5Q C6Q C1Q 0.8(10) . . . . ?
C2Q C1Q C6Q C5Q 0.5(9) . . . . ?
P4 C1Q C6Q C5Q -177.3(5) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C1D H1D O1T 0.95 2.45 3.375(7) 165.6 2_667
C14 H14 F1T 0.95 2.42 3.293(7) 153.4 .
C34 H34 O1T 0.95 2.48 3.381(7) 158.1 2_667

_refine_diff_density_max         1.404
_refine_diff_density_min         -1.773
_refine_diff_density_rms         0.152


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: acetone, DMF'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Na2DyL4
_database_code_depnum_ccdc_archive 'CCDC 1957401'
loop_
_audit_author_name
_audit_author_address
'yen hoang pham'
;University of Wroclaw
Poland
;
_audit_update_record             
;
2019-10-03 deposited with the CCDC.	2020-06-26 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT973_Na2DyL4             
;
PROBLEM: Check Calcd Positive Resid. Density on        Dy       3.01 eA-3
RESPONSE: Probably caused by very small unresolved disorder of the metal center or ineffective absorption correction.
;
# Added during the CSD deposition process: Thursday 03 October 2019 03:43 PM
# end Validation Reply Form


_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'2(Na 1+), Dy 3+, 4(C17 H13 N3 O2 P 1-), C F3 S O3 1-, C3 H7 N O'
_chemical_formula_sum            'C72 H59 Dy F3 N13 Na2 O12 P4 S'
_chemical_formula_weight         1719.74

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'
F F 0.0171 0.0103 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.309(5)
_cell_length_b                   16.000(6)
_cell_length_c                   16.247(5)
_cell_angle_alpha                92.22(3)
_cell_angle_beta                 97.46(3)
_cell_angle_gamma                109.11(3)
_cell_volume                     3714(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    10307
_cell_measurement_theta_min      3.0500
_cell_measurement_theta_max      32.8160

_exptl_crystal_description       tabular
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.538
_exptl_crystal_F_000             1738
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.230
_exptl_crystal_size_min          0.090
_exptl_absorpt_coefficient_mu    1.210
_shelx_estimated_absorpt_T_min   0.728
_shelx_estimated_absorpt_T_max   0.899
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.826
_exptl_absorpt_correction_T_max  0.970
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.8b (Rigaku Oxford Diffraction, 2018)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      120(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_measurement_device_type  'Xcalibur, Sapphire2, large Be window'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 8.3359
_diffrn_reflns_number            28105
_diffrn_reflns_av_unetI/netI     0.1147
_diffrn_reflns_av_R_equivalents  0.0807
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.713
_diffrn_reflns_theta_max         25.693
_diffrn_reflns_theta_full        25.500
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_point_group_measured_fraction_full 0.992
_reflns_number_total             14005
_reflns_number_gt                10065
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'CrysAlisPro 1.171.40.8b (Rigaku OD, 2018)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.8b (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.40.8b (Rigaku OD, 2018)'
_computing_structure_solution    'SHELXS-2016/6 (Sheldrick, 2016)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'Diamond 3.0d (Crystal Impact, 2005)'
_computing_publication_material  'WinGX 2014 (Farrugia, 2014)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0920P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     patterson
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         14005
_refine_ls_number_parameters     975
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0967
_refine_ls_R_factor_gt           0.0678
_refine_ls_wR_factor_ref         0.1932
_refine_ls_wR_factor_gt          0.1618
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_restrained_S_all      1.048
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy Dy 0.78597(2) 0.74418(2) 0.72868(2) 0.02462(12) Uani 1 1 d . . . . .
Na1 Na 0.66443(18) 0.51102(17) 0.73295(16) 0.0267(6) Uani 1 1 d . . . . .
Na2 Na 0.59760(18) 0.66794(18) 0.84391(17) 0.0289(6) Uani 1 1 d . . . . .
P1 P 0.90654(12) 0.73597(12) 0.56388(11) 0.0256(4) Uani 1 1 d . . . . .
P2 P 0.60089(13) 0.80596(12) 0.62529(11) 0.0262(4) Uani 1 1 d . . . . .
P3 P 0.94757(12) 0.66342(12) 0.84593(11) 0.0251(4) Uani 1 1 d . . . . .
P4 P 0.87404(13) 0.96693(12) 0.80183(11) 0.0257(4) Uani 1 1 d . . . . .
S1T S 0.61301(13) 0.38516(13) 0.87058(12) 0.0352(4) Uani 1 1 d . . . . .
F1T F 0.5940(4) 0.2169(3) 0.8489(3) 0.0632(15) Uani 1 1 d . . . . .
F2T F 0.4647(4) 0.2424(3) 0.8391(3) 0.0612(14) Uani 1 1 d . . . . .
F3T F 0.5470(4) 0.2706(3) 0.7400(3) 0.0633(15) Uani 1 1 d . . . . .
O1T O 0.6120(4) 0.3751(3) 0.9576(3) 0.0422(13) Uani 1 1 d . . . . .
O2T O 0.7028(4) 0.4080(4) 0.8431(4) 0.0487(15) Uani 1 1 d . . . . .
O3T O 0.5557(4) 0.4341(4) 0.8342(4) 0.0486(15) Uani 1 1 d . . . . .
C1T C 0.5527(6) 0.2747(6) 0.8225(5) 0.043(2) Uani 1 1 d . . . . .
O1D O 0.4416(3) 0.6105(3) 0.7961(3) 0.0381(12) Uani 1 1 d . . . . .
N1D N 0.2907(4) 0.6015(4) 0.7967(4) 0.0350(15) Uani 1 1 d . . . . .
C1D C 0.3778(5) 0.6141(5) 0.8320(5) 0.0346(17) Uani 1 1 d . . . . .
H1D H 0.391536 0.627126 0.890737 0.042 Uiso 1 1 calc R U . . .
C2D C 0.2177(5) 0.6023(6) 0.8460(5) 0.0409(19) Uani 1 1 d . . . . .
H2D1 H 0.169585 0.543364 0.839512 0.061 Uiso 1 1 calc R U . . .
H2D2 H 0.189544 0.646260 0.826671 0.061 Uiso 1 1 calc R U . . .
H2D3 H 0.245064 0.617754 0.904822 0.061 Uiso 1 1 calc R U . . .
C3D C 0.2627(6) 0.5762(6) 0.7074(5) 0.051(2) Uani 1 1 d . . . . .
H3D1 H 0.318320 0.582730 0.681086 0.076 Uiso 1 1 calc R U . . .
H3D2 H 0.229797 0.614669 0.682875 0.076 Uiso 1 1 calc R U . . .
H3D3 H 0.221056 0.514284 0.698432 0.076 Uiso 1 1 calc R U . . .
O1C O 0.7760(3) 0.6070(3) 0.6608(3) 0.0269(11) Uani 1 1 d . . . . .
O2C O 0.6233(3) 0.6451(3) 0.7003(3) 0.0239(10) Uani 1 1 d . . . . .
O3C O 0.7447(3) 0.6372(3) 0.8353(3) 0.0259(10) Uani 1 1 d . . . . .
O4C O 0.7226(3) 0.8013(3) 0.8363(3) 0.0236(10) Uani 1 1 d . . . . .
O1P O 0.8491(3) 0.7802(3) 0.6070(3) 0.0248(10) Uani 1 1 d . . . . .
O2P O 0.7011(3) 0.8247(3) 0.6608(3) 0.0268(10) Uani 1 1 d . . . . .
O3P O 0.9248(3) 0.7220(3) 0.7821(3) 0.0280(11) Uani 1 1 d . . . . .
O4P O 0.8896(3) 0.8860(3) 0.7651(3) 0.0256(10) Uani 1 1 d . . . . .
N1P N 0.8809(4) 0.6298(4) 0.5648(3) 0.0277(13) Uani 1 1 d . . . . .
N2P N 0.5340(4) 0.7022(4) 0.6057(3) 0.0261(13) Uani 1 1 d . . . . .
N3P N 0.8798(4) 0.6348(4) 0.9174(3) 0.0261(13) Uani 1 1 d . . . . .
N4P N 0.7908(4) 0.9548(4) 0.8563(4) 0.0273(13) Uani 1 1 d . . . . .
N11 N 0.7253(4) 0.4303(4) 0.6301(4) 0.0316(14) Uani 1 1 d . . . . .
N12 N 0.7873(5) 0.3603(4) 0.4966(4) 0.0393(16) Uani 1 1 d . . . . .
N21 N 0.5137(4) 0.4770(4) 0.6400(4) 0.0336(14) Uani 1 1 d . . . . .
N22 N 0.3472(4) 0.4501(4) 0.5307(4) 0.0347(14) Uani 1 1 d . . . . .
N31 N 0.6551(4) 0.6159(4) 0.9704(4) 0.0292(13) Uani 1 1 d . . . . .
N32 N 0.7425(5) 0.5837(5) 1.1222(4) 0.0407(16) Uani 1 1 d . . . . .
N41 N 0.5870(4) 0.8067(4) 0.9265(4) 0.0298(13) Uani 1 1 d . . . . .
N42 N 0.6036(4) 0.9697(4) 1.0104(4) 0.0348(14) Uani 1 1 d . . . . .
C1N C 0.8167(5) 0.5806(4) 0.6069(4) 0.0234(14) Uani 1 1 d . . . . .
C2N C 0.5555(5) 0.6386(4) 0.6430(4) 0.0270(15) Uani 1 1 d . . . . .
C3N C 0.7926(5) 0.6290(4) 0.9041(4) 0.0231(14) Uani 1 1 d . . . . .
C4N C 0.7288(5) 0.8776(5) 0.8656(4) 0.0271(15) Uani 1 1 d . . . . .
C11 C 0.7877(5) 0.4831(4) 0.5858(4) 0.0265(15) Uani 1 1 d . . . . .
C12 C 0.8173(5) 0.4467(5) 0.5206(4) 0.0319(17) Uani 1 1 d . . . . .
H12 H 0.861487 0.485573 0.491273 0.038 Uiso 1 1 calc R U . . .
C13 C 0.7250(6) 0.3087(5) 0.5413(5) 0.0407(19) Uani 1 1 d . . . . .
H13 H 0.699983 0.246470 0.526546 0.049 Uiso 1 1 calc R U . . .
C14 C 0.6970(6) 0.3439(5) 0.6078(5) 0.0403(19) Uani 1 1 d . . . . .
H14 H 0.655501 0.304594 0.639027 0.048 Uiso 1 1 calc R U . . .
C21 C 0.4899(5) 0.5449(4) 0.6124(4) 0.0245(14) Uani 1 1 d . . . . .
C22 C 0.4089(5) 0.5326(5) 0.5581(4) 0.0321(16) Uani 1 1 d . . . . .
H22 H 0.395502 0.583168 0.539174 0.039 Uiso 1 1 calc R U . . .
C23 C 0.3726(5) 0.3834(5) 0.5577(5) 0.0368(18) Uani 1 1 d . . . . .
H23 H 0.333511 0.324396 0.538966 0.044 Uiso 1 1 calc R U . . .
C24 C 0.4543(5) 0.3965(5) 0.6123(5) 0.0359(18) Uani 1 1 d . . . . .
H24 H 0.468384 0.346039 0.630636 0.043 Uiso 1 1 calc R U . . .
C31 C 0.7407(5) 0.6116(4) 0.9789(4) 0.0262(15) Uani 1 1 d . . . . .
C32 C 0.7833(5) 0.5965(5) 1.0547(4) 0.0337(17) Uani 1 1 d . . . . .
H32 H 0.845370 0.595344 1.058406 0.040 Uiso 1 1 calc R U . . .
C33 C 0.6564(6) 0.5888(5) 1.1123(5) 0.041(2) Uani 1 1 d . . . . .
H33 H 0.624311 0.582687 1.159194 0.049 Uiso 1 1 calc R U . . .
C34 C 0.6118(5) 0.6025(5) 1.0372(5) 0.0356(18) Uani 1 1 d . . . . .
H34 H 0.549276 0.602430 1.033071 0.043 Uiso 1 1 calc R U . . .
C41 C 0.6562(5) 0.8823(5) 0.9190(4) 0.0276(15) Uani 1 1 d . . . . .
C42 C 0.6649(5) 0.9615(4) 0.9626(4) 0.0293(16) Uani 1 1 d . . . . .
H42 H 0.717255 1.012327 0.958026 0.035 Uiso 1 1 calc R U . . .
C43 C 0.5323(5) 0.8950(5) 1.0142(4) 0.0294(16) Uani 1 1 d . . . . .
H43 H 0.484769 0.897522 1.045482 0.035 Uiso 1 1 calc R U . . .
C44 C 0.5248(5) 0.8139(5) 0.9745(5) 0.0337(17) Uani 1 1 d . . . . .
H44 H 0.474347 0.762456 0.981676 0.040 Uiso 1 1 calc R U . . .
C1B C 0.8964(5) 0.7558(5) 0.4548(4) 0.0284(16) Uani 1 1 d . . . . .
C2B C 0.8660(6) 0.6867(5) 0.3923(5) 0.0391(19) Uani 1 1 d . . . . .
H2B H 0.851395 0.627182 0.406587 0.047 Uiso 1 1 calc R U . . .
C3B C 0.8567(6) 0.7036(6) 0.3095(5) 0.051(2) Uani 1 1 d . . . . .
H3B H 0.835593 0.655792 0.267162 0.061 Uiso 1 1 calc R U . . .
C4B C 0.8781(6) 0.7904(6) 0.2881(5) 0.045(2) Uani 1 1 d . . . . .
H4B H 0.871909 0.802626 0.231299 0.054 Uiso 1 1 calc R U . . .
C5B C 0.9085(6) 0.8588(6) 0.3507(5) 0.047(2) Uani 1 1 d . . . . .
H5B H 0.924274 0.918314 0.336228 0.057 Uiso 1 1 calc R U . . .
C6B C 0.9165(6) 0.8432(5) 0.4328(5) 0.0401(19) Uani 1 1 d . . . . .
H6B H 0.935671 0.891263 0.474786 0.048 Uiso 1 1 calc R U . . .
C1E C 1.0273(5) 0.7891(5) 0.6057(4) 0.0281(15) Uani 1 1 d . . . . .
C2E C 1.0551(5) 0.8729(5) 0.6494(5) 0.0316(16) Uani 1 1 d . . . . .
H2E H 1.009594 0.899400 0.658351 0.038 Uiso 1 1 calc R U . . .
C3E C 1.1483(5) 0.9175(5) 0.6796(5) 0.0348(17) Uani 1 1 d . . . . .
H3E H 1.166339 0.974708 0.708526 0.042 Uiso 1 1 calc R U . . .
C4E C 1.2152(5) 0.8800(5) 0.6681(5) 0.0331(17) Uani 1 1 d . . . . .
H4E H 1.279263 0.911683 0.688011 0.040 Uiso 1 1 calc R U . . .
C5E C 1.1894(5) 0.7967(5) 0.6278(5) 0.0325(17) Uani 1 1 d . . . . .
H5E H 1.235302 0.769607 0.622113 0.039 Uiso 1 1 calc R U . . .
C6E C 1.0959(5) 0.7516(5) 0.5952(4) 0.0303(16) Uani 1 1 d . . . . .
H6E H 1.078838 0.694890 0.565598 0.036 Uiso 1 1 calc R U . . .
C1F C 0.5438(5) 0.8571(5) 0.6927(4) 0.0310(16) Uani 1 1 d . . . . .
C2F C 0.5877(5) 0.9457(5) 0.7223(5) 0.0325(17) Uani 1 1 d . . . . .
H2F H 0.644663 0.978660 0.704248 0.039 Uiso 1 1 calc R U . . .
C3F C 0.5498(6) 0.9864(5) 0.7775(5) 0.0403(19) Uani 1 1 d . . . . .
H3F H 0.579927 1.047166 0.796971 0.048 Uiso 1 1 calc R U . . .
C4F C 0.4665(6) 0.9372(6) 0.8042(5) 0.041(2) Uani 1 1 d . . . . .
H4F H 0.440163 0.964493 0.842607 0.049 Uiso 1 1 calc R U . . .
C5F C 0.4221(6) 0.8495(6) 0.7755(5) 0.043(2) Uani 1 1 d . . . . .
H5F H 0.365476 0.816512 0.794091 0.052 Uiso 1 1 calc R U . . .
C6F C 0.4607(6) 0.8085(5) 0.7185(5) 0.0394(19) Uani 1 1 d . . . . .
H6F H 0.430013 0.748152 0.697992 0.047 Uiso 1 1 calc R U . . .
C1G C 0.5946(5) 0.8531(5) 0.5270(5) 0.0323(17) Uani 1 1 d . . . . .
C2G C 0.6661(6) 0.8571(5) 0.4793(5) 0.0362(18) Uani 1 1 d . . . . .
H2G H 0.717259 0.839385 0.501277 0.043 Uiso 1 1 calc R U . . .
C3G C 0.6620(6) 0.8873(5) 0.3997(5) 0.045(2) Uani 1 1 d . . . . .
H3G H 0.710077 0.890310 0.367175 0.054 Uiso 1 1 calc R U . . .
C4G C 0.5862(7) 0.9127(6) 0.3692(5) 0.052(2) Uani 1 1 d . . . . .
H4G H 0.582336 0.932471 0.314901 0.062 Uiso 1 1 calc R U . . .
C5G C 0.5163(6) 0.9097(6) 0.4163(6) 0.052(2) Uani 1 1 d . . . . .
H5G H 0.465984 0.929035 0.395189 0.062 Uiso 1 1 calc R U . . .
C6G C 0.5203(6) 0.8780(5) 0.4946(5) 0.0394(19) Uani 1 1 d . . . . .
H6G H 0.471143 0.873597 0.526168 0.047 Uiso 1 1 calc R U . . .
C1H C 1.0607(5) 0.7183(5) 0.9035(5) 0.0296(16) Uani 1 1 d . . . . .
C2H C 1.1215(5) 0.7925(5) 0.8707(5) 0.0334(17) Uani 1 1 d . . . . .
H2H H 1.100566 0.813488 0.820629 0.040 Uiso 1 1 calc R U . . .
C3H C 1.2120(5) 0.8344(5) 0.9123(5) 0.0391(19) Uani 1 1 d . . . . .
H3H H 1.252777 0.884490 0.890929 0.047 Uiso 1 1 calc R U . . .
C4H C 1.2428(5) 0.8025(5) 0.9855(5) 0.0378(18) Uani 1 1 d . . . . .
H4H H 1.304782 0.830539 1.013586 0.045 Uiso 1 1 calc R U . . .
C5H C 1.1841(5) 0.7314(5) 1.0166(5) 0.0373(18) Uani 1 1 d . . . . .
H5H H 1.205421 0.710362 1.066528 0.045 Uiso 1 1 calc R U . . .
C6H C 1.0944(5) 0.6896(5) 0.9769(4) 0.0331(17) Uani 1 1 d . . . . .
H6H H 1.054655 0.640121 0.999876 0.040 Uiso 1 1 calc R U . . .
C1K C 0.9539(5) 0.5621(5) 0.7985(4) 0.0277(15) Uani 1 1 d . . . . .
C2K C 0.9954(5) 0.5665(5) 0.7253(4) 0.0315(16) Uani 1 1 d . . . . .
H2K H 1.018595 0.621763 0.702367 0.038 Uiso 1 1 calc R U . . .
C3K C 1.0028(6) 0.4900(5) 0.6865(5) 0.0390(19) Uani 1 1 d . . . . .
H3K H 1.029771 0.492970 0.636773 0.047 Uiso 1 1 calc R U . . .
C4K C 0.9703(6) 0.4101(5) 0.7212(5) 0.043(2) Uani 1 1 d . . . . .
H4K H 0.975556 0.357898 0.695675 0.051 Uiso 1 1 calc R U . . .
C5K C 0.9304(6) 0.4062(5) 0.7924(6) 0.050(2) Uani 1 1 d . . . . .
H5K H 0.908483 0.350888 0.815561 0.060 Uiso 1 1 calc R U . . .
C6K C 0.9210(5) 0.4810(5) 0.8318(5) 0.0339(17) Uani 1 1 d . . . . .
H6K H 0.892584 0.476627 0.880745 0.041 Uiso 1 1 calc R U . . .
C1M C 0.9802(5) 1.0346(5) 0.8684(4) 0.0295(16) Uani 1 1 d . . . . .
C2M C 0.9814(5) 1.1016(5) 0.9253(5) 0.042(2) Uani 1 1 d . . . . .
H2M H 0.924502 1.109542 0.934407 0.050 Uiso 1 1 calc R U . . .
C3M C 1.0661(6) 1.1574(5) 0.9692(6) 0.048(2) Uani 1 1 d . . . . .
H3M H 1.067704 1.204449 1.007509 0.058 Uiso 1 1 calc R U . . .
C4M C 1.1468(6) 1.1435(5) 0.9563(5) 0.0409(19) Uani 1 1 d . . . . .
H4M H 1.204847 1.181080 0.986185 0.049 Uiso 1 1 calc R U . . .
C5M C 1.1455(6) 1.0757(5) 0.9006(5) 0.0410(19) Uani 1 1 d . . . . .
H5M H 1.202174 1.066415 0.892703 0.049 Uiso 1 1 calc R U . . .
C6M C 1.0630(5) 1.0223(5) 0.8571(4) 0.0327(17) Uani 1 1 d . . . . .
H6M H 1.062305 0.975956 0.818358 0.039 Uiso 1 1 calc R U . . .
C1Q C 0.8540(5) 1.0352(5) 0.7203(4) 0.0308(16) Uani 1 1 d . . . . .
C2Q C 0.8555(5) 1.0086(6) 0.6386(5) 0.0378(18) Uani 1 1 d . . . . .
H2Q H 0.867154 0.955114 0.625905 0.045 Uiso 1 1 calc R U . . .
C3Q C 0.8402(6) 1.0598(6) 0.5754(5) 0.045(2) Uani 1 1 d . . . . .
H3Q H 0.839483 1.040257 0.519238 0.054 Uiso 1 1 calc R U . . .
C4Q C 0.8261(7) 1.1387(6) 0.5930(6) 0.053(2) Uani 1 1 d . . . . .
H4Q H 0.817602 1.174494 0.549457 0.064 Uiso 1 1 calc R U . . .
C5Q C 0.8242(6) 1.1659(6) 0.6755(6) 0.052(2) Uani 1 1 d . . . . .
H5Q H 0.813166 1.219755 0.687901 0.062 Uiso 1 1 calc R U . . .
C6Q C 0.8385(6) 1.1145(5) 0.7387(5) 0.0395(19) Uani 1 1 d . . . . .
H6Q H 0.837811 1.133154 0.794721 0.047 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy O4P 2.305(5) . ?
Dy O1P 2.322(4) . ?
Dy O2P 2.323(4) . ?
Dy O3P 2.331(4) . ?
Dy O1C 2.367(4) . ?
Dy O4C 2.394(4) . ?
Dy O2C 2.447(4) . ?
Dy O3C 2.477(5) . ?
Dy Na2 3.547(3) . ?
Dy Na1 3.591(3) . ?
Na1 O1C 2.365(5) . ?
Na1 O3C 2.436(5) . ?
Na1 N21 2.472(7) . ?
Na1 O2C 2.483(5) . ?
Na1 N11 2.521(6) . ?
Na1 O3T 2.553(6) . ?
Na1 O2T 2.618(7) . ?
Na1 S1T 3.073(3) . ?
Na1 Na2 3.523(4) . ?
Na2 O1D 2.276(6) . ?
Na2 O4C 2.375(5) . ?
Na2 N31 2.416(7) . ?
Na2 O2C 2.450(5) . ?
Na2 O3C 2.477(5) . ?
Na2 N41 2.611(6) . ?
P1 O1P 1.515(4) . ?
P1 N1P 1.615(6) . ?
P1 C1E 1.790(7) . ?
P1 C1B 1.808(7) . ?
P2 O2P 1.494(5) . ?
P2 N2P 1.633(6) . ?
P2 C1G 1.796(8) . ?
P2 C1F 1.812(7) . ?
P3 O3P 1.507(5) . ?
P3 N3P 1.636(6) . ?
P3 C1H 1.779(7) . ?
P3 C1K 1.805(7) . ?
P4 O4P 1.506(4) . ?
P4 N4P 1.609(6) . ?
P4 C1Q 1.807(7) . ?
P4 C1M 1.812(7) . ?
S1T O1T 1.431(5) . ?
S1T O2T 1.438(6) . ?
S1T O3T 1.444(6) . ?
S1T C1T 1.795(9) . ?
F1T C1T 1.335(10) . ?
F2T C1T 1.343(9) . ?
F3T C1T 1.330(8) . ?
O1D C1D 1.216(8) . ?
N1D C1D 1.328(9) . ?
N1D C2D 1.458(9) . ?
N1D C3D 1.460(10) . ?
C1D H1D 0.9500 . ?
C2D H2D1 0.9800 . ?
C2D H2D2 0.9800 . ?
C2D H2D3 0.9800 . ?
C3D H3D1 0.9800 . ?
C3D H3D2 0.9800 . ?
C3D H3D3 0.9800 . ?
O1C C1N 1.272(8) . ?
O2C C2N 1.274(8) . ?
O3C C3N 1.291(8) . ?
O4C C4N 1.262(8) . ?
N1P C1N 1.328(9) . ?
N2P C2N 1.315(9) . ?
N3P C3N 1.296(8) . ?
N4P C4N 1.316(9) . ?
N11 C14 1.325(9) . ?
N11 C11 1.357(9) . ?
N12 C12 1.330(9) . ?
N12 C13 1.353(10) . ?
N21 C21 1.330(9) . ?
N21 C24 1.332(9) . ?
N22 C23 1.321(9) . ?
N22 C22 1.364(9) . ?
N31 C31 1.326(9) . ?
N31 C34 1.332(8) . ?
N32 C32 1.322(9) . ?
N32 C33 1.337(10) . ?
N41 C44 1.336(9) . ?
N41 C41 1.344(9) . ?
N42 C42 1.329(9) . ?
N42 C43 1.339(9) . ?
C1N C11 1.488(9) . ?
C2N C21 1.527(9) . ?
C3N C31 1.521(9) . ?
C4N C41 1.515(9) . ?
C11 C12 1.386(9) . ?
C12 H12 0.9500 . ?
C13 C14 1.379(11) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C21 C22 1.377(10) . ?
C22 H22 0.9500 . ?
C23 C24 1.386(10) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C31 C32 1.385(10) . ?
C32 H32 0.9500 . ?
C33 C34 1.381(11) . ?
C33 H33 0.9500 . ?
C34 H34 0.9500 . ?
C41 C42 1.385(9) . ?
C42 H42 0.9500 . ?
C43 C44 1.390(10) . ?
C43 H43 0.9500 . ?
C44 H44 0.9500 . ?
C1B C2B 1.388(10) . ?
C1B C6B 1.401(10) . ?
C2B C3B 1.381(11) . ?
C2B H2B 0.9500 . ?
C3B C4B 1.388(12) . ?
C3B H3B 0.9500 . ?
C4B C5B 1.380(12) . ?
C4B H4B 0.9500 . ?
C5B C6B 1.364(10) . ?
C5B H5B 0.9500 . ?
C6B H6B 0.9500 . ?
C1E C6E 1.394(9) . ?
C1E C2E 1.398(10) . ?
C2E C3E 1.382(10) . ?
C2E H2E 0.9500 . ?
C3E C4E 1.374(10) . ?
C3E H3E 0.9500 . ?
C4E C5E 1.371(10) . ?
C4E H4E 0.9500 . ?
C5E C6E 1.396(10) . ?
C5E H5E 0.9500 . ?
C6E H6E 0.9500 . ?
C1F C6F 1.383(11) . ?
C1F C2F 1.389(10) . ?
C2F C3F 1.379(10) . ?
C2F H2F 0.9500 . ?
C3F C4F 1.396(12) . ?
C3F H3F 0.9500 . ?
C4F C5F 1.375(12) . ?
C4F H4F 0.9500 . ?
C5F C6F 1.409(10) . ?
C5F H5F 0.9500 . ?
C6F H6F 0.9500 . ?
C1G C6G 1.374(10) . ?
C1G C2G 1.407(10) . ?
C2G C3G 1.399(10) . ?
C2G H2G 0.9500 . ?
C3G C4G 1.390(12) . ?
C3G H3G 0.9500 . ?
C4G C5G 1.384(13) . ?
C4G H4G 0.9500 . ?
C5G C6G 1.390(11) . ?
C5G H5G 0.9500 . ?
C6G H6G 0.9500 . ?
C1H C6H 1.392(10) . ?
C1H C2H 1.419(10) . ?
C2H C3H 1.392(10) . ?
C2H H2H 0.9500 . ?
C3H C4H 1.399(11) . ?
C3H H3H 0.9500 . ?
C4H C5H 1.360(11) . ?
C4H H4H 0.9500 . ?
C5H C6H 1.372(10) . ?
C5H H5H 0.9500 . ?
C6H H6H 0.9500 . ?
C1K C6K 1.388(10) . ?
C1K C2K 1.413(9) . ?
C2K C3K 1.398(10) . ?
C2K H2K 0.9500 . ?
C3K C4K 1.383(11) . ?
C3K H3K 0.9500 . ?
C4K C5K 1.371(11) . ?
C4K H4K 0.9500 . ?
C5K C6K 1.392(10) . ?
C5K H5K 0.9500 . ?
C6K H6K 0.9500 . ?
C1M C6M 1.379(9) . ?
C1M C2M 1.381(10) . ?
C2M C3M 1.393(11) . ?
C2M H2M 0.9500 . ?
C3M C4M 1.366(11) . ?
C3M H3M 0.9500 . ?
C4M C5M 1.378(11) . ?
C4M H4M 0.9500 . ?
C5M C6M 1.356(10) . ?
C5M H5M 0.9500 . ?
C6M H6M 0.9500 . ?
C1Q C2Q 1.384(10) . ?
C1Q C6Q 1.393(10) . ?
C2Q C3Q 1.381(11) . ?
C2Q H2Q 0.9500 . ?
C3Q C4Q 1.375(12) . ?
C3Q H3Q 0.9500 . ?
C4Q C5Q 1.399(12) . ?
C4Q H4Q 0.9500 . ?
C5Q C6Q 1.380(11) . ?
C5Q H5Q 0.9500 . ?
C6Q H6Q 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O4P Dy O1P 77.61(16) . . ?
O4P Dy O2P 80.30(16) . . ?
O1P Dy O2P 74.60(16) . . ?
O4P Dy O3P 76.29(16) . . ?
O1P Dy O3P 87.52(16) . . ?
O2P Dy O3P 153.11(17) . . ?
O4P Dy O1C 140.94(15) . . ?
O1P Dy O1C 74.74(16) . . ?
O2P Dy O1C 117.34(16) . . ?
O3P Dy O1C 75.48(16) . . ?
O4P Dy O4C 75.76(15) . . ?
O1P Dy O4C 142.48(15) . . ?
O2P Dy O4C 75.25(16) . . ?
O3P Dy O4C 110.96(16) . . ?
O1C Dy O4C 140.21(15) . . ?
O4P Dy O2C 148.02(15) . . ?
O1P Dy O2C 111.99(16) . . ?
O2P Dy O2C 73.66(16) . . ?
O3P Dy O2C 132.62(16) . . ?
O1C Dy O2C 69.50(15) . . ?
O4C Dy O2C 79.86(15) . . ?
O4P Dy O3C 120.84(16) . . ?
O1P Dy O3C 148.59(15) . . ?
O2P Dy O3C 130.19(15) . . ?
O3P Dy O3C 74.33(16) . . ?
O1C Dy O3C 75.98(15) . . ?
O4C Dy O3C 68.88(15) . . ?
O2C Dy O3C 67.07(15) . . ?
O4P Dy Na2 117.38(12) . . ?
O1P Dy Na2 153.46(12) . . ?
O2P Dy Na2 86.07(12) . . ?
O3P Dy Na2 116.44(12) . . ?
O1C Dy Na2 99.24(12) . . ?
O4C Dy Na2 41.74(12) . . ?
O2C Dy Na2 43.61(11) . . ?
O3C Dy Na2 44.26(11) . . ?
O4P Dy Na1 161.55(12) . . ?
O1P Dy Na1 113.52(12) . . ?
O2P Dy Na1 116.21(13) . . ?
O3P Dy Na1 89.15(13) . . ?
O1C Dy Na1 40.62(12) . . ?
O4C Dy Na1 99.60(12) . . ?
O2C Dy Na1 43.66(11) . . ?
O3C Dy Na1 42.60(12) . . ?
Na2 Dy Na1 59.14(6) . . ?
O1C Na1 O3C 76.80(17) . . ?
O1C Na1 N21 104.8(2) . . ?
O3C Na1 N21 129.2(2) . . ?
O1C Na1 O2C 68.92(16) . . ?
O3C Na1 O2C 67.12(16) . . ?
N21 Na1 O2C 66.70(18) . . ?
O1C Na1 N11 66.56(18) . . ?
O3C Na1 N11 131.4(2) . . ?
N21 Na1 N11 91.5(2) . . ?
O2C Na1 N11 122.37(19) . . ?
O1C Na1 O3T 168.1(2) . . ?
O3C Na1 O3T 91.40(19) . . ?
N21 Na1 O3T 81.5(2) . . ?
O2C Na1 O3T 105.47(18) . . ?
N11 Na1 O3T 124.0(2) . . ?
O1C Na1 O2T 124.31(19) . . ?
O3C Na1 O2T 88.21(19) . . ?
N21 Na1 O2T 125.0(2) . . ?
O2C Na1 O2T 149.54(19) . . ?
N11 Na1 O2T 87.1(2) . . ?
O3T Na1 O2T 55.53(18) . . ?
O1C Na1 S1T 151.37(16) . . ?
O3C Na1 S1T 91.66(14) . . ?
N21 Na1 S1T 102.79(17) . . ?
O2C Na1 S1T 130.67(14) . . ?
N11 Na1 S1T 105.32(16) . . ?
O3T Na1 S1T 27.83(13) . . ?
O2T Na1 S1T 27.82(13) . . ?
O1C Na1 Na2 99.96(14) . . ?
O3C Na1 Na2 44.65(12) . . ?
N21 Na1 Na2 86.63(16) . . ?
O2C Na1 Na2 44.05(12) . . ?
N11 Na1 Na2 165.44(17) . . ?
O3T Na1 Na2 70.03(15) . . ?
O2T Na1 Na2 105.77(16) . . ?
S1T Na1 Na2 89.16(9) . . ?
O1C Na1 Dy 40.67(11) . . ?
O3C Na1 Dy 43.48(12) . . ?
N21 Na1 Dy 106.41(16) . . ?
O2C Na1 Dy 42.85(11) . . ?
N11 Na1 Dy 107.17(16) . . ?
O3T Na1 Dy 128.22(16) . . ?
O2T Na1 Dy 126.43(16) . . ?
S1T Na1 Dy 135.13(9) . . ?
Na2 Na1 Dy 59.82(7) . . ?
O1D Na2 O4C 137.4(2) . . ?
O1D Na2 N31 117.6(2) . . ?
O4C Na2 N31 101.2(2) . . ?
O1D Na2 O2C 87.32(19) . . ?
O4C Na2 O2C 80.15(17) . . ?
N31 Na2 O2C 130.2(2) . . ?
O1D Na2 O3C 140.7(2) . . ?
O4C Na2 O3C 69.16(16) . . ?
N31 Na2 O3C 67.32(18) . . ?
O2C Na2 O3C 67.02(16) . . ?
O1D Na2 N41 94.7(2) . . ?
O4C Na2 N41 65.76(17) . . ?
N31 Na2 N41 91.4(2) . . ?
O2C Na2 N41 131.2(2) . . ?
O3C Na2 N41 124.5(2) . . ?
O1D Na2 Na1 97.09(17) . . ?
O4C Na2 Na1 101.84(13) . . ?
N31 Na2 Na1 87.57(15) . . ?
O2C Na2 Na1 44.81(12) . . ?
O3C Na2 Na1 43.73(12) . . ?
N41 Na2 Na1 167.13(17) . . ?
O1D Na2 Dy 128.76(17) . . ?
O4C Na2 Dy 42.13(10) . . ?
N31 Na2 Dy 107.70(16) . . ?
O2C Na2 Dy 43.54(11) . . ?
O3C Na2 Dy 44.26(11) . . ?
N41 Na2 Dy 107.27(15) . . ?
Na1 Na2 Dy 61.04(6) . . ?
O1P P1 N1P 118.3(3) . . ?
O1P P1 C1E 108.6(3) . . ?
N1P P1 C1E 109.1(3) . . ?
O1P P1 C1B 109.2(3) . . ?
N1P P1 C1B 105.1(3) . . ?
C1E P1 C1B 105.8(3) . . ?
O2P P2 N2P 117.8(3) . . ?
O2P P2 C1G 109.3(3) . . ?
N2P P2 C1G 104.9(3) . . ?
O2P P2 C1F 111.1(3) . . ?
N2P P2 C1F 106.1(3) . . ?
C1G P2 C1F 107.0(3) . . ?
O3P P3 N3P 117.9(3) . . ?
O3P P3 C1H 109.7(3) . . ?
N3P P3 C1H 104.2(3) . . ?
O3P P3 C1K 112.2(3) . . ?
N3P P3 C1K 106.7(3) . . ?
C1H P3 C1K 105.2(3) . . ?
O4P P4 N4P 119.4(3) . . ?
O4P P4 C1Q 110.1(3) . . ?
N4P P4 C1Q 105.7(3) . . ?
O4P P4 C1M 108.9(3) . . ?
N4P P4 C1M 106.0(3) . . ?
C1Q P4 C1M 105.8(3) . . ?
O1T S1T O2T 116.4(4) . . ?
O1T S1T O3T 115.1(3) . . ?
O2T S1T O3T 113.5(4) . . ?
O1T S1T C1T 103.6(3) . . ?
O2T S1T C1T 103.3(4) . . ?
O3T S1T C1T 102.5(4) . . ?
O1T S1T Na1 147.8(2) . . ?
O2T S1T Na1 58.2(3) . . ?
O3T S1T Na1 55.6(2) . . ?
C1T S1T Na1 108.5(3) . . ?
S1T O2T Na1 94.0(3) . . ?
S1T O3T Na1 96.5(3) . . ?
F3T C1T F1T 106.9(6) . . ?
F3T C1T F2T 106.6(7) . . ?
F1T C1T F2T 105.7(7) . . ?
F3T C1T S1T 112.4(6) . . ?
F1T C1T S1T 112.6(6) . . ?
F2T C1T S1T 112.2(6) . . ?
C1D O1D Na2 127.5(5) . . ?
C1D N1D C2D 121.9(7) . . ?
C1D N1D C3D 120.2(6) . . ?
C2D N1D C3D 117.6(6) . . ?
O1D C1D N1D 126.1(7) . . ?
O1D C1D H1D 116.9 . . ?
N1D C1D H1D 116.9 . . ?
N1D C2D H2D1 109.5 . . ?
N1D C2D H2D2 109.5 . . ?
H2D1 C2D H2D2 109.5 . . ?
N1D C2D H2D3 109.5 . . ?
H2D1 C2D H2D3 109.5 . . ?
H2D2 C2D H2D3 109.5 . . ?
N1D C3D H3D1 109.5 . . ?
N1D C3D H3D2 109.5 . . ?
H3D1 C3D H3D2 109.5 . . ?
N1D C3D H3D3 109.5 . . ?
H3D1 C3D H3D3 109.5 . . ?
H3D2 C3D H3D3 109.5 . . ?
C1N O1C Na1 124.1(4) . . ?
C1N O1C Dy 137.0(4) . . ?
Na1 O1C Dy 98.72(17) . . ?
C2N O2C Dy 133.2(4) . . ?
C2N O2C Na2 116.6(4) . . ?
Dy O2C Na2 92.86(16) . . ?
C2N O2C Na1 119.5(4) . . ?
Dy O2C Na1 93.49(16) . . ?
Na2 O2C Na1 91.14(17) . . ?
C3N O3C Na1 121.6(4) . . ?
C3N O3C Dy 130.9(4) . . ?
Na1 O3C Dy 93.91(17) . . ?
C3N O3C Na2 117.6(4) . . ?
Na1 O3C Na2 91.62(18) . . ?
Dy O3C Na2 91.48(16) . . ?
C4N O4C Na2 125.6(4) . . ?
C4N O4C Dy 135.5(4) . . ?
Na2 O4C Dy 96.12(16) . . ?
P1 O1P Dy 127.9(3) . . ?
P2 O2P Dy 135.2(3) . . ?
P3 O3P Dy 132.8(3) . . ?
P4 O4P Dy 130.0(3) . . ?
C1N N1P P1 123.0(5) . . ?
C2N N2P P2 121.4(5) . . ?
C3N N3P P3 121.9(5) . . ?
C4N N4P P4 124.0(5) . . ?
C14 N11 C11 116.1(6) . . ?
C14 N11 Na1 128.2(5) . . ?
C11 N11 Na1 115.3(4) . . ?
C12 N12 C13 115.1(6) . . ?
C21 N21 C24 115.9(6) . . ?
C21 N21 Na1 117.8(5) . . ?
C24 N21 Na1 126.2(5) . . ?
C23 N22 C22 115.1(7) . . ?
C31 N31 C34 116.9(6) . . ?
C31 N31 Na2 118.2(4) . . ?
C34 N31 Na2 124.3(5) . . ?
C32 N32 C33 114.3(7) . . ?
C44 N41 C41 115.9(6) . . ?
C44 N41 Na2 130.5(5) . . ?
C41 N41 Na2 113.6(4) . . ?
C42 N42 C43 114.9(6) . . ?
O1C C1N N1P 127.9(6) . . ?
O1C C1N C11 117.0(6) . . ?
N1P C1N C11 115.1(6) . . ?
O2C C2N N2P 128.6(6) . . ?
O2C C2N C21 116.7(6) . . ?
N2P C2N C21 114.6(6) . . ?
O3C C3N N3P 127.8(6) . . ?
O3C C3N C31 116.1(6) . . ?
N3P C3N C31 116.1(6) . . ?
O4C C4N N4P 128.5(6) . . ?
O4C C4N C41 116.6(6) . . ?
N4P C4N C41 114.8(6) . . ?
N11 C11 C12 120.4(6) . . ?
N11 C11 C1N 117.0(6) . . ?
C12 C11 C1N 122.4(6) . . ?
N12 C12 C11 123.7(7) . . ?
N12 C12 H12 118.2 . . ?
C11 C12 H12 118.2 . . ?
N12 C13 C14 121.7(7) . . ?
N12 C13 H13 119.1 . . ?
C14 C13 H13 119.1 . . ?
N11 C14 C13 122.9(7) . . ?
N11 C14 H14 118.6 . . ?
C13 C14 H14 118.6 . . ?
N21 C21 C22 122.1(6) . . ?
N21 C21 C2N 117.8(6) . . ?
C22 C21 C2N 120.2(6) . . ?
N22 C22 C21 122.1(7) . . ?
N22 C22 H22 119.0 . . ?
C21 C22 H22 119.0 . . ?
N22 C23 C24 122.3(7) . . ?
N22 C23 H23 118.8 . . ?
C24 C23 H23 118.8 . . ?
N21 C24 C23 122.5(7) . . ?
N21 C24 H24 118.8 . . ?
C23 C24 H24 118.8 . . ?
N31 C31 C32 120.9(6) . . ?
N31 C31 C3N 117.8(6) . . ?
C32 C31 C3N 121.2(6) . . ?
N32 C32 C31 123.6(7) . . ?
N32 C32 H32 118.2 . . ?
C31 C32 H32 118.2 . . ?
N32 C33 C34 123.2(7) . . ?
N32 C33 H33 118.4 . . ?
C34 C33 H33 118.4 . . ?
N31 C34 C33 121.0(7) . . ?
N31 C34 H34 119.5 . . ?
C33 C34 H34 119.5 . . ?
N41 C41 C42 121.6(6) . . ?
N41 C41 C4N 118.0(6) . . ?
C42 C41 C4N 120.3(6) . . ?
N42 C42 C41 123.1(7) . . ?
N42 C42 H42 118.4 . . ?
C41 C42 H42 118.4 . . ?
N42 C43 C44 122.9(6) . . ?
N42 C43 H43 118.6 . . ?
C44 C43 H43 118.6 . . ?
N41 C44 C43 121.5(7) . . ?
N41 C44 H44 119.2 . . ?
C43 C44 H44 119.2 . . ?
C2B C1B C6B 119.0(7) . . ?
C2B C1B P1 121.8(6) . . ?
C6B C1B P1 119.1(5) . . ?
C3B C2B C1B 120.7(8) . . ?
C3B C2B H2B 119.7 . . ?
C1B C2B H2B 119.7 . . ?
C2B C3B C4B 120.0(8) . . ?
C2B C3B H3B 120.0 . . ?
C4B C3B H3B 120.0 . . ?
C5B C4B C3B 118.9(8) . . ?
C5B C4B H4B 120.5 . . ?
C3B C4B H4B 120.5 . . ?
C6B C5B C4B 121.8(8) . . ?
C6B C5B H5B 119.1 . . ?
C4B C5B H5B 119.1 . . ?
C5B C6B C1B 119.6(7) . . ?
C5B C6B H6B 120.2 . . ?
C1B C6B H6B 120.2 . . ?
C6E C1E C2E 118.0(6) . . ?
C6E C1E P1 122.9(5) . . ?
C2E C1E P1 119.0(5) . . ?
C3E C2E C1E 120.6(7) . . ?
C3E C2E H2E 119.7 . . ?
C1E C2E H2E 119.7 . . ?
C4E C3E C2E 120.6(7) . . ?
C4E C3E H3E 119.7 . . ?
C2E C3E H3E 119.7 . . ?
C5E C4E C3E 119.9(7) . . ?
C5E C4E H4E 120.0 . . ?
C3E C4E H4E 120.0 . . ?
C4E C5E C6E 120.1(6) . . ?
C4E C5E H5E 119.9 . . ?
C6E C5E H5E 119.9 . . ?
C1E C6E C5E 120.6(7) . . ?
C1E C6E H6E 119.7 . . ?
C5E C6E H6E 119.7 . . ?
C6F C1F C2F 120.0(7) . . ?
C6F C1F P2 121.3(6) . . ?
C2F C1F P2 118.7(6) . . ?
C3F C2F C1F 121.0(7) . . ?
C3F C2F H2F 119.5 . . ?
C1F C2F H2F 119.5 . . ?
C2F C3F C4F 119.1(7) . . ?
C2F C3F H3F 120.5 . . ?
C4F C3F H3F 120.5 . . ?
C5F C4F C3F 120.7(7) . . ?
C5F C4F H4F 119.7 . . ?
C3F C4F H4F 119.7 . . ?
C4F C5F C6F 120.0(8) . . ?
C4F C5F H5F 120.0 . . ?
C6F C5F H5F 120.0 . . ?
C1F C6F C5F 119.3(8) . . ?
C1F C6F H6F 120.3 . . ?
C5F C6F H6F 120.3 . . ?
C6G C1G C2G 119.6(7) . . ?
C6G C1G P2 123.0(6) . . ?
C2G C1G P2 117.2(6) . . ?
C3G C2G C1G 120.2(8) . . ?
C3G C2G H2G 119.9 . . ?
C1G C2G H2G 119.9 . . ?
C4G C3G C2G 118.6(8) . . ?
C4G C3G H3G 120.7 . . ?
C2G C3G H3G 120.7 . . ?
C5G C4G C3G 121.4(8) . . ?
C5G C4G H4G 119.3 . . ?
C3G C4G H4G 119.3 . . ?
C4G C5G C6G 119.4(8) . . ?
C4G C5G H5G 120.3 . . ?
C6G C5G H5G 120.3 . . ?
C1G C6G C5G 120.8(8) . . ?
C1G C6G H6G 119.6 . . ?
C5G C6G H6G 119.6 . . ?
C6H C1H C2H 118.2(7) . . ?
C6H C1H P3 123.4(6) . . ?
C2H C1H P3 118.3(6) . . ?
C3H C2H C1H 119.8(7) . . ?
C3H C2H H2H 120.1 . . ?
C1H C2H H2H 120.1 . . ?
C2H C3H C4H 119.8(7) . . ?
C2H C3H H3H 120.1 . . ?
C4H C3H H3H 120.1 . . ?
C5H C4H C3H 120.1(7) . . ?
C5H C4H H4H 120.0 . . ?
C3H C4H H4H 120.0 . . ?
C4H C5H C6H 121.0(7) . . ?
C4H C5H H5H 119.5 . . ?
C6H C5H H5H 119.5 . . ?
C5H C6H C1H 121.2(7) . . ?
C5H C6H H6H 119.4 . . ?
C1H C6H H6H 119.4 . . ?
C6K C1K C2K 119.1(6) . . ?
C6K C1K P3 122.6(5) . . ?
C2K C1K P3 118.2(5) . . ?
C3K C2K C1K 120.5(7) . . ?
C3K C2K H2K 119.7 . . ?
C1K C2K H2K 119.7 . . ?
C4K C3K C2K 119.3(7) . . ?
C4K C3K H3K 120.4 . . ?
C2K C3K H3K 120.4 . . ?
C5K C4K C3K 120.0(7) . . ?
C5K C4K H4K 120.0 . . ?
C3K C4K H4K 120.0 . . ?
C4K C5K C6K 121.9(8) . . ?
C4K C5K H5K 119.0 . . ?
C6K C5K H5K 119.0 . . ?
C1K C6K C5K 119.1(7) . . ?
C1K C6K H6K 120.5 . . ?
C5K C6K H6K 120.5 . . ?
C6M C1M C2M 119.5(7) . . ?
C6M C1M P4 118.2(5) . . ?
C2M C1M P4 122.2(6) . . ?
C1M C2M C3M 120.0(7) . . ?
C1M C2M H2M 120.0 . . ?
C3M C2M H2M 120.0 . . ?
C4M C3M C2M 118.9(7) . . ?
C4M C3M H3M 120.5 . . ?
C2M C3M H3M 120.5 . . ?
C3M C4M C5M 121.1(8) . . ?
C3M C4M H4M 119.5 . . ?
C5M C4M H4M 119.5 . . ?
C6M C5M C4M 119.8(8) . . ?
C6M C5M H5M 120.1 . . ?
C4M C5M H5M 120.1 . . ?
C5M C6M C1M 120.7(7) . . ?
C5M C6M H6M 119.6 . . ?
C1M C6M H6M 119.6 . . ?
C2Q C1Q C6Q 119.7(7) . . ?
C2Q C1Q P4 119.2(6) . . ?
C6Q C1Q P4 121.1(6) . . ?
C3Q C2Q C1Q 120.1(7) . . ?
C3Q C2Q H2Q 119.9 . . ?
C1Q C2Q H2Q 119.9 . . ?
C4Q C3Q C2Q 120.6(8) . . ?
C4Q C3Q H3Q 119.7 . . ?
C2Q C3Q H3Q 119.7 . . ?
C3Q C4Q C5Q 119.6(8) . . ?
C3Q C4Q H4Q 120.2 . . ?
C5Q C4Q H4Q 120.2 . . ?
C6Q C5Q C4Q 119.9(8) . . ?
C6Q C5Q H5Q 120.1 . . ?
C4Q C5Q H5Q 120.0 . . ?
C5Q C6Q C1Q 120.0(7) . . ?
C5Q C6Q H6Q 120.0 . . ?
C1Q C6Q H6Q 120.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1T S1T O2T Na1 -143.5(3) . . . . ?
O3T S1T O2T Na1 -6.4(4) . . . . ?
C1T S1T O2T Na1 103.8(3) . . . . ?
O1T S1T O3T Na1 144.2(3) . . . . ?
O2T S1T O3T Na1 6.6(4) . . . . ?
C1T S1T O3T Na1 -104.1(3) . . . . ?
O1T S1T C1T F3T -179.7(6) . . . . ?
O2T S1T C1T F3T -57.9(7) . . . . ?
O3T S1T C1T F3T 60.3(7) . . . . ?
Na1 S1T C1T F3T 2.6(7) . . . . ?
O1T S1T C1T F1T -58.9(6) . . . . ?
O2T S1T C1T F1T 62.9(6) . . . . ?
O3T S1T C1T F1T -178.9(6) . . . . ?
Na1 S1T C1T F1T 123.4(5) . . . . ?
O1T S1T C1T F2T 60.2(6) . . . . ?
O2T S1T C1T F2T -178.0(5) . . . . ?
O3T S1T C1T F2T -59.9(6) . . . . ?
Na1 S1T C1T F2T -117.5(5) . . . . ?
Na2 O1D C1D N1D 161.2(6) . . . . ?
C2D N1D C1D O1D 176.4(7) . . . . ?
C3D N1D C1D O1D 3.5(12) . . . . ?
N1P P1 O1P Dy 36.1(4) . . . . ?
C1E P1 O1P Dy -88.9(4) . . . . ?
C1B P1 O1P Dy 156.2(3) . . . . ?
N2P P2 O2P Dy -18.7(5) . . . . ?
C1G P2 O2P Dy -138.2(4) . . . . ?
C1F P2 O2P Dy 103.9(4) . . . . ?
N3P P3 O3P Dy -26.2(5) . . . . ?
C1H P3 O3P Dy -145.1(4) . . . . ?
C1K P3 O3P Dy 98.3(4) . . . . ?
N4P P4 O4P Dy 26.0(5) . . . . ?
C1Q P4 O4P Dy -96.5(4) . . . . ?
C1M P4 O4P Dy 148.0(3) . . . . ?
O1P P1 N1P C1N -5.3(7) . . . . ?
C1E P1 N1P C1N 119.5(6) . . . . ?
C1B P1 N1P C1N -127.4(6) . . . . ?
O2P P2 N2P C2N 21.9(6) . . . . ?
C1G P2 N2P C2N 143.6(5) . . . . ?
C1F P2 N2P C2N -103.2(6) . . . . ?
O3P P3 N3P C3N 27.9(7) . . . . ?
C1H P3 N3P C3N 149.7(5) . . . . ?
C1K P3 N3P C3N -99.4(6) . . . . ?
O4P P4 N4P C4N -6.0(7) . . . . ?
C1Q P4 N4P C4N 118.6(6) . . . . ?
C1M P4 N4P C4N -129.4(6) . . . . ?
Na1 O1C C1N N1P -178.8(5) . . . . ?
Dy O1C C1N N1P -4.9(11) . . . . ?
Na1 O1C C1N C11 3.3(8) . . . . ?
Dy O1C C1N C11 177.1(4) . . . . ?
P1 N1P C1N O1C -10.9(10) . . . . ?
P1 N1P C1N C11 167.0(5) . . . . ?
Dy O2C C2N N2P -36.9(10) . . . . ?
Na2 O2C C2N N2P 86.3(8) . . . . ?
Na1 O2C C2N N2P -165.7(5) . . . . ?
Dy O2C C2N C21 142.7(4) . . . . ?
Na2 O2C C2N C21 -94.1(5) . . . . ?
Na1 O2C C2N C21 13.9(7) . . . . ?
P2 N2P C2N O2C 4.4(10) . . . . ?
P2 N2P C2N C21 -175.2(4) . . . . ?
Na1 O3C C3N N3P 87.5(8) . . . . ?
Dy O3C C3N N3P -42.1(9) . . . . ?
Na2 O3C C3N N3P -161.5(5) . . . . ?
Na1 O3C C3N C31 -93.3(5) . . . . ?
Dy O3C C3N C31 137.1(5) . . . . ?
Na2 O3C C3N C31 17.7(7) . . . . ?
P3 N3P C3N O3C 5.6(10) . . . . ?
P3 N3P C3N C31 -173.6(4) . . . . ?
Na2 O4C C4N N4P -172.5(5) . . . . ?
Dy O4C C4N N4P -16.1(11) . . . . ?
Na2 O4C C4N C41 8.0(8) . . . . ?
Dy O4C C4N C41 164.3(4) . . . . ?
P4 N4P C4N O4C 0.9(11) . . . . ?
P4 N4P C4N C41 -179.5(5) . . . . ?
C14 N11 C11 C12 1.1(10) . . . . ?
Na1 N11 C11 C12 -172.1(5) . . . . ?
C14 N11 C11 C1N 177.0(6) . . . . ?
Na1 N11 C11 C1N 3.7(8) . . . . ?
O1C C1N C11 N11 -4.7(9) . . . . ?
N1P C1N C11 N11 177.1(6) . . . . ?
O1C C1N C11 C12 171.1(7) . . . . ?
N1P C1N C11 C12 -7.1(10) . . . . ?
C13 N12 C12 C11 -0.4(11) . . . . ?
N11 C11 C12 N12 0.6(12) . . . . ?
C1N C11 C12 N12 -175.1(7) . . . . ?
C12 N12 C13 C14 -1.3(12) . . . . ?
C11 N11 C14 C13 -2.9(12) . . . . ?
Na1 N11 C14 C13 169.3(6) . . . . ?
N12 C13 C14 N11 3.2(13) . . . . ?
C24 N21 C21 C22 -0.2(10) . . . . ?
Na1 N21 C21 C22 177.7(5) . . . . ?
C24 N21 C21 C2N 179.5(6) . . . . ?
Na1 N21 C21 C2N -2.5(8) . . . . ?
O2C C2N C21 N21 -7.6(9) . . . . ?
N2P C2N C21 N21 172.1(6) . . . . ?
O2C C2N C21 C22 172.2(6) . . . . ?
N2P C2N C21 C22 -8.2(9) . . . . ?
C23 N22 C22 C21 -2.3(10) . . . . ?
N21 C21 C22 N22 1.3(11) . . . . ?
C2N C21 C22 N22 -178.4(6) . . . . ?
C22 N22 C23 C24 2.3(11) . . . . ?
C21 N21 C24 C23 0.3(11) . . . . ?
Na1 N21 C24 C23 -177.5(6) . . . . ?
N22 C23 C24 N21 -1.4(12) . . . . ?
C34 N31 C31 C32 -2.0(10) . . . . ?
Na2 N31 C31 C32 169.3(5) . . . . ?
C34 N31 C31 C3N -178.4(6) . . . . ?
Na2 N31 C31 C3N -7.2(7) . . . . ?
O3C C3N C31 N31 -7.4(8) . . . . ?
N3P C3N C31 N31 171.9(6) . . . . ?
O3C C3N C31 C32 176.2(6) . . . . ?
N3P C3N C31 C32 -4.5(9) . . . . ?
C33 N32 C32 C31 -1.8(11) . . . . ?
N31 C31 C32 N32 1.6(11) . . . . ?
C3N C31 C32 N32 177.9(7) . . . . ?
C32 N32 C33 C34 2.6(11) . . . . ?
C31 N31 C34 C33 2.8(10) . . . . ?
Na2 N31 C34 C33 -167.9(6) . . . . ?
N32 C33 C34 N31 -3.3(12) . . . . ?
C44 N41 C41 C42 3.7(10) . . . . ?
Na2 N41 C41 C42 -176.1(5) . . . . ?
C44 N41 C41 C4N 179.8(6) . . . . ?
Na2 N41 C41 C4N 0.0(8) . . . . ?
O4C C4N C41 N41 -4.8(9) . . . . ?
N4P C4N C41 N41 175.6(6) . . . . ?
O4C C4N C41 C42 171.4(6) . . . . ?
N4P C4N C41 C42 -8.3(10) . . . . ?
C43 N42 C42 C41 0.6(11) . . . . ?
N41 C41 C42 N42 -4.0(11) . . . . ?
C4N C41 C42 N42 180.0(7) . . . . ?
C42 N42 C43 C44 2.8(11) . . . . ?
C41 N41 C44 C43 -0.3(10) . . . . ?
Na2 N41 C44 C43 179.3(5) . . . . ?
N42 C43 C44 N41 -3.1(12) . . . . ?
O1P P1 C1B C2B -124.1(6) . . . . ?
N1P P1 C1B C2B 3.8(7) . . . . ?
C1E P1 C1B C2B 119.2(6) . . . . ?
O1P P1 C1B C6B 53.5(6) . . . . ?
N1P P1 C1B C6B -178.6(6) . . . . ?
C1E P1 C1B C6B -63.2(6) . . . . ?
C6B C1B C2B C3B 0.8(11) . . . . ?
P1 C1B C2B C3B 178.4(6) . . . . ?
C1B C2B C3B C4B 0.2(13) . . . . ?
C2B C3B C4B C5B 0.0(13) . . . . ?
C3B C4B C5B C6B -1.1(13) . . . . ?
C4B C5B C6B C1B 2.1(13) . . . . ?
C2B C1B C6B C5B -1.9(11) . . . . ?
P1 C1B C6B C5B -179.6(6) . . . . ?
O1P P1 C1E C6E 163.7(5) . . . . ?
N1P P1 C1E C6E 33.4(7) . . . . ?
C1B P1 C1E C6E -79.2(6) . . . . ?
O1P P1 C1E C2E -17.9(7) . . . . ?
N1P P1 C1E C2E -148.2(6) . . . . ?
C1B P1 C1E C2E 99.3(6) . . . . ?
C6E C1E C2E C3E 1.2(11) . . . . ?
P1 C1E C2E C3E -177.3(6) . . . . ?
C1E C2E C3E C4E -0.7(11) . . . . ?
C2E C3E C4E C5E -1.3(11) . . . . ?
C3E C4E C5E C6E 2.9(11) . . . . ?
C2E C1E C6E C5E 0.3(10) . . . . ?
P1 C1E C6E C5E 178.8(6) . . . . ?
C4E C5E C6E C1E -2.3(11) . . . . ?
O2P P2 C1F C6F -128.1(6) . . . . ?
N2P P2 C1F C6F 1.1(7) . . . . ?
C1G P2 C1F C6F 112.7(6) . . . . ?
O2P P2 C1F C2F 48.3(6) . . . . ?
N2P P2 C1F C2F 177.4(5) . . . . ?
C1G P2 C1F C2F -70.9(6) . . . . ?
C6F C1F C2F C3F 0.1(11) . . . . ?
P2 C1F C2F C3F -176.4(6) . . . . ?
C1F C2F C3F C4F 0.6(11) . . . . ?
C2F C3F C4F C5F -0.6(11) . . . . ?
C3F C4F C5F C6F 0.0(12) . . . . ?
C2F C1F C6F C5F -0.7(11) . . . . ?
P2 C1F C6F C5F 175.6(6) . . . . ?
C4F C5F C6F C1F 0.7(12) . . . . ?
O2P P2 C1G C6G -154.0(6) . . . . ?
N2P P2 C1G C6G 78.8(7) . . . . ?
C1F P2 C1G C6G -33.7(7) . . . . ?
O2P P2 C1G C2G 31.2(6) . . . . ?
N2P P2 C1G C2G -95.9(6) . . . . ?
C1F P2 C1G C2G 151.6(6) . . . . ?
C6G C1G C2G C3G 0.6(11) . . . . ?
P2 C1G C2G C3G 175.5(6) . . . . ?
C1G C2G C3G C4G -0.1(12) . . . . ?
C2G C3G C4G C5G 0.8(13) . . . . ?
C3G C4G C5G C6G -2.0(13) . . . . ?
C2G C1G C6G C5G -1.9(12) . . . . ?
P2 C1G C6G C5G -176.5(6) . . . . ?
C4G C5G C6G C1G 2.5(13) . . . . ?
O3P P3 C1H C6H 167.1(5) . . . . ?
N3P P3 C1H C6H 40.1(6) . . . . ?
C1K P3 C1H C6H -72.0(6) . . . . ?
O3P P3 C1H C2H -16.3(6) . . . . ?
N3P P3 C1H C2H -143.4(5) . . . . ?
C1K P3 C1H C2H 104.5(6) . . . . ?
C6H C1H C2H C3H -0.3(10) . . . . ?
P3 C1H C2H C3H -177.0(5) . . . . ?
C1H C2H C3H C4H 0.7(11) . . . . ?
C2H C3H C4H C5H -0.8(11) . . . . ?
C3H C4H C5H C6H 0.3(12) . . . . ?
C4H C5H C6H C1H 0.1(11) . . . . ?
C2H C1H C6H C5H -0.2(10) . . . . ?
P3 C1H C6H C5H 176.4(6) . . . . ?
O3P P3 C1K C6K -142.0(6) . . . . ?
N3P P3 C1K C6K -11.5(7) . . . . ?
C1H P3 C1K C6K 98.8(7) . . . . ?
O3P P3 C1K C2K 39.2(6) . . . . ?
N3P P3 C1K C2K 169.7(5) . . . . ?
C1H P3 C1K C2K -80.1(6) . . . . ?
C6K C1K C2K C3K 0.5(10) . . . . ?
P3 C1K C2K C3K 179.5(6) . . . . ?
C1K C2K C3K C4K -1.1(11) . . . . ?
C2K C3K C4K C5K 0.8(12) . . . . ?
C3K C4K C5K C6K 0.1(14) . . . . ?
C2K C1K C6K C5K 0.3(11) . . . . ?
P3 C1K C6K C5K -178.6(6) . . . . ?
C4K C5K C6K C1K -0.7(13) . . . . ?
O4P P4 C1M C6M 20.0(7) . . . . ?
N4P P4 C1M C6M 149.8(6) . . . . ?
C1Q P4 C1M C6M -98.3(6) . . . . ?
O4P P4 C1M C2M -164.8(7) . . . . ?
N4P P4 C1M C2M -35.0(8) . . . . ?
C1Q P4 C1M C2M 76.9(7) . . . . ?
C6M C1M C2M C3M 1.5(13) . . . . ?
P4 C1M C2M C3M -173.7(7) . . . . ?
C1M C2M C3M C4M -1.4(14) . . . . ?
C2M C3M C4M C5M 0.3(13) . . . . ?
C3M C4M C5M C6M 0.7(13) . . . . ?
C4M C5M C6M C1M -0.5(12) . . . . ?
C2M C1M C6M C5M -0.5(12) . . . . ?
P4 C1M C6M C5M 174.8(6) . . . . ?
O4P P4 C1Q C2Q -0.5(7) . . . . ?
N4P P4 C1Q C2Q -130.8(6) . . . . ?
C1M P4 C1Q C2Q 117.0(6) . . . . ?
O4P P4 C1Q C6Q -179.5(6) . . . . ?
N4P P4 C1Q C6Q 50.3(7) . . . . ?
C1M P4 C1Q C6Q -61.9(7) . . . . ?
C6Q C1Q C2Q C3Q -1.1(12) . . . . ?
P4 C1Q C2Q C3Q 179.9(6) . . . . ?
C1Q C2Q C3Q C4Q 1.9(13) . . . . ?
C2Q C3Q C4Q C5Q -2.0(14) . . . . ?
C3Q C4Q C5Q C6Q 1.3(14) . . . . ?
C4Q C5Q C6Q C1Q -0.5(13) . . . . ?
C2Q C1Q C6Q C5Q 0.4(12) . . . . ?
P4 C1Q C6Q C5Q 179.4(7) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C1D H1D O1T 0.95 2.47 3.396(9) 164.1 2_667
C14 H14 F3T 0.95 2.43 3.311(9) 153.3 .
C44 H44 O1T 0.95 2.48 3.385(10) 158.5 2_667

_refine_diff_density_max         2.456
_refine_diff_density_min         -2.530
_refine_diff_density_rms         0.171

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Na2TbL4
_database_code_depnum_ccdc_archive 'CCDC 1957274'
loop_
_audit_author_name
_audit_author_address
'yen hoang pham'
;University of Wroclaw
Poland
;
_audit_update_record             
;
2019-10-02 deposited with the CCDC.	2020-06-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'2(Na 1+), Tb 3+, 4(C17 H13 N3 O2 P 1-), C F3 S O3 1-, C3 H7 N O'
_chemical_formula_sum            'C72 H59 F3 N13 Na2 O12 P4 S Tb'
_chemical_formula_weight         1716.16

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'
F F 0.0171 0.0103 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Tb Tb -0.1723 4.1537 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.321(5)
_cell_length_b                   15.972(5)
_cell_length_c                   16.214(4)
_cell_angle_alpha                92.16(2)
_cell_angle_beta                 97.49(2)
_cell_angle_gamma                109.02(3)
_cell_volume                     3705(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    80(2)
_cell_measurement_reflns_used    10833
_cell_measurement_theta_min      2.7202
_cell_measurement_theta_max      28.7790

_exptl_crystal_description       tabular
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.538
_exptl_crystal_F_000             1736
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.230
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.090
_exptl_absorpt_coefficient_mu    1.159
_shelx_estimated_absorpt_T_min   0.776
_shelx_estimated_absorpt_T_max   0.903
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.825
_exptl_absorpt_correction_T_max  0.916
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      80(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_measurement_device_type  'Xcalibur, Ruby'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3456
_diffrn_reflns_number            24764
_diffrn_reflns_av_unetI/netI     0.0704
_diffrn_reflns_av_R_equivalents  0.0305
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.720
_diffrn_reflns_theta_max         28.778
_diffrn_reflns_theta_full        25.500
_diffrn_measured_fraction_theta_max 0.823
_diffrn_measured_fraction_theta_full 0.966
_diffrn_reflns_Laue_measured_fraction_max 0.823
_diffrn_reflns_Laue_measured_fraction_full 0.966
_diffrn_reflns_point_group_measured_fraction_max 0.823
_diffrn_reflns_point_group_measured_fraction_full 0.966
_reflns_number_total             15890
_reflns_number_gt                12970
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_structure_solution    'SHELXS-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Diamond 3.0d (Crystal Impact, 2005)'
_computing_publication_material  'WinGX 2014 (Farrugia, 2014)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0395P)²+1.6256P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     patterson
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         15890
_refine_ls_number_parameters     975
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0579
_refine_ls_R_factor_gt           0.0412
_refine_ls_wR_factor_ref         0.0938
_refine_ls_wR_factor_gt          0.0878
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_restrained_S_all      1.023
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Tb1 Tb 0.78537(2) 0.74472(2) 0.72809(2) 0.00899(5) Uani 1 1 d . . . . .
Na1 Na 0.66446(9) 0.51134(9) 0.73202(8) 0.0133(3) Uani 1 1 d . . . . .
Na2 Na 0.59767(9) 0.66905(9) 0.84360(8) 0.0129(3) Uani 1 1 d . . . . .
P1 P 0.59913(6) 0.80593(6) 0.62525(5) 0.01167(19) Uani 1 1 d . . . . .
P2 P 0.94670(6) 0.66284(6) 0.84543(5) 0.01030(18) Uani 1 1 d . . . . .
P3 P 0.90614(6) 0.73657(6) 0.56283(5) 0.01156(19) Uani 1 1 d . . . . .
P4 P 0.87297(6) 0.96806(6) 0.80143(5) 0.01163(19) Uani 1 1 d . . . . .
S1T S 0.61332(7) 0.38491(7) 0.87029(5) 0.0194(2) Uani 1 1 d . . . . .
F1T F 0.54849(18) 0.26994(17) 0.73838(13) 0.0369(7) Uani 1 1 d . . . . .
F2T F 0.46490(19) 0.24142(19) 0.83942(16) 0.0470(8) Uani 1 1 d . . . . .
F3T F 0.5952(2) 0.21722(18) 0.84869(16) 0.0491(8) Uani 1 1 d . . . . .
O1T O 0.70215(19) 0.4111(2) 0.84206(17) 0.0289(7) Uani 1 1 d . . . . .
O2T O 0.6127(2) 0.3749(2) 0.95837(15) 0.0319(7) Uani 1 1 d . . . . .
O3T O 0.5546(2) 0.4336(2) 0.83439(17) 0.0331(7) Uani 1 1 d . . . . .
C1T C 0.5538(3) 0.2734(3) 0.8224(2) 0.0333(11) Uani 1 1 d . . . . .
O1D O 0.44173(17) 0.61144(17) 0.79586(15) 0.0189(6) Uani 1 1 d . . . . .
N1D N 0.2906(2) 0.6019(2) 0.79636(17) 0.0164(7) Uani 1 1 d . . . . .
C1D C 0.3770(3) 0.6146(2) 0.8322(2) 0.0180(8) Uani 1 1 d . . . . .
H1D H 0.3904 0.6272 0.8912 0.022 Uiso 1 1 calc R U . . .
C2D C 0.2621(3) 0.5756(3) 0.7080(2) 0.0273(10) Uani 1 1 d . . . . .
H2D1 H 0.3171 0.5790 0.6817 0.041 Uiso 1 1 calc R U . . .
H2D2 H 0.2316 0.6156 0.6825 0.041 Uiso 1 1 calc R U . . .
H2D3 H 0.2183 0.5145 0.6999 0.041 Uiso 1 1 calc R U . . .
C3D C 0.2182(3) 0.6031(3) 0.8457(2) 0.0259(9) Uani 1 1 d . . . . .
H3D1 H 0.2447 0.6145 0.9050 0.039 Uiso 1 1 calc R U . . .
H3D2 H 0.1679 0.5455 0.8363 0.039 Uiso 1 1 calc R U . . .
H3D3 H 0.1931 0.6501 0.8290 0.039 Uiso 1 1 calc R U . . .
O1C O 0.62189(15) 0.64519(15) 0.70033(13) 0.0107(5) Uani 1 1 d . . . . .
O2C O 0.74467(16) 0.63685(15) 0.83479(13) 0.0104(5) Uani 1 1 d . . . . .
O3C O 0.77647(16) 0.60732(16) 0.65962(13) 0.0121(5) Uani 1 1 d . . . . .
O4C O 0.72150(16) 0.80102(15) 0.83620(13) 0.0120(5) Uani 1 1 d . . . . .
O1P O 0.69999(16) 0.82545(16) 0.66033(14) 0.0132(5) Uani 1 1 d . . . . .
O2P O 0.92489(16) 0.72185(16) 0.78145(14) 0.0129(5) Uani 1 1 d . . . . .
O3P O 0.84809(17) 0.78020(16) 0.60522(14) 0.0135(5) Uani 1 1 d . . . . .
O4P O 0.88816(16) 0.88711(16) 0.76417(13) 0.0121(5) Uani 1 1 d . . . . .
N1P N 0.5335(2) 0.70154(19) 0.60413(17) 0.0129(6) Uani 1 1 d . . . . .
N2P N 0.8796(2) 0.63486(19) 0.91726(16) 0.0118(6) Uani 1 1 d . . . . .
N3P N 0.8809(2) 0.62955(19) 0.56410(16) 0.0119(6) Uani 1 1 d . . . . .
N4P N 0.7888(2) 0.95567(19) 0.85618(16) 0.0123(6) Uani 1 1 d . . . . .
N11 N 0.5137(2) 0.4768(2) 0.63955(17) 0.0158(7) Uani 1 1 d . . . . .
N12 N 0.3481(2) 0.4508(2) 0.53019(18) 0.0184(7) Uani 1 1 d . . . . .
N21 N 0.6537(2) 0.61498(19) 0.96959(17) 0.0129(6) Uani 1 1 d . . . . .
N22 N 0.7421(2) 0.5829(2) 1.12190(18) 0.0203(7) Uani 1 1 d . . . . .
N31 N 0.7252(2) 0.4303(2) 0.62891(17) 0.0161(7) Uani 1 1 d . . . . .
N32 N 0.7874(2) 0.3601(2) 0.49570(18) 0.0206(7) Uani 1 1 d . . . . .
N41 N 0.5863(2) 0.80779(19) 0.92632(16) 0.0119(6) Uani 1 1 d . . . . .
N42 N 0.6032(2) 0.9709(2) 1.01116(18) 0.0174(7) Uani 1 1 d . . . . .
C1N C 0.5545(2) 0.6382(2) 0.64217(19) 0.0111(7) Uani 1 1 d . . . . .
C2N C 0.7911(2) 0.6284(2) 0.90323(19) 0.0094(7) Uani 1 1 d . . . . .
C3N C 0.8167(2) 0.5816(2) 0.60565(19) 0.0111(7) Uani 1 1 d . . . . .
C4N C 0.7281(2) 0.8783(2) 0.86565(19) 0.0098(7) Uani 1 1 d . . . . .
C11 C 0.4895(2) 0.5451(2) 0.61201(19) 0.0112(7) Uani 1 1 d . . . . .
C12 C 0.4079(3) 0.5309(2) 0.5570(2) 0.0159(8) Uani 1 1 d . . . . .
H12 H 0.3940 0.5812 0.5374 0.019 Uiso 1 1 calc R U . . .
C13 C 0.3719(3) 0.3831(3) 0.5585(2) 0.0205(8) Uani 1 1 d . . . . .
H13 H 0.3312 0.3242 0.5415 0.025 Uiso 1 1 calc R U . . .
C14 C 0.4540(3) 0.3957(3) 0.6118(2) 0.0200(8) Uani 1 1 d . . . . .
H14 H 0.4686 0.3451 0.6294 0.024 Uiso 1 1 calc R U . . .
C21 C 0.7408(2) 0.6116(2) 0.97792(19) 0.0106(7) Uani 1 1 d . . . . .
C22 C 0.7843(3) 0.5960(2) 1.0541(2) 0.0161(8) Uani 1 1 d . . . . .
H22 H 0.8462 0.5947 1.0578 0.019 Uiso 1 1 calc R U . . .
C23 C 0.6554(3) 0.5855(3) 1.1125(2) 0.0195(8) Uani 1 1 d . . . . .
H23 H 0.6223 0.5758 1.1588 0.023 Uiso 1 1 calc R U . . .
C24 C 0.6117(3) 0.6019(2) 1.0376(2) 0.0172(8) Uani 1 1 d . . . . .
H24 H 0.5500 0.6038 1.0344 0.021 Uiso 1 1 calc R U . . .
C31 C 0.7869(2) 0.4829(2) 0.58522(19) 0.0110(7) Uani 1 1 d . . . . .
C32 C 0.8182(3) 0.4468(2) 0.5197(2) 0.0160(8) Uani 1 1 d . . . . .
H32 H 0.8632 0.4857 0.4911 0.019 Uiso 1 1 calc R U . . .
C33 C 0.7256(3) 0.3096(3) 0.5392(2) 0.0235(9) Uani 1 1 d . . . . .
H33 H 0.7011 0.2474 0.5239 0.028 Uiso 1 1 calc R U . . .
C34 C 0.6952(3) 0.3431(3) 0.6056(2) 0.0226(9) Uani 1 1 d . . . . .
H34 H 0.6522 0.3034 0.6353 0.027 Uiso 1 1 calc R U . . .
C41 C 0.6568(2) 0.8822(2) 0.92043(19) 0.0102(7) Uani 1 1 d . . . . .
C42 C 0.6651(2) 0.9625(2) 0.9632(2) 0.0140(7) Uani 1 1 d . . . . .
H42 H 0.7170 1.0135 0.9581 0.017 Uiso 1 1 calc R U . . .
C43 C 0.5323(3) 0.8962(2) 1.0152(2) 0.0163(8) Uani 1 1 d . . . . .
H43 H 0.4854 0.8983 1.0474 0.020 Uiso 1 1 calc R U . . .
C44 C 0.5243(3) 0.8156(2) 0.9743(2) 0.0154(8) Uani 1 1 d . . . . .
H44 H 0.4733 0.7644 0.9807 0.019 Uiso 1 1 calc R U . . .
C1B C 0.5422(2) 0.8557(2) 0.6932(2) 0.0140(7) Uani 1 1 d . . . . .
C2B C 0.5863(3) 0.9449(3) 0.7238(2) 0.0180(8) Uani 1 1 d . . . . .
H2B H 0.6432 0.9786 0.7062 0.022 Uiso 1 1 calc R U . . .
C3B C 0.5468(3) 0.9840(3) 0.7797(2) 0.0226(9) Uani 1 1 d . . . . .
H3B H 0.5768 1.0444 0.8006 0.027 Uiso 1 1 calc R U . . .
C4B C 0.4632(3) 0.9348(3) 0.8053(2) 0.0231(9) Uani 1 1 d . . . . .
H4B H 0.4366 0.9615 0.8440 0.028 Uiso 1 1 calc R U . . .
C5B C 0.4186(3) 0.8466(3) 0.7746(2) 0.0216(9) Uani 1 1 d . . . . .
H5B H 0.3613 0.8132 0.7917 0.026 Uiso 1 1 calc R U . . .
C6B C 0.4583(3) 0.8075(3) 0.7185(2) 0.0171(8) Uani 1 1 d . . . . .
H6B H 0.4277 0.7472 0.6973 0.021 Uiso 1 1 calc R U . . .
C1E C 0.5934(3) 0.8536(3) 0.5271(2) 0.0215(9) Uani 1 1 d . . . . .
C2E C 0.5185(3) 0.8765(3) 0.4930(2) 0.0296(10) Uani 1 1 d . . . . .
H2E H 0.4681 0.8695 0.5237 0.035 Uiso 1 1 calc R U . . .
C3E C 0.5138(3) 0.9094(3) 0.4157(2) 0.0298(10) Uani 1 1 d . . . . .
H3E H 0.4633 0.9287 0.3949 0.036 Uiso 1 1 calc R U . . .
C4E C 0.5852(4) 0.9136(3) 0.3683(3) 0.0411(13) Uani 1 1 d . . . . .
H4E H 0.5824 0.9352 0.3146 0.049 Uiso 1 1 calc R U . . .
C5E C 0.6603(3) 0.8866(3) 0.3990(3) 0.0369(12) Uani 1 1 d . . . . .
H5E H 0.7076 0.8881 0.3660 0.044 Uiso 1 1 calc R U . . .
C6E C 0.6648(3) 0.8573(3) 0.4793(2) 0.0282(10) Uani 1 1 d . . . . .
H6E H 0.7161 0.8398 0.5016 0.034 Uiso 1 1 calc R U . . .
C1F C 1.0611(2) 0.7189(2) 0.9033(2) 0.0124(7) Uani 1 1 d . . . . .
C2F C 1.1207(2) 0.7923(2) 0.8714(2) 0.0155(8) Uani 1 1 d . . . . .
H2F H 1.0994 0.8139 0.8216 0.019 Uiso 1 1 calc R U . . .
C3F C 1.2111(3) 0.8339(2) 0.9126(2) 0.0201(8) Uani 1 1 d . . . . .
H3F H 1.2518 0.8837 0.8909 0.024 Uiso 1 1 calc R U . . .
C4F C 1.2418(3) 0.8024(3) 0.9854(2) 0.0206(9) Uani 1 1 d . . . . .
H4F H 1.3036 0.8310 1.0133 0.025 Uiso 1 1 calc R U . . .
C5F C 1.1832(3) 0.7298(3) 1.0178(2) 0.0209(9) Uani 1 1 d . . . . .
H5F H 1.2047 0.7085 1.0677 0.025 Uiso 1 1 calc R U . . .
C6F C 1.0926(2) 0.6881(2) 0.9766(2) 0.0157(8) Uani 1 1 d . . . . .
H6F H 1.0521 0.6384 0.9986 0.019 Uiso 1 1 calc R U . . .
C1G C 0.9533(2) 0.5622(2) 0.7971(2) 0.0122(7) Uani 1 1 d . . . . .
C2G C 0.9947(2) 0.5666(2) 0.7248(2) 0.0149(8) Uani 1 1 d . . . . .
H2G H 1.0176 0.6219 0.7016 0.018 Uiso 1 1 calc R U . . .
C3G C 1.0026(3) 0.4908(3) 0.6867(2) 0.0196(8) Uani 1 1 d . . . . .
H3G H 1.0306 0.4943 0.6374 0.023 Uiso 1 1 calc R U . . .
C4G C 0.9698(3) 0.4098(3) 0.7205(2) 0.0228(9) Uani 1 1 d . . . . .
H4G H 0.9753 0.3578 0.6945 0.027 Uiso 1 1 calc R U . . .
C5G C 0.9288(3) 0.4053(3) 0.7926(3) 0.0269(10) Uani 1 1 d . . . . .
H5G H 0.9066 0.3499 0.8159 0.032 Uiso 1 1 calc R U . . .
C6G C 0.9201(3) 0.4804(3) 0.8305(2) 0.0191(8) Uani 1 1 d . . . . .
H6G H 0.8915 0.4764 0.8794 0.023 Uiso 1 1 calc R U . . .
C1H C 0.8963(3) 0.7562(3) 0.4537(2) 0.0154(8) Uani 1 1 d . . . . .
C2H C 0.8674(3) 0.6872(3) 0.3915(2) 0.0210(9) Uani 1 1 d . . . . .
H2H H 0.8530 0.6276 0.4059 0.025 Uiso 1 1 calc R U . . .
C3H C 0.8592(3) 0.7045(3) 0.3077(2) 0.0296(10) Uani 1 1 d . . . . .
H3H H 0.8394 0.6568 0.2652 0.035 Uiso 1 1 calc R U . . .
C4H C 0.8800(3) 0.7905(3) 0.2866(2) 0.0313(11) Uani 1 1 d . . . . .
H4H H 0.8736 0.8022 0.2296 0.038 Uiso 1 1 calc R U . . .
C5H C 0.9099(4) 0.8597(3) 0.3480(2) 0.0362(11) Uani 1 1 d . . . . .
H5H H 0.9255 0.9191 0.3331 0.043 Uiso 1 1 calc R U . . .
C6H C 0.9176(3) 0.8433(3) 0.4313(2) 0.0289(10) Uani 1 1 d . . . . .
H6H H 0.9375 0.8915 0.4734 0.035 Uiso 1 1 calc R U . . .
C1K C 1.0278(2) 0.7905(2) 0.60561(19) 0.0126(7) Uani 1 1 d . . . . .
C2K C 1.0956(2) 0.7520(2) 0.5954(2) 0.0147(8) Uani 1 1 d . . . . .
H2K H 1.0783 0.6951 0.5660 0.018 Uiso 1 1 calc R U . . .
C3K C 1.1884(3) 0.7966(2) 0.6282(2) 0.0166(8) Uani 1 1 d . . . . .
H3K H 1.2344 0.7697 0.6219 0.020 Uiso 1 1 calc R U . . .
C4K C 1.2141(3) 0.8802(2) 0.6702(2) 0.0180(8) Uani 1 1 d . . . . .
H4K H 1.2779 0.9111 0.6916 0.022 Uiso 1 1 calc R U . . .
C5K C 1.1471(3) 0.9187(2) 0.6810(2) 0.0183(8) Uani 1 1 d . . . . .
H5K H 1.1649 0.9759 0.7101 0.022 Uiso 1 1 calc R U . . .
C6K C 1.0538(3) 0.8741(2) 0.6495(2) 0.0171(8) Uani 1 1 d . . . . .
H6K H 1.0078 0.9003 0.6578 0.021 Uiso 1 1 calc R U . . .
C1M C 0.9785(2) 1.0347(2) 0.8677(2) 0.0148(8) Uani 1 1 d . . . . .
C2M C 0.9807(3) 1.1038(3) 0.9240(2) 0.0237(9) Uani 1 1 d . . . . .
H2M H 0.9244 1.1137 0.9322 0.028 Uiso 1 1 calc R U . . .
C3M C 1.0655(3) 1.1583(3) 0.9681(3) 0.0285(10) Uani 1 1 d . . . . .
H3M H 1.0671 1.2056 1.0062 0.034 Uiso 1 1 calc R U . . .
C4M C 1.1474(3) 1.1441(3) 0.9567(2) 0.0227(9) Uani 1 1 d . . . . .
H4M H 1.2052 1.1820 0.9864 0.027 Uiso 1 1 calc R U . . .
C5M C 1.1453(3) 1.0750(3) 0.9023(2) 0.0220(9) Uani 1 1 d . . . . .
H5M H 1.2018 1.0649 0.8952 0.026 Uiso 1 1 calc R U . . .
C6M C 1.0616(3) 1.0201(2) 0.8579(2) 0.0171(8) Uani 1 1 d . . . . .
H6M H 1.0607 0.9723 0.8207 0.021 Uiso 1 1 calc R U . . .
C1Q C 0.8530(3) 1.0364(3) 0.7200(2) 0.0174(8) Uani 1 1 d . . . . .
C2Q C 0.8361(3) 1.1148(3) 0.7380(2) 0.0237(9) Uani 1 1 d . . . . .
H2Q H 0.8336 1.1326 0.7940 0.028 Uiso 1 1 calc R U . . .
C3Q C 0.8228(3) 1.1670(3) 0.6750(3) 0.0290(10) Uani 1 1 d . . . . .
H3Q H 0.8111 1.2206 0.6876 0.035 Uiso 1 1 calc R U . . .
C4Q C 0.8265(3) 1.1411(3) 0.5932(3) 0.0359(11) Uani 1 1 d . . . . .
H4Q H 0.8203 1.1784 0.5502 0.043 Uiso 1 1 calc R U . . .
C5Q C 0.8394(3) 1.0607(3) 0.5741(3) 0.0371(12) Uani 1 1 d . . . . .
H5Q H 0.8385 1.0416 0.5177 0.045 Uiso 1 1 calc R U . . .
C6Q C 0.8537(3) 1.0083(3) 0.6375(2) 0.0256(9) Uani 1 1 d . . . . .
H6Q H 0.8638 0.9540 0.6249 0.031 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Tb1 O4P 2.306(3) . ?
Tb1 O1P 2.326(3) . ?
Tb1 O3P 2.333(2) . ?
Tb1 O2P 2.346(2) . ?
Tb1 O3C 2.377(2) . ?
Tb1 O4C 2.396(2) . ?
Tb1 O1C 2.462(2) . ?
Tb1 O2C 2.481(2) . ?
Tb1 Na2 3.5423(17) . ?
Tb1 Na1 3.589(2) . ?
Na1 O3C 2.371(3) . ?
Na1 O2C 2.432(3) . ?
Na1 N11 2.468(3) . ?
Na1 O1C 2.483(3) . ?
Na1 N31 2.523(3) . ?
Na1 O1T 2.575(3) . ?
Na1 O3T 2.579(3) . ?
Na1 S1T 3.0799(18) . ?
Na1 Na2 3.533(2) . ?
Na2 O1D 2.277(3) . ?
Na2 O4C 2.351(3) . ?
Na2 N21 2.412(3) . ?
Na2 O1C 2.435(2) . ?
Na2 O2C 2.488(3) . ?
Na2 N41 2.613(3) . ?
P1 O1P 1.501(3) . ?
P1 N1P 1.638(3) . ?
P1 C1E 1.794(4) . ?
P1 C1B 1.801(4) . ?
P2 O2P 1.505(3) . ?
P2 N2P 1.632(3) . ?
P2 C1G 1.799(4) . ?
P2 C1F 1.800(4) . ?
P3 O3P 1.509(3) . ?
P3 N3P 1.627(3) . ?
P3 C1H 1.804(3) . ?
P3 C1K 1.809(4) . ?
P4 O4P 1.505(2) . ?
P4 N4P 1.624(3) . ?
P4 C1M 1.800(4) . ?
P4 C1Q 1.803(4) . ?
S1T O1T 1.429(3) . ?
S1T O2T 1.444(3) . ?
S1T O3T 1.452(3) . ?
S1T C1T 1.805(5) . ?
F1T C1T 1.352(4) . ?
F2T C1T 1.360(5) . ?
F3T C1T 1.311(5) . ?
O1D C1D 1.231(4) . ?
N1D C1D 1.323(5) . ?
N1D C2D 1.447(4) . ?
N1D C3D 1.454(5) . ?
C1D H1D 0.9500 . ?
C2D H2D1 0.9800 . ?
C2D H2D2 0.9800 . ?
C2D H2D3 0.9800 . ?
C3D H3D1 0.9800 . ?
C3D H3D2 0.9800 . ?
C3D H3D3 0.9800 . ?
O1C C1N 1.277(4) . ?
O2C C2N 1.275(4) . ?
O3C C3N 1.262(4) . ?
O4C C4N 1.274(4) . ?
N1P C1N 1.310(4) . ?
N2P C2N 1.315(4) . ?
N3P C3N 1.316(4) . ?
N4P C4N 1.311(4) . ?
N11 C11 1.337(5) . ?
N11 C14 1.339(5) . ?
N12 C12 1.325(5) . ?
N12 C13 1.328(5) . ?
N21 C24 1.337(4) . ?
N21 C21 1.342(5) . ?
N22 C23 1.331(5) . ?
N22 C22 1.336(4) . ?
N31 C34 1.338(5) . ?
N31 C31 1.343(4) . ?
N32 C33 1.327(5) . ?
N32 C32 1.334(5) . ?
N41 C41 1.336(4) . ?
N41 C44 1.337(4) . ?
N42 C43 1.338(5) . ?
N42 C42 1.339(4) . ?
C1N C11 1.515(5) . ?
C2N C21 1.505(4) . ?
C3N C31 1.502(5) . ?
C4N C41 1.510(4) . ?
C11 C12 1.386(5) . ?
C12 H12 0.9500 . ?
C13 C14 1.382(5) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C21 C22 1.395(5) . ?
C22 H22 0.9500 . ?
C23 C24 1.385(5) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C31 C32 1.399(5) . ?
C32 H32 0.9500 . ?
C33 C34 1.383(5) . ?
C33 H33 0.9500 . ?
C34 H34 0.9500 . ?
C41 C42 1.395(5) . ?
C42 H42 0.9500 . ?
C43 C44 1.386(5) . ?
C43 H43 0.9500 . ?
C44 H44 0.9500 . ?
C1B C6B 1.389(5) . ?
C1B C2B 1.401(5) . ?
C2B C3B 1.388(5) . ?
C2B H2B 0.9500 . ?
C3B C4B 1.392(6) . ?
C3B H3B 0.9500 . ?
C4B C5B 1.389(6) . ?
C4B H4B 0.9500 . ?
C5B C6B 1.392(5) . ?
C5B H5B 0.9500 . ?
C6B H6B 0.9500 . ?
C1E C2E 1.371(6) . ?
C1E C6E 1.408(6) . ?
C2E C3E 1.380(5) . ?
C2E H2E 0.9500 . ?
C3E C4E 1.402(7) . ?
C3E H3E 0.9500 . ?
C4E C5E 1.395(7) . ?
C4E H4E 0.9500 . ?
C5E C6E 1.401(5) . ?
C5E H5E 0.9500 . ?
C6E H6E 0.9500 . ?
C1F C6F 1.391(5) . ?
C1F C2F 1.395(5) . ?
C2F C3F 1.390(5) . ?
C2F H2F 0.9500 . ?
C3F C4F 1.386(5) . ?
C3F H3F 0.9500 . ?
C4F C5F 1.385(5) . ?
C4F H4F 0.9500 . ?
C5F C6F 1.392(5) . ?
C5F H5F 0.9500 . ?
C6F H6F 0.9500 . ?
C1G C2G 1.396(4) . ?
C1G C6G 1.398(5) . ?
C2G C3G 1.386(5) . ?
C2G H2G 0.9500 . ?
C3G C4G 1.389(5) . ?
C3G H3G 0.9500 . ?
C4G C5G 1.391(5) . ?
C4G H4G 0.9500 . ?
C5G C6G 1.381(5) . ?
C5G H5G 0.9500 . ?
C6G H6G 0.9500 . ?
C1H C2H 1.383(5) . ?
C1H C6H 1.395(5) . ?
C2H C3H 1.394(5) . ?
C2H H2H 0.9500 . ?
C3H C4H 1.372(6) . ?
C3H H3H 0.9500 . ?
C4H C5H 1.374(6) . ?
C4H H4H 0.9500 . ?
C5H C6H 1.383(5) . ?
C5H H5H 0.9500 . ?
C6H H6H 0.9500 . ?
C1K C2K 1.392(5) . ?
C1K C6K 1.400(5) . ?
C2K C3K 1.388(5) . ?
C2K H2K 0.9500 . ?
C3K C4K 1.386(5) . ?
C3K H3K 0.9500 . ?
C4K C5K 1.385(5) . ?
C4K H4K 0.9500 . ?
C5K C6K 1.388(5) . ?
C5K H5K 0.9500 . ?
C6K H6K 0.9500 . ?
C1M C2M 1.395(5) . ?
C1M C6M 1.396(5) . ?
C2M C3M 1.389(5) . ?
C2M H2M 0.9500 . ?
C3M C4M 1.380(6) . ?
C3M H3M 0.9500 . ?
C4M C5M 1.376(5) . ?
C4M H4M 0.9500 . ?
C5M C6M 1.382(5) . ?
C5M H5M 0.9500 . ?
C6M H6M 0.9500 . ?
C1Q C2Q 1.386(5) . ?
C1Q C6Q 1.398(5) . ?
C2Q C3Q 1.378(5) . ?
C2Q H2Q 0.9500 . ?
C3Q C4Q 1.389(6) . ?
C3Q H3Q 0.9500 . ?
C4Q C5Q 1.392(7) . ?
C4Q H4Q 0.9500 . ?
C5Q C6Q 1.389(6) . ?
C5Q H5Q 0.9500 . ?
C6Q H6Q 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O4P Tb1 O1P 80.04(9) . . ?
O4P Tb1 O3P 77.90(8) . . ?
O1P Tb1 O3P 74.85(8) . . ?
O4P Tb1 O2P 76.77(9) . . ?
O1P Tb1 O2P 153.31(8) . . ?
O3P Tb1 O2P 87.45(8) . . ?
O4P Tb1 O3C 140.76(8) . . ?
O1P Tb1 O3C 117.53(8) . . ?
O3P Tb1 O3C 74.18(8) . . ?
O2P Tb1 O3C 74.99(9) . . ?
O4P Tb1 O4C 75.99(8) . . ?
O1P Tb1 O4C 75.25(8) . . ?
O3P Tb1 O4C 143.06(8) . . ?
O2P Tb1 O4C 111.17(8) . . ?
O3C Tb1 O4C 140.18(8) . . ?
O4P Tb1 O1C 147.60(8) . . ?
O1P Tb1 O1C 73.60(8) . . ?
O3P Tb1 O1C 112.03(8) . . ?
O2P Tb1 O1C 132.48(8) . . ?
O3C Tb1 O1C 70.08(8) . . ?
O4C Tb1 O1C 79.30(8) . . ?
O4P Tb1 O2C 121.14(8) . . ?
O1P Tb1 O2C 130.24(8) . . ?
O3P Tb1 O2C 148.07(8) . . ?
O2P Tb1 O2C 74.17(8) . . ?
O3C Tb1 O2C 75.92(8) . . ?
O4C Tb1 O2C 68.85(8) . . ?
O1C Tb1 O2C 66.91(8) . . ?
O4P Tb1 Na2 117.16(6) . . ?
O1P Tb1 Na2 85.79(7) . . ?
O3P Tb1 Na2 153.29(6) . . ?
O2P Tb1 Na2 116.58(6) . . ?
O3C Tb1 Na2 99.74(7) . . ?
O4C Tb1 Na2 41.26(6) . . ?
O1C Tb1 Na2 43.37(6) . . ?
O2C Tb1 Na2 44.61(6) . . ?
O4P Tb1 Na1 161.88(6) . . ?
O1P Tb1 Na1 116.12(7) . . ?
O3P Tb1 Na1 113.07(7) . . ?
O2P Tb1 Na1 89.00(7) . . ?
O3C Tb1 Na1 40.83(6) . . ?
O4C Tb1 Na1 99.35(6) . . ?
O1C Tb1 Na1 43.70(6) . . ?
O2C Tb1 Na1 42.54(6) . . ?
Na2 Tb1 Na1 59.40(4) . . ?
O3C Na1 O2C 76.98(9) . . ?
O3C Na1 N11 105.29(10) . . ?
O2C Na1 N11 129.58(11) . . ?
O3C Na1 O1C 69.82(9) . . ?
O2C Na1 O1C 67.34(8) . . ?
N11 Na1 O1C 66.77(10) . . ?
O3C Na1 N31 66.45(10) . . ?
O2C Na1 N31 131.36(11) . . ?
N11 Na1 N31 91.50(11) . . ?
O1C Na1 N31 122.98(10) . . ?
O3C Na1 O1T 124.25(10) . . ?
O2C Na1 O1T 87.34(9) . . ?
N11 Na1 O1T 124.83(11) . . ?
O1C Na1 O1T 148.39(10) . . ?
N31 Na1 O1T 87.76(10) . . ?
O3C Na1 O3T 168.21(11) . . ?
O2C Na1 O3T 91.30(10) . . ?
N11 Na1 O3T 81.13(10) . . ?
O1C Na1 O3T 104.74(10) . . ?
N31 Na1 O3T 123.95(11) . . ?
O1T Na1 O3T 55.28(9) . . ?
O3C Na1 S1T 151.09(8) . . ?
O2C Na1 S1T 91.43(7) . . ?
N11 Na1 S1T 102.49(9) . . ?
O1C Na1 S1T 130.08(7) . . ?
N31 Na1 S1T 105.23(9) . . ?
O1T Na1 S1T 27.46(6) . . ?
O3T Na1 S1T 27.98(7) . . ?
O3C Na1 Na2 100.11(8) . . ?
O2C Na1 Na2 44.74(7) . . ?
N11 Na1 Na2 86.74(9) . . ?
O1C Na1 Na2 43.54(6) . . ?
N31 Na1 Na2 165.47(9) . . ?
O1T Na1 Na2 105.06(8) . . ?
O3T Na1 Na2 70.03(8) . . ?
S1T Na1 Na2 89.22(5) . . ?
O3C Na1 Tb1 40.96(6) . . ?
O2C Na1 Tb1 43.62(6) . . ?
N11 Na1 Tb1 106.73(9) . . ?
O1C Na1 Tb1 43.24(6) . . ?
N31 Na1 Tb1 107.36(8) . . ?
O1T Na1 Tb1 125.98(8) . . ?
O3T Na1 Tb1 128.07(9) . . ?
S1T Na1 Tb1 135.03(5) . . ?
Na2 Na1 Tb1 59.65(4) . . ?
O1D Na2 O4C 137.67(11) . . ?
O1D Na2 N21 116.90(11) . . ?
O4C Na2 N21 101.70(10) . . ?
O1D Na2 O1C 86.91(9) . . ?
O4C Na2 O1C 80.72(9) . . ?
N21 Na2 O1C 129.96(11) . . ?
O1D Na2 O2C 140.30(10) . . ?
O4C Na2 O2C 69.42(9) . . ?
N21 Na2 O2C 67.30(9) . . ?
O1C Na2 O2C 67.20(8) . . ?
O1D Na2 N41 94.61(11) . . ?
O4C Na2 N41 66.00(9) . . ?
N21 Na2 N41 92.02(10) . . ?
O1C Na2 N41 131.53(10) . . ?
O2C Na2 N41 125.08(10) . . ?
O1D Na2 Na1 96.98(9) . . ?
O4C Na2 Na1 101.81(8) . . ?
N21 Na2 Na1 87.20(8) . . ?
O1C Na2 Na1 44.61(7) . . ?
O2C Na2 Na1 43.47(6) . . ?
N41 Na2 Na1 167.38(8) . . ?
O1D Na2 Tb1 128.78(8) . . ?
O4C Na2 Tb1 42.22(6) . . ?
N21 Na2 Tb1 108.00(8) . . ?
O1C Na2 Tb1 43.96(6) . . ?
O2C Na2 Tb1 44.45(6) . . ?
N41 Na2 Tb1 107.55(8) . . ?
Na1 Na2 Tb1 60.95(4) . . ?
O1P P1 N1P 117.73(15) . . ?
O1P P1 C1E 108.36(16) . . ?
N1P P1 C1E 104.55(16) . . ?
O1P P1 C1B 111.07(15) . . ?
N1P P1 C1B 106.84(16) . . ?
C1E P1 C1B 107.73(19) . . ?
O2P P2 N2P 118.35(15) . . ?
O2P P2 C1G 111.58(15) . . ?
N2P P2 C1G 107.54(16) . . ?
O2P P2 C1F 108.89(16) . . ?
N2P P2 C1F 104.14(15) . . ?
C1G P2 C1F 105.37(17) . . ?
O3P P3 N3P 118.23(15) . . ?
O3P P3 C1H 109.08(16) . . ?
N3P P3 C1H 105.07(16) . . ?
O3P P3 C1K 108.86(15) . . ?
N3P P3 C1K 108.99(17) . . ?
C1H P3 C1K 105.91(16) . . ?
O4P P4 N4P 119.38(15) . . ?
O4P P4 C1M 108.91(16) . . ?
N4P P4 C1M 106.35(15) . . ?
O4P P4 C1Q 109.86(15) . . ?
N4P P4 C1Q 105.59(17) . . ?
C1M P4 C1Q 105.93(17) . . ?
O1T S1T O2T 117.11(18) . . ?
O1T S1T O3T 112.19(18) . . ?
O2T S1T O3T 114.52(18) . . ?
O1T S1T C1T 104.6(2) . . ?
O2T S1T C1T 103.51(18) . . ?
O3T S1T C1T 102.8(2) . . ?
O1T S1T Na1 56.21(13) . . ?
O2T S1T Na1 147.62(13) . . ?
O3T S1T Na1 56.44(12) . . ?
C1T S1T Na1 108.82(14) . . ?
S1T O1T Na1 96.32(16) . . ?
S1T O3T Na1 95.58(15) . . ?
F3T C1T F1T 107.2(4) . . ?
F3T C1T F2T 106.6(4) . . ?
F1T C1T F2T 107.1(3) . . ?
F3T C1T S1T 112.6(3) . . ?
F1T C1T S1T 111.8(3) . . ?
F2T C1T S1T 111.4(3) . . ?
C1D O1D Na2 127.7(2) . . ?
C1D N1D C2D 121.0(3) . . ?
C1D N1D C3D 121.2(3) . . ?
C2D N1D C3D 117.4(3) . . ?
O1D C1D N1D 125.6(3) . . ?
O1D C1D H1D 117.2 . . ?
N1D C1D H1D 117.2 . . ?
N1D C2D H2D1 109.5 . . ?
N1D C2D H2D2 109.5 . . ?
H2D1 C2D H2D2 109.5 . . ?
N1D C2D H2D3 109.5 . . ?
H2D1 C2D H2D3 109.5 . . ?
H2D2 C2D H2D3 109.5 . . ?
N1D C3D H3D1 109.5 . . ?
N1D C3D H3D2 109.5 . . ?
H3D1 C3D H3D2 109.5 . . ?
N1D C3D H3D3 109.5 . . ?
H3D1 C3D H3D3 109.5 . . ?
H3D2 C3D H3D3 109.5 . . ?
C1N O1C Na2 117.7(2) . . ?
C1N O1C Tb1 132.8(2) . . ?
Na2 O1C Tb1 92.67(8) . . ?
C1N O1C Na1 119.0(2) . . ?
Na2 O1C Na1 91.85(9) . . ?
Tb1 O1C Na1 93.07(9) . . ?
C2N O2C Na1 121.8(2) . . ?
C2N O2C Tb1 131.4(2) . . ?
Na1 O2C Tb1 93.84(8) . . ?
C2N O2C Na2 117.0(2) . . ?
Na1 O2C Na2 91.80(9) . . ?
Tb1 O2C Na2 90.93(9) . . ?
C3N O3C Na1 124.6(2) . . ?
C3N O3C Tb1 137.1(2) . . ?
Na1 O3C Tb1 98.21(9) . . ?
C4N O4C Na2 125.8(2) . . ?
C4N O4C Tb1 134.8(2) . . ?
Na2 O4C Tb1 96.52(9) . . ?
P1 O1P Tb1 134.73(14) . . ?
P2 O2P Tb1 132.19(13) . . ?
P3 O3P Tb1 127.90(14) . . ?
P4 O4P Tb1 130.40(14) . . ?
C1N N1P P1 121.3(2) . . ?
C2N N2P P2 121.4(2) . . ?
C3N N3P P3 122.2(3) . . ?
C4N N4P P4 123.6(2) . . ?
C11 N11 C14 115.9(3) . . ?
C11 N11 Na1 117.5(2) . . ?
C14 N11 Na1 126.5(3) . . ?
C12 N12 C13 115.6(3) . . ?
C24 N21 C21 116.4(3) . . ?
C24 N21 Na2 125.1(3) . . ?
C21 N21 Na2 117.5(2) . . ?
C23 N22 C22 115.8(3) . . ?
C34 N31 C31 116.5(3) . . ?
C34 N31 Na1 128.0(2) . . ?
C31 N31 Na1 115.0(2) . . ?
C33 N32 C32 115.4(3) . . ?
C41 N41 C44 116.0(3) . . ?
C41 N41 Na2 113.0(2) . . ?
C44 N41 Na2 131.0(2) . . ?
C43 N42 C42 114.8(3) . . ?
O1C C1N N1P 128.5(3) . . ?
O1C C1N C11 117.0(3) . . ?
N1P C1N C11 114.6(3) . . ?
O2C C2N N2P 127.5(3) . . ?
O2C C2N C21 117.2(3) . . ?
N2P C2N C21 115.3(3) . . ?
O3C C3N N3P 128.8(3) . . ?
O3C C3N C31 116.0(3) . . ?
N3P C3N C31 115.2(3) . . ?
O4C C4N N4P 129.4(3) . . ?
O4C C4N C41 116.0(3) . . ?
N4P C4N C41 114.6(3) . . ?
N11 C11 C12 120.8(3) . . ?
N11 C11 C1N 117.8(3) . . ?
C12 C11 C1N 121.3(3) . . ?
N12 C12 C11 123.3(4) . . ?
N12 C12 H12 118.3 . . ?
C11 C12 H12 118.3 . . ?
N12 C13 C14 122.0(3) . . ?
N12 C13 H13 119.0 . . ?
C14 C13 H13 119.0 . . ?
N11 C14 C13 122.2(4) . . ?
N11 C14 H14 118.9 . . ?
C13 C14 H14 118.9 . . ?
N21 C21 C22 121.0(3) . . ?
N21 C21 C2N 117.8(3) . . ?
C22 C21 C2N 121.2(3) . . ?
N22 C22 C21 122.5(3) . . ?
N22 C22 H22 118.7 . . ?
C21 C22 H22 118.7 . . ?
N22 C23 C24 122.4(3) . . ?
N22 C23 H23 118.8 . . ?
C24 C23 H23 118.8 . . ?
N21 C24 C23 121.9(4) . . ?
N21 C24 H24 119.1 . . ?
C23 C24 H24 119.1 . . ?
N31 C31 C32 120.8(3) . . ?
N31 C31 C3N 117.8(3) . . ?
C32 C31 C3N 121.2(3) . . ?
N32 C32 C31 122.7(3) . . ?
N32 C32 H32 118.7 . . ?
C31 C32 H32 118.7 . . ?
N32 C33 C34 123.2(4) . . ?
N32 C33 H33 118.4 . . ?
C34 C33 H33 118.4 . . ?
N31 C34 C33 121.4(4) . . ?
N31 C34 H34 119.3 . . ?
C33 C34 H34 119.3 . . ?
N41 C41 C42 121.5(3) . . ?
N41 C41 C4N 118.6(3) . . ?
C42 C41 C4N 119.9(3) . . ?
N42 C42 C41 122.9(3) . . ?
N42 C42 H42 118.6 . . ?
C41 C42 H42 118.6 . . ?
N42 C43 C44 122.8(3) . . ?
N42 C43 H43 118.6 . . ?
C44 C43 H43 118.6 . . ?
N41 C44 C43 122.0(3) . . ?
N41 C44 H44 119.0 . . ?
C43 C44 H44 119.0 . . ?
C6B C1B C2B 119.4(3) . . ?
C6B C1B P1 122.0(3) . . ?
C2B C1B P1 118.6(3) . . ?
C3B C2B C1B 120.1(4) . . ?
C3B C2B H2B 120.0 . . ?
C1B C2B H2B 120.0 . . ?
C2B C3B C4B 120.0(4) . . ?
C2B C3B H3B 120.0 . . ?
C4B C3B H3B 120.0 . . ?
C5B C4B C3B 120.2(4) . . ?
C5B C4B H4B 119.9 . . ?
C3B C4B H4B 119.9 . . ?
C4B C5B C6B 119.7(4) . . ?
C4B C5B H5B 120.2 . . ?
C6B C5B H5B 120.2 . . ?
C1B C6B C5B 120.6(4) . . ?
C1B C6B H6B 119.7 . . ?
C5B C6B H6B 119.7 . . ?
C2E C1E C6E 119.1(4) . . ?
C2E C1E P1 123.2(3) . . ?
C6E C1E P1 117.2(3) . . ?
C1E C2E C3E 122.2(4) . . ?
C1E C2E H2E 118.9 . . ?
C3E C2E H2E 118.9 . . ?
C2E C3E C4E 118.5(4) . . ?
C2E C3E H3E 120.7 . . ?
C4E C3E H3E 120.7 . . ?
C5E C4E C3E 121.0(4) . . ?
C5E C4E H4E 119.5 . . ?
C3E C4E H4E 119.5 . . ?
C4E C5E C6E 118.9(4) . . ?
C4E C5E H5E 120.5 . . ?
C6E C5E H5E 120.5 . . ?
C5E C6E C1E 120.1(4) . . ?
C5E C6E H6E 120.0 . . ?
C1E C6E H6E 120.0 . . ?
C6F C1F C2F 119.7(3) . . ?
C6F C1F P2 121.5(3) . . ?
C2F C1F P2 118.8(3) . . ?
C3F C2F C1F 119.9(3) . . ?
C3F C2F H2F 120.1 . . ?
C1F C2F H2F 120.1 . . ?
C4F C3F C2F 119.9(3) . . ?
C4F C3F H3F 120.0 . . ?
C2F C3F H3F 120.0 . . ?
C5F C4F C3F 120.7(4) . . ?
C5F C4F H4F 119.7 . . ?
C3F C4F H4F 119.7 . . ?
C4F C5F C6F 119.4(4) . . ?
C4F C5F H5F 120.3 . . ?
C6F C5F H5F 120.3 . . ?
C1F C6F C5F 120.4(3) . . ?
C1F C6F H6F 119.8 . . ?
C5F C6F H6F 119.8 . . ?
C2G C1G C6G 119.1(3) . . ?
C2G C1G P2 118.8(3) . . ?
C6G C1G P2 122.1(2) . . ?
C3G C2G C1G 120.5(3) . . ?
C3G C2G H2G 119.8 . . ?
C1G C2G H2G 119.8 . . ?
C2G C3G C4G 120.1(3) . . ?
C2G C3G H3G 120.0 . . ?
C4G C3G H3G 120.0 . . ?
C3G C4G C5G 119.6(4) . . ?
C3G C4G H4G 120.2 . . ?
C5G C4G H4G 120.2 . . ?
C6G C5G C4G 120.6(4) . . ?
C6G C5G H5G 119.7 . . ?
C4G C5G H5G 119.7 . . ?
C5G C6G C1G 120.2(3) . . ?
C5G C6G H6G 119.9 . . ?
C1G C6G H6G 119.9 . . ?
C2H C1H C6H 119.0(3) . . ?
C2H C1H P3 121.8(3) . . ?
C6H C1H P3 119.3(3) . . ?
C1H C2H C3H 120.3(4) . . ?
C1H C2H H2H 119.8 . . ?
C3H C2H H2H 119.8 . . ?
C4H C3H C2H 120.0(4) . . ?
C4H C3H H3H 120.0 . . ?
C2H C3H H3H 120.0 . . ?
C3H C4H C5H 120.1(4) . . ?
C3H C4H H4H 120.0 . . ?
C5H C4H H4H 120.0 . . ?
C4H C5H C6H 120.5(4) . . ?
C4H C5H H5H 119.8 . . ?
C6H C5H H5H 119.8 . . ?
C5H C6H C1H 120.1(4) . . ?
C5H C6H H6H 119.9 . . ?
C1H C6H H6H 119.9 . . ?
C2K C1K C6K 119.6(3) . . ?
C2K C1K P3 122.2(3) . . ?
C6K C1K P3 118.2(3) . . ?
C3K C2K C1K 120.2(3) . . ?
C3K C2K H2K 119.9 . . ?
C1K C2K H2K 119.9 . . ?
C4K C3K C2K 120.1(4) . . ?
C4K C3K H3K 120.0 . . ?
C2K C3K H3K 120.0 . . ?
C5K C4K C3K 120.1(3) . . ?
C5K C4K H4K 119.9 . . ?
C3K C4K H4K 119.9 . . ?
C4K C5K C6K 120.2(3) . . ?
C4K C5K H5K 119.9 . . ?
C6K C5K H5K 119.9 . . ?
C5K C6K C1K 119.8(4) . . ?
C5K C6K H6K 120.1 . . ?
C1K C6K H6K 120.1 . . ?
C2M C1M C6M 119.3(3) . . ?
C2M C1M P4 122.2(3) . . ?
C6M C1M P4 118.3(3) . . ?
C3M C2M C1M 119.8(4) . . ?
C3M C2M H2M 120.1 . . ?
C1M C2M H2M 120.1 . . ?
C4M C3M C2M 120.3(4) . . ?
C4M C3M H3M 119.8 . . ?
C2M C3M H3M 119.8 . . ?
C5M C4M C3M 120.1(4) . . ?
C5M C4M H4M 120.0 . . ?
C3M C4M H4M 120.0 . . ?
C4M C5M C6M 120.4(4) . . ?
C4M C5M H5M 119.8 . . ?
C6M C5M H5M 119.8 . . ?
C5M C6M C1M 120.1(3) . . ?
C5M C6M H6M 119.9 . . ?
C1M C6M H6M 119.9 . . ?
C2Q C1Q C6Q 120.2(4) . . ?
C2Q C1Q P4 121.3(3) . . ?
C6Q C1Q P4 118.6(3) . . ?
C3Q C2Q C1Q 120.4(4) . . ?
C3Q C2Q H2Q 119.8 . . ?
C1Q C2Q H2Q 119.8 . . ?
C2Q C3Q C4Q 119.8(4) . . ?
C2Q C3Q H3Q 120.1 . . ?
C4Q C3Q H3Q 120.1 . . ?
C3Q C4Q C5Q 120.2(4) . . ?
C3Q C4Q H4Q 119.9 . . ?
C5Q C4Q H4Q 119.9 . . ?
C6Q C5Q C4Q 120.0(4) . . ?
C6Q C5Q H5Q 120.0 . . ?
C4Q C5Q H5Q 120.0 . . ?
C5Q C6Q C1Q 119.3(4) . . ?
C5Q C6Q H6Q 120.4 . . ?
C1Q C6Q H6Q 120.4 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O2T S1T O1T Na1 -143.03(16) . . . . ?
O3T S1T O1T Na1 -7.61(19) . . . . ?
C1T S1T O1T Na1 103.11(18) . . . . ?
O1T S1T O3T Na1 7.59(19) . . . . ?
O2T S1T O3T Na1 144.22(14) . . . . ?
C1T S1T O3T Na1 -104.24(17) . . . . ?
O1T S1T C1T F3T 64.3(3) . . . . ?
O2T S1T C1T F3T -58.8(4) . . . . ?
O3T S1T C1T F3T -178.3(3) . . . . ?
Na1 S1T C1T F3T 123.1(3) . . . . ?
O1T S1T C1T F1T -56.3(4) . . . . ?
O2T S1T C1T F1T -179.5(3) . . . . ?
O3T S1T C1T F1T 61.0(4) . . . . ?
Na1 S1T C1T F1T 2.4(4) . . . . ?
O1T S1T C1T F2T -176.0(3) . . . . ?
O2T S1T C1T F2T 60.8(3) . . . . ?
O3T S1T C1T F2T -58.7(3) . . . . ?
Na1 S1T C1T F2T -117.2(3) . . . . ?
Na2 O1D C1D N1D 161.1(3) . . . . ?
C2D N1D C1D O1D 4.9(6) . . . . ?
C3D N1D C1D O1D 177.1(4) . . . . ?
N1P P1 O1P Tb1 -20.2(2) . . . . ?
C1E P1 O1P Tb1 -138.5(2) . . . . ?
C1B P1 O1P Tb1 103.4(2) . . . . ?
N2P P2 O2P Tb1 -26.4(2) . . . . ?
C1G P2 O2P Tb1 99.1(2) . . . . ?
C1F P2 O2P Tb1 -144.99(17) . . . . ?
N3P P3 O3P Tb1 36.9(2) . . . . ?
C1H P3 O3P Tb1 156.81(17) . . . . ?
C1K P3 O3P Tb1 -88.06(19) . . . . ?
N4P P4 O4P Tb1 25.1(2) . . . . ?
C1M P4 O4P Tb1 147.38(17) . . . . ?
C1Q P4 O4P Tb1 -97.02(19) . . . . ?
O1P P1 N1P C1N 24.5(3) . . . . ?
C1E P1 N1P C1N 144.8(3) . . . . ?
C1B P1 N1P C1N -101.2(3) . . . . ?
O2P P2 N2P C2N 29.1(3) . . . . ?
C1G P2 N2P C2N -98.4(3) . . . . ?
C1F P2 N2P C2N 150.2(3) . . . . ?
O3P P3 N3P C3N -5.0(3) . . . . ?
C1H P3 N3P C3N -126.9(3) . . . . ?
C1K P3 N3P C3N 120.0(3) . . . . ?
O4P P4 N4P C4N -4.8(3) . . . . ?
C1M P4 N4P C4N -128.3(3) . . . . ?
C1Q P4 N4P C4N 119.4(3) . . . . ?
Na2 O1C C1N N1P 86.2(4) . . . . ?
Tb1 O1C C1N N1P -37.6(5) . . . . ?
Na1 O1C C1N N1P -164.3(3) . . . . ?
Na2 O1C C1N C11 -93.9(3) . . . . ?
Tb1 O1C C1N C11 142.3(2) . . . . ?
Na1 O1C C1N C11 15.6(3) . . . . ?
P1 N1P C1N O1C 3.0(5) . . . . ?
P1 N1P C1N C11 -176.9(2) . . . . ?
Na1 O2C C2N N2P 88.5(4) . . . . ?
Tb1 O2C C2N N2P -42.2(5) . . . . ?
Na2 O2C C2N N2P -160.5(3) . . . . ?
Na1 O2C C2N C21 -93.4(3) . . . . ?
Tb1 O2C C2N C21 135.9(2) . . . . ?
Na2 O2C C2N C21 17.6(4) . . . . ?
P2 N2P C2N O2C 4.4(5) . . . . ?
P2 N2P C2N C21 -173.7(2) . . . . ?
Na1 O3C C3N N3P -178.1(3) . . . . ?
Tb1 O3C C3N N3P -3.1(6) . . . . ?
Na1 O3C C3N C31 2.4(4) . . . . ?
Tb1 O3C C3N C31 177.4(2) . . . . ?
P3 N3P C3N O3C -12.6(5) . . . . ?
P3 N3P C3N C31 166.9(2) . . . . ?
Na2 O4C C4N N4P -171.5(3) . . . . ?
Tb1 O4C C4N N4P -15.2(5) . . . . ?
Na2 O4C C4N C41 9.3(4) . . . . ?
Tb1 O4C C4N C41 165.6(2) . . . . ?
P4 N4P C4N O4C -0.2(5) . . . . ?
P4 N4P C4N C41 179.0(2) . . . . ?
C14 N11 C11 C12 -1.1(5) . . . . ?
Na1 N11 C11 C12 177.1(2) . . . . ?
C14 N11 C11 C1N 179.6(3) . . . . ?
Na1 N11 C11 C1N -2.2(4) . . . . ?
O1C C1N C11 N11 -9.0(4) . . . . ?
N1P C1N C11 N11 170.9(3) . . . . ?
O1C C1N C11 C12 171.7(3) . . . . ?
N1P C1N C11 C12 -8.4(4) . . . . ?
C13 N12 C12 C11 -1.2(5) . . . . ?
N11 C11 C12 N12 2.0(5) . . . . ?
C1N C11 C12 N12 -178.7(3) . . . . ?
C12 N12 C13 C14 -0.5(5) . . . . ?
C11 N11 C14 C13 -0.5(5) . . . . ?
Na1 N11 C14 C13 -178.5(3) . . . . ?
N12 C13 C14 N11 1.3(6) . . . . ?
C24 N21 C21 C22 -0.6(5) . . . . ?
Na2 N21 C21 C22 168.8(3) . . . . ?
C24 N21 C21 C2N -178.5(3) . . . . ?
Na2 N21 C21 C2N -9.1(4) . . . . ?
O2C C2N C21 N21 -6.1(4) . . . . ?
N2P C2N C21 N21 172.2(3) . . . . ?
O2C C2N C21 C22 176.0(3) . . . . ?
N2P C2N C21 C22 -5.7(5) . . . . ?
C23 N22 C22 C21 0.1(5) . . . . ?
N21 C21 C22 N22 0.6(6) . . . . ?
C2N C21 C22 N22 178.5(3) . . . . ?
C22 N22 C23 C24 -0.8(6) . . . . ?
C21 N21 C24 C23 -0.1(5) . . . . ?
Na2 N21 C24 C23 -168.6(3) . . . . ?
N22 C23 C24 N21 0.9(6) . . . . ?
C34 N31 C31 C32 -0.8(5) . . . . ?
Na1 N31 C31 C32 -172.9(3) . . . . ?
C34 N31 C31 C3N 175.6(3) . . . . ?
Na1 N31 C31 C3N 3.5(4) . . . . ?
O3C C3N C31 N31 -4.0(5) . . . . ?
N3P C3N C31 N31 176.5(3) . . . . ?
O3C C3N C31 C32 172.4(3) . . . . ?
N3P C3N C31 C32 -7.1(5) . . . . ?
C33 N32 C32 C31 -0.9(5) . . . . ?
N31 C31 C32 N32 1.8(6) . . . . ?
C3N C31 C32 N32 -174.5(3) . . . . ?
C32 N32 C33 C34 -0.8(6) . . . . ?
C31 N31 C34 C33 -0.9(6) . . . . ?
Na1 N31 C34 C33 170.1(3) . . . . ?
N32 C33 C34 N31 1.8(7) . . . . ?
C44 N41 C41 C42 1.0(5) . . . . ?
Na2 N41 C41 C42 -177.2(3) . . . . ?
C44 N41 C41 C4N -178.7(3) . . . . ?
Na2 N41 C41 C4N 3.1(4) . . . . ?
O4C C4N C41 N41 -7.8(4) . . . . ?
N4P C4N C41 N41 172.9(3) . . . . ?
O4C C4N C41 C42 172.5(3) . . . . ?
N4P C4N C41 C42 -6.8(5) . . . . ?
C43 N42 C42 C41 0.1(5) . . . . ?
N41 C41 C42 N42 -1.3(5) . . . . ?
C4N C41 C42 N42 178.4(3) . . . . ?
C42 N42 C43 C44 1.2(5) . . . . ?
C41 N41 C44 C43 0.4(5) . . . . ?
Na2 N41 C44 C43 178.2(2) . . . . ?
N42 C43 C44 N41 -1.6(6) . . . . ?
O1P P1 C1B C6B -129.7(3) . . . . ?
N1P P1 C1B C6B -0.1(3) . . . . ?
C1E P1 C1B C6B 111.8(3) . . . . ?
O1P P1 C1B C2B 47.8(3) . . . . ?
N1P P1 C1B C2B 177.4(3) . . . . ?
C1E P1 C1B C2B -70.8(3) . . . . ?
C6B C1B C2B C3B 0.9(5) . . . . ?
P1 C1B C2B C3B -176.6(3) . . . . ?
C1B C2B C3B C4B -0.2(6) . . . . ?
C2B C3B C4B C5B -0.5(6) . . . . ?
C3B C4B C5B C6B 0.5(6) . . . . ?
C2B C1B C6B C5B -0.9(5) . . . . ?
P1 C1B C6B C5B 176.6(3) . . . . ?
C4B C5B C6B C1B 0.2(6) . . . . ?
O1P P1 C1E C2E -155.9(3) . . . . ?
N1P P1 C1E C2E 77.7(4) . . . . ?
C1B P1 C1E C2E -35.7(4) . . . . ?
O1P P1 C1E C6E 31.9(3) . . . . ?
N1P P1 C1E C6E -94.4(3) . . . . ?
C1B P1 C1E C6E 152.2(3) . . . . ?
C6E C1E C2E C3E -5.0(7) . . . . ?
P1 C1E C2E C3E -177.0(3) . . . . ?
C1E C2E C3E C4E 4.5(7) . . . . ?
C2E C3E C4E C5E -1.0(7) . . . . ?
C3E C4E C5E C6E -1.8(7) . . . . ?
C4E C5E C6E C1E 1.2(6) . . . . ?
C2E C1E C6E C5E 2.0(6) . . . . ?
P1 C1E C6E C5E 174.5(3) . . . . ?
O2P P2 C1F C6F 167.5(3) . . . . ?
N2P P2 C1F C6F 40.4(3) . . . . ?
C1G P2 C1F C6F -72.7(3) . . . . ?
O2P P2 C1F C2F -15.5(3) . . . . ?
N2P P2 C1F C2F -142.6(3) . . . . ?
C1G P2 C1F C2F 104.3(3) . . . . ?
C6F C1F C2F C3F 0.5(5) . . . . ?
P2 C1F C2F C3F -176.6(3) . . . . ?
C1F C2F C3F C4F -0.2(6) . . . . ?
C2F C3F C4F C5F 0.0(6) . . . . ?
C3F C4F C5F C6F 0.0(6) . . . . ?
C2F C1F C6F C5F -0.5(5) . . . . ?
P2 C1F C6F C5F 176.5(3) . . . . ?
C4F C5F C6F C1F 0.2(6) . . . . ?
O2P P2 C1G C2G 38.9(3) . . . . ?
N2P P2 C1G C2G 170.2(3) . . . . ?
C1F P2 C1G C2G -79.2(3) . . . . ?
O2P P2 C1G C6G -142.5(3) . . . . ?
N2P P2 C1G C6G -11.2(4) . . . . ?
C1F P2 C1G C6G 99.4(3) . . . . ?
C6G C1G C2G C3G 0.1(5) . . . . ?
P2 C1G C2G C3G 178.8(3) . . . . ?
C1G C2G C3G C4G -0.3(6) . . . . ?
C2G C3G C4G C5G 0.1(6) . . . . ?
C3G C4G C5G C6G 0.3(6) . . . . ?
C4G C5G C6G C1G -0.6(6) . . . . ?
C2G C1G C6G C5G 0.3(6) . . . . ?
P2 C1G C6G C5G -178.3(3) . . . . ?
O3P P3 C1H C2H -124.6(3) . . . . ?
N3P P3 C1H C2H 3.1(4) . . . . ?
C1K P3 C1H C2H 118.4(3) . . . . ?
O3P P3 C1H C6H 55.0(4) . . . . ?
N3P P3 C1H C6H -177.3(3) . . . . ?
C1K P3 C1H C6H -62.1(4) . . . . ?
C6H C1H C2H C3H -0.4(6) . . . . ?
P3 C1H C2H C3H 179.1(3) . . . . ?
C1H C2H C3H C4H 0.0(7) . . . . ?
C2H C3H C4H C5H 0.9(7) . . . . ?
C3H C4H C5H C6H -1.4(8) . . . . ?
C4H C5H C6H C1H 1.0(7) . . . . ?
C2H C1H C6H C5H -0.1(6) . . . . ?
P3 C1H C6H C5H -179.6(4) . . . . ?
O3P P3 C1K C2K 163.2(3) . . . . ?
N3P P3 C1K C2K 33.0(3) . . . . ?
C1H P3 C1K C2K -79.6(3) . . . . ?
O3P P3 C1K C6K -17.4(3) . . . . ?
N3P P3 C1K C6K -147.7(3) . . . . ?
C1H P3 C1K C6K 99.7(3) . . . . ?
C6K C1K C2K C3K -0.4(5) . . . . ?
P3 C1K C2K C3K 178.9(3) . . . . ?
C1K C2K C3K C4K -0.9(5) . . . . ?
C2K C3K C4K C5K 1.3(5) . . . . ?
C3K C4K C5K C6K -0.3(5) . . . . ?
C4K C5K C6K C1K -1.0(5) . . . . ?
C2K C1K C6K C5K 1.4(5) . . . . ?
P3 C1K C6K C5K -178.0(3) . . . . ?
O4P P4 C1M C2M -166.5(3) . . . . ?
N4P P4 C1M C2M -36.7(4) . . . . ?
C1Q P4 C1M C2M 75.3(3) . . . . ?
O4P P4 C1M C6M 17.9(3) . . . . ?
N4P P4 C1M C6M 147.8(3) . . . . ?
C1Q P4 C1M C6M -100.2(3) . . . . ?
C6M C1M C2M C3M 1.4(6) . . . . ?
P4 C1M C2M C3M -174.1(3) . . . . ?
C1M C2M C3M C4M -0.3(6) . . . . ?
C2M C3M C4M C5M -0.9(6) . . . . ?
C3M C4M C5M C6M 0.8(6) . . . . ?
C4M C5M C6M C1M 0.3(6) . . . . ?
C2M C1M C6M C5M -1.4(5) . . . . ?
P4 C1M C6M C5M 174.2(3) . . . . ?
O4P P4 C1Q C2Q 179.3(3) . . . . ?
N4P P4 C1Q C2Q 49.3(4) . . . . ?
C1M P4 C1Q C2Q -63.2(4) . . . . ?
O4P P4 C1Q C6Q 0.1(4) . . . . ?
N4P P4 C1Q C6Q -129.9(3) . . . . ?
C1M P4 C1Q C6Q 117.6(3) . . . . ?
C6Q C1Q C2Q C3Q -2.1(6) . . . . ?
P4 C1Q C2Q C3Q 178.7(3) . . . . ?
C1Q C2Q C3Q C4Q -0.1(6) . . . . ?
C2Q C3Q C4Q C5Q 2.9(7) . . . . ?
C3Q C4Q C5Q C6Q -3.5(7) . . . . ?
C4Q C5Q C6Q C1Q 1.3(7) . . . . ?
C2Q C1Q C6Q C5Q 1.5(6) . . . . ?
P4 C1Q C6Q C5Q -179.3(3) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C1D H1D O2T 0.95 2.45 3.373(4) 164.8 2_667
C14 H14 F1T 0.95 2.57 3.431(5) 150.5 .
C44 H44 O2T 0.95 2.50 3.397(5) 157.3 2_667

_refine_diff_density_max         1.451
_refine_diff_density_min         -0.806
_refine_diff_density_rms         0.110

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Na2SmL4
_database_code_depnum_ccdc_archive 'CCDC 1957271'
loop_
_audit_author_name
_audit_author_address
'yen hoang pham'
;University of Wroclaw
Poland
;
_audit_update_record             
;
2019-10-02 deposited with the CCDC.	2020-06-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'2(Na 1+), Sm 3+, 4(C17 H13 N3 O2 P 1-), C F3 S O3 1-, C3 H7 N O'
_chemical_formula_sum            'C72 H59 F3 N13 Na2 O12 P4 S Sm'
_chemical_formula_weight         1707.59

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'
F F 0.0171 0.0103 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sm Sm -0.1638 3.4418 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.336(3)
_cell_length_b                   16.063(4)
_cell_length_c                   16.274(3)
_cell_angle_alpha                92.09(2)
_cell_angle_beta                 97.29(2)
_cell_angle_gamma                109.48(2)
_cell_volume                     3735.6(14)
_cell_formula_units_Z            2
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    12050
_cell_measurement_theta_min      2.8489
_cell_measurement_theta_max      28.7954

_exptl_crystal_description       tabular
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.518
_exptl_crystal_F_000             1730
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.340
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.180
_exptl_absorpt_coefficient_mu    0.989
_shelx_estimated_absorpt_T_min   0.730
_shelx_estimated_absorpt_T_max   0.842
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.816
_exptl_absorpt_correction_T_max  0.874
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      120(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_measurement_device_type  'Xcalibur, Sapphire2, large Be window'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 8.3359
_diffrn_reflns_number            28501
_diffrn_reflns_av_unetI/netI     0.0983
_diffrn_reflns_av_R_equivalents  0.0512
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.849
_diffrn_reflns_theta_max         28.796
_diffrn_reflns_theta_full        25.500
_diffrn_measured_fraction_theta_max 0.888
_diffrn_measured_fraction_theta_full 0.982
_diffrn_reflns_Laue_measured_fraction_max 0.888
_diffrn_reflns_Laue_measured_fraction_full 0.982
_diffrn_reflns_point_group_measured_fraction_max 0.888
_diffrn_reflns_point_group_measured_fraction_full 0.982
_reflns_number_total             17313
_reflns_number_gt                13351
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_structure_solution    'SHELXS-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Diamond 3.0d (Crystal Impact, 2005)'
_computing_publication_material  'WinGX 2014 (Farrugia, 2014)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0692P)²+0.8197P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     patterson
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         17313
_refine_ls_number_parameters     975
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0818
_refine_ls_R_factor_gt           0.0582
_refine_ls_wR_factor_ref         0.1472
_refine_ls_wR_factor_gt          0.1304
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_restrained_S_all      1.015
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sm1 Sm 0.78669(2) 0.74599(2) 0.72805(2) 0.01583(7) Uani 1 1 d . . . . .
Na1 Na 0.66434(12) 0.51175(10) 0.73130(10) 0.0200(4) Uani 1 1 d . . . . .
Na2 Na 0.59788(12) 0.66999(11) 0.84514(11) 0.0209(4) Uani 1 1 d . . . . .
P1 P 0.59812(8) 0.80559(7) 0.62513(7) 0.0182(2) Uani 1 1 d . . . . .
P2 P 0.94753(8) 0.66305(7) 0.84649(7) 0.0174(2) Uani 1 1 d . . . . .
P3 P 0.87447(8) 0.97060(7) 0.80190(7) 0.0183(2) Uani 1 1 d . . . . .
P4 P 0.90711(8) 0.73690(7) 0.56104(7) 0.0182(2) Uani 1 1 d . . . . .
S1T S 0.61331(9) 0.38359(8) 0.86877(8) 0.0288(3) Uani 1 1 d . . . . .
F1T F 0.5464(3) 0.2700(2) 0.73764(19) 0.0547(10) Uani 1 1 d . . . . .
F2T F 0.5938(3) 0.2162(2) 0.8463(2) 0.0660(12) Uani 1 1 d . . . . .
F3T F 0.4644(3) 0.2411(2) 0.8379(2) 0.0601(11) Uani 1 1 d . . . . .
O1T O 0.7020(3) 0.4083(3) 0.8404(3) 0.0450(10) Uani 1 1 d . . . . .
O2T O 0.5563(3) 0.4329(3) 0.8330(2) 0.0427(10) Uani 1 1 d . . . . .
O3T O 0.6121(3) 0.3730(2) 0.9562(2) 0.0393(9) Uani 1 1 d . . . . .
C1T C 0.5522(5) 0.2733(4) 0.8204(3) 0.0417(14) Uani 1 1 d . . . . .
O1D O 0.4418(2) 0.6119(2) 0.7990(2) 0.0305(8) Uani 1 1 d . . . . .
N1D N 0.2903(3) 0.6015(3) 0.7978(2) 0.0242(8) Uani 1 1 d . . . . .
C1D C 0.3769(3) 0.6152(3) 0.8344(3) 0.0259(10) Uani 1 1 d . . . . .
H1D H 0.3897 0.6286 0.8930 0.031 Uiso 1 1 calc R U . . .
C2D C 0.2633(4) 0.5746(4) 0.7099(3) 0.0427(14) Uani 1 1 d . . . . .
H2D1 H 0.3190 0.5790 0.6844 0.064 Uiso 1 1 calc R U . . .
H2D2 H 0.2323 0.6134 0.6837 0.064 Uiso 1 1 calc R U . . .
H2D3 H 0.2201 0.5133 0.7020 0.064 Uiso 1 1 calc R U . . .
C3D C 0.2166(4) 0.6022(4) 0.8450(4) 0.0385(13) Uani 1 1 d . . . . .
H3D1 H 0.2415 0.6131 0.9044 0.058 Uiso 1 1 calc R U . . .
H3D2 H 0.1659 0.5448 0.8347 0.058 Uiso 1 1 calc R U . . .
H3D3 H 0.1924 0.6492 0.8278 0.058 Uiso 1 1 calc R U . . .
O1C O 0.6209(2) 0.64542(18) 0.70119(17) 0.0169(6) Uani 1 1 d . . . . .
O2C O 0.7440(2) 0.63657(18) 0.83539(17) 0.0177(6) Uani 1 1 d . . . . .
O3C O 0.7230(2) 0.80315(18) 0.83822(18) 0.0195(6) Uani 1 1 d . . . . .
O4C O 0.7771(2) 0.60736(18) 0.65865(18) 0.0198(7) Uani 1 1 d . . . . .
O1P O 0.6996(2) 0.82621(18) 0.65973(18) 0.0189(6) Uani 1 1 d . . . . .
O2P O 0.9275(2) 0.72261(19) 0.78368(18) 0.0201(6) Uani 1 1 d . . . . .
O3P O 0.8905(2) 0.89077(18) 0.76391(18) 0.0200(7) Uani 1 1 d . . . . .
O4P O 0.8503(2) 0.78120(18) 0.60348(18) 0.0196(6) Uani 1 1 d . . . . .
N1P N 0.5324(3) 0.7010(2) 0.6054(2) 0.0200(8) Uani 1 1 d . . . . .
N2P N 0.8793(3) 0.6339(2) 0.9175(2) 0.0185(8) Uani 1 1 d . . . . .
N3P N 0.7905(3) 0.9568(2) 0.8573(2) 0.0196(8) Uani 1 1 d . . . . .
N4P N 0.8813(3) 0.6305(2) 0.5624(2) 0.0186(8) Uani 1 1 d . . . . .
N11 N 0.5131(3) 0.4776(2) 0.6403(2) 0.0236(8) Uani 1 1 d . . . . .
N12 N 0.3473(3) 0.4502(2) 0.5308(3) 0.0289(9) Uani 1 1 d . . . . .
N21 N 0.6541(3) 0.6153(2) 0.9704(2) 0.0218(8) Uani 1 1 d . . . . .
N22 N 0.7415(3) 0.5828(3) 1.1221(2) 0.0307(10) Uani 1 1 d . . . . .
N31 N 0.5878(3) 0.8086(2) 0.9280(2) 0.0199(8) Uani 1 1 d . . . . .
N32 N 0.6031(3) 0.9713(2) 1.0109(3) 0.0272(9) Uani 1 1 d . . . . .
N41 N 0.7246(3) 0.4316(2) 0.6279(2) 0.0258(9) Uani 1 1 d . . . . .
N42 N 0.7870(3) 0.3616(3) 0.4952(3) 0.0320(10) Uani 1 1 d . . . . .
C1N C 0.5540(3) 0.6379(3) 0.6429(3) 0.0157(8) Uani 1 1 d . . . . .
C2N C 0.7909(3) 0.6284(2) 0.9026(3) 0.0170(9) Uani 1 1 d . . . . .
C3N C 0.7289(3) 0.8799(3) 0.8667(3) 0.0180(9) Uani 1 1 d . . . . .
C4N C 0.8168(3) 0.5820(3) 0.6044(3) 0.0179(9) Uani 1 1 d . . . . .
C11 C 0.4886(3) 0.5455(3) 0.6126(3) 0.0171(9) Uani 1 1 d . . . . .
C12 C 0.4076(3) 0.5312(3) 0.5585(3) 0.0242(10) Uani 1 1 d . . . . .
H12 H 0.3935 0.5812 0.5399 0.029 Uiso 1 1 calc R U . . .
C13 C 0.3722(4) 0.3829(3) 0.5587(3) 0.0304(11) Uani 1 1 d . . . . .
H13 H 0.3323 0.3239 0.5412 0.037 Uiso 1 1 calc R U . . .
C14 C 0.4534(4) 0.3961(3) 0.6118(3) 0.0303(11) Uani 1 1 d . . . . .
H14 H 0.4681 0.3459 0.6292 0.036 Uiso 1 1 calc R U . . .
C21 C 0.7401(3) 0.6112(3) 0.9779(3) 0.0181(9) Uani 1 1 d . . . . .
C22 C 0.7830(4) 0.5956(3) 1.0541(3) 0.0258(10) Uani 1 1 d . . . . .
H22 H 0.8448 0.5942 1.0576 0.031 Uiso 1 1 calc R U . . .
C23 C 0.6551(4) 0.5866(3) 1.1124(3) 0.0322(12) Uani 1 1 d . . . . .
H23 H 0.6222 0.5782 1.1588 0.039 Uiso 1 1 calc R U . . .
C24 C 0.6114(4) 0.6020(3) 1.0380(3) 0.0273(11) Uani 1 1 d . . . . .
H24 H 0.5496 0.6034 1.0347 0.033 Uiso 1 1 calc R U . . .
C31 C 0.6576(3) 0.8839(3) 0.9204(3) 0.0175(9) Uani 1 1 d . . . . .
C32 C 0.6652(3) 0.9639(3) 0.9630(3) 0.0228(10) Uani 1 1 d . . . . .
H32 H 0.7169 1.0152 0.9577 0.027 Uiso 1 1 calc R U . . .
C33 C 0.5330(3) 0.8962(3) 1.0158(3) 0.0260(10) Uani 1 1 d . . . . .
H33 H 0.4864 0.8979 1.0484 0.031 Uiso 1 1 calc R U . . .
C34 C 0.5247(3) 0.8159(3) 0.9756(3) 0.0241(10) Uani 1 1 d . . . . .
H34 H 0.4733 0.7647 0.9819 0.029 Uiso 1 1 calc R U . . .
C41 C 0.7870(3) 0.4840(3) 0.5837(3) 0.0188(9) Uani 1 1 d . . . . .
C42 C 0.8180(3) 0.4483(3) 0.5187(3) 0.0252(10) Uani 1 1 d . . . . .
H42 H 0.8631 0.4872 0.4899 0.030 Uiso 1 1 calc R U . . .
C43 C 0.7251(4) 0.3102(3) 0.5390(3) 0.0370(13) Uani 1 1 d . . . . .
H43 H 0.7010 0.2481 0.5246 0.044 Uiso 1 1 calc R U . . .
C44 C 0.6950(4) 0.3445(3) 0.6043(3) 0.0321(12) Uani 1 1 d . . . . .
H44 H 0.6516 0.3048 0.6339 0.038 Uiso 1 1 calc R U . . .
C1B C 0.5415(3) 0.8555(3) 0.6932(3) 0.0208(9) Uani 1 1 d . . . . .
C2B C 0.5861(3) 0.9444(3) 0.7229(3) 0.0262(10) Uani 1 1 d . . . . .
H2B H 0.6432 0.9780 0.7050 0.031 Uiso 1 1 calc R U . . .
C3B C 0.5466(4) 0.9834(3) 0.7786(3) 0.0312(12) Uani 1 1 d . . . . .
H3B H 0.5766 1.0439 0.7984 0.037 Uiso 1 1 calc R U . . .
C4B C 0.4640(4) 0.9347(4) 0.8054(3) 0.0357(13) Uani 1 1 d . . . . .
H4B H 0.4379 0.9615 0.8441 0.043 Uiso 1 1 calc R U . . .
C5B C 0.4196(4) 0.8470(4) 0.7758(3) 0.0329(12) Uani 1 1 d . . . . .
H5B H 0.3625 0.8136 0.7937 0.039 Uiso 1 1 calc R U . . .
C6B C 0.4584(4) 0.8074(3) 0.7198(3) 0.0275(11) Uani 1 1 d . . . . .
H6B H 0.4276 0.7470 0.6997 0.033 Uiso 1 1 calc R U . . .
C1E C 0.5908(3) 0.8530(3) 0.5267(3) 0.0254(10) Uani 1 1 d . . . . .
C2E C 0.6630(4) 0.8586(3) 0.4796(3) 0.0347(12) Uani 1 1 d . . . . .
H2E H 0.7146 0.8419 0.5016 0.042 Uiso 1 1 calc R U . . .
C3E C 0.6584(5) 0.8887(4) 0.4004(4) 0.0460(15) Uani 1 1 d . . . . .
H3E H 0.7059 0.8915 0.3673 0.055 Uiso 1 1 calc R U . . .
C4E C 0.5826(5) 0.9146(4) 0.3706(4) 0.0485(17) Uani 1 1 d . . . . .
H4E H 0.5796 0.9363 0.3172 0.058 Uiso 1 1 calc R U . . .
C5E C 0.5122(5) 0.9093(4) 0.4171(3) 0.0436(15) Uani 1 1 d . . . . .
H5E H 0.4613 0.9275 0.3964 0.052 Uiso 1 1 calc R U . . .
C6E C 0.5169(4) 0.8768(3) 0.4947(3) 0.0360(12) Uani 1 1 d . . . . .
H6E H 0.4674 0.8710 0.5263 0.043 Uiso 1 1 calc R U . . .
C1F C 1.0619(3) 0.7187(3) 0.9051(3) 0.0216(9) Uani 1 1 d . . . . .
C2F C 1.1227(3) 0.7916(3) 0.8742(3) 0.0231(10) Uani 1 1 d . . . . .
H2F H 1.1025 0.8136 0.8247 0.028 Uiso 1 1 calc R U . . .
C3F C 1.2129(3) 0.8323(3) 0.9154(3) 0.0304(11) Uani 1 1 d . . . . .
H3F H 1.2545 0.8820 0.8939 0.036 Uiso 1 1 calc R U . . .
C4F C 1.2423(4) 0.8007(3) 0.9879(3) 0.0309(12) Uani 1 1 d . . . . .
H4F H 1.3038 0.8291 1.0166 0.037 Uiso 1 1 calc R U . . .
C5F C 1.1822(4) 0.7278(3) 1.0186(3) 0.0322(11) Uani 1 1 d . . . . .
H5F H 1.2028 0.7055 1.0679 0.039 Uiso 1 1 calc R U . . .
C6F C 1.0922(3) 0.6872(3) 0.9777(3) 0.0287(11) Uani 1 1 d . . . . .
H6F H 1.0508 0.6375 0.9993 0.034 Uiso 1 1 calc R U . . .
C1G C 0.9541(3) 0.5627(3) 0.7976(3) 0.0192(9) Uani 1 1 d . . . . .
C2G C 0.9943(3) 0.5682(3) 0.7247(3) 0.0223(10) Uani 1 1 d . . . . .
H2G H 1.0167 0.6235 0.7017 0.027 Uiso 1 1 calc R U . . .
C3G C 1.0018(4) 0.4928(3) 0.6857(3) 0.0286(11) Uani 1 1 d . . . . .
H3G H 1.0288 0.4967 0.6360 0.034 Uiso 1 1 calc R U . . .
C4G C 0.9698(4) 0.4126(3) 0.7193(3) 0.0362(13) Uani 1 1 d . . . . .
H4G H 0.9754 0.3611 0.6932 0.043 Uiso 1 1 calc R U . . .
C5G C 0.9295(4) 0.4075(3) 0.7908(4) 0.0414(14) Uani 1 1 d . . . . .
H5G H 0.9070 0.3519 0.8134 0.050 Uiso 1 1 calc R U . . .
C6G C 0.9211(4) 0.4821(3) 0.8309(3) 0.0288(11) Uani 1 1 d . . . . .
H6G H 0.8932 0.4776 0.8802 0.035 Uiso 1 1 calc R U . . .
C1H C 0.9800(3) 1.0374(3) 0.8674(3) 0.0229(10) Uani 1 1 d . . . . .
C2H C 0.9821(4) 1.1056(3) 0.9239(3) 0.0354(13) Uani 1 1 d . . . . .
H2H H 0.9256 1.1147 0.9322 0.043 Uiso 1 1 calc R U . . .
C3H C 1.0666(4) 1.1601(3) 0.9680(4) 0.0432(15) Uani 1 1 d . . . . .
H3H H 1.0682 1.2071 1.0059 0.052 Uiso 1 1 calc R U . . .
C4H C 1.1483(4) 1.1459(3) 0.9568(3) 0.0334(12) Uani 1 1 d . . . . .
H4H H 1.2062 1.1838 0.9866 0.040 Uiso 1 1 calc R U . . .
C5H C 1.1466(4) 1.0768(3) 0.9026(3) 0.0316(11) Uani 1 1 d . . . . .
H5H H 1.2030 1.0666 0.8962 0.038 Uiso 1 1 calc R U . . .
C6H C 1.0629(4) 1.0227(3) 0.8579(3) 0.0284(11) Uani 1 1 d . . . . .
H6H H 1.0618 0.9754 0.8206 0.034 Uiso 1 1 calc R U . . .
C1K C 0.8539(3) 1.0385(3) 0.7213(3) 0.0240(10) Uani 1 1 d . . . . .
C2K C 0.8352(4) 1.1163(3) 0.7393(3) 0.0337(12) Uani 1 1 d . . . . .
H2K H 0.8321 1.1336 0.7950 0.040 Uiso 1 1 calc R U . . .
C3K C 0.8214(4) 1.1677(3) 0.6765(4) 0.0435(15) Uani 1 1 d . . . . .
H3K H 0.8099 1.2210 0.6892 0.052 Uiso 1 1 calc R U . . .
C4K C 0.8243(5) 1.1420(4) 0.5944(4) 0.0473(16) Uani 1 1 d . . . . .
H4K H 0.8159 1.1782 0.5514 0.057 Uiso 1 1 calc R U . . .
C5K C 0.8394(4) 1.0631(4) 0.5758(3) 0.0432(14) Uani 1 1 d . . . . .
H5K H 0.8394 1.0444 0.5197 0.052 Uiso 1 1 calc R U . . .
C6K C 0.8543(4) 1.0119(4) 0.6389(3) 0.0326(12) Uani 1 1 d . . . . .
H6K H 0.8649 0.9583 0.6260 0.039 Uiso 1 1 calc R U . . .
C1M C 0.8975(3) 0.7560(3) 0.4525(3) 0.0224(10) Uani 1 1 d . . . . .
C2M C 0.8700(4) 0.6876(3) 0.3901(3) 0.0317(12) Uani 1 1 d . . . . .
H2M H 0.8573 0.6283 0.4045 0.038 Uiso 1 1 calc R U . . .
C3M C 0.8608(5) 0.7040(4) 0.3074(3) 0.0428(15) Uani 1 1 d . . . . .
H3M H 0.8412 0.6564 0.2653 0.051 Uiso 1 1 calc R U . . .
C4M C 0.8801(4) 0.7905(4) 0.2859(3) 0.0403(14) Uani 1 1 d . . . . .
H4M H 0.8741 0.8022 0.2291 0.048 Uiso 1 1 calc R U . . .
C5M C 0.9079(5) 0.8588(4) 0.3469(3) 0.0442(15) Uani 1 1 d . . . . .
H5M H 0.9216 0.9180 0.3320 0.053 Uiso 1 1 calc R U . . .
C6M C 0.9164(4) 0.8429(3) 0.4300(3) 0.0376(13) Uani 1 1 d . . . . .
H6M H 0.9349 0.8909 0.4718 0.045 Uiso 1 1 calc R U . . .
C1Q C 1.0282(3) 0.7902(3) 0.6037(3) 0.0198(9) Uani 1 1 d . . . . .
C2Q C 1.0965(3) 0.7521(3) 0.5935(3) 0.0234(10) Uani 1 1 d . . . . .
H2Q H 1.0792 0.6958 0.5635 0.028 Uiso 1 1 calc R U . . .
C3Q C 1.1890(3) 0.7961(3) 0.6269(3) 0.0250(10) Uani 1 1 d . . . . .
H3Q H 1.2347 0.7694 0.6203 0.030 Uiso 1 1 calc R U . . .
C4Q C 1.2153(4) 0.8787(3) 0.6697(3) 0.0270(11) Uani 1 1 d . . . . .
H4Q H 1.2791 0.9087 0.6918 0.032 Uiso 1 1 calc R U . . .
C5Q C 1.1493(4) 0.9177(3) 0.6805(3) 0.0297(11) Uani 1 1 d . . . . .
H5Q H 1.1674 0.9744 0.7098 0.036 Uiso 1 1 calc R U . . .
C6Q C 1.0557(3) 0.8730(3) 0.6481(3) 0.0244(10) Uani 1 1 d . . . . .
H6Q H 1.0101 0.8993 0.6563 0.029 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Sm1 O3P 2.341(3) . ?
Sm1 O1P 2.357(3) . ?
Sm1 O4P 2.366(3) . ?
Sm1 O2P 2.387(3) . ?
Sm1 O4C 2.411(3) . ?
Sm1 O3C 2.436(3) . ?
Sm1 O1C 2.489(3) . ?
Sm1 O2C 2.513(3) . ?
Sm1 Na2 3.5662(19) . ?
Sm1 Na1 3.6071(19) . ?
Na1 O4C 2.372(3) . ?
Na1 O2C 2.444(3) . ?
Na1 N11 2.469(4) . ?
Na1 O1C 2.499(3) . ?
Na1 N41 2.525(4) . ?
Na1 O2T 2.556(4) . ?
Na1 O1T 2.617(5) . ?
Na1 S1T 3.092(2) . ?
Na1 Na2 3.577(2) . ?
Na2 O1D 2.273(4) . ?
Na2 O3C 2.368(3) . ?
Na2 N21 2.421(4) . ?
Na2 O1C 2.450(3) . ?
Na2 O2C 2.494(3) . ?
Na2 N31 2.620(4) . ?
P1 O1P 1.507(3) . ?
P1 N1P 1.641(4) . ?
P1 C1E 1.805(5) . ?
P1 C1B 1.808(4) . ?
P2 O2P 1.497(3) . ?
P2 N2P 1.633(4) . ?
P2 C1F 1.803(5) . ?
P2 C1G 1.810(4) . ?
P3 O3P 1.510(3) . ?
P3 N3P 1.624(4) . ?
P3 C1H 1.796(5) . ?
P3 C1K 1.799(5) . ?
P4 O4P 1.508(3) . ?
P4 N4P 1.623(4) . ?
P4 C1Q 1.798(5) . ?
P4 C1M 1.800(5) . ?
S1T O1T 1.426(4) . ?
S1T O3T 1.442(3) . ?
S1T O2T 1.447(4) . ?
S1T C1T 1.801(6) . ?
F1T C1T 1.336(6) . ?
F2T C1T 1.332(7) . ?
F3T C1T 1.344(7) . ?
O1D C1D 1.227(5) . ?
N1D C1D 1.328(6) . ?
N1D C2D 1.446(6) . ?
N1D C3D 1.447(6) . ?
C1D H1D 0.9500 . ?
C2D H2D1 0.9800 . ?
C2D H2D2 0.9800 . ?
C2D H2D3 0.9800 . ?
C3D H3D1 0.9800 . ?
C3D H3D2 0.9800 . ?
C3D H3D3 0.9800 . ?
O1C C1N 1.276(5) . ?
O2C C2N 1.268(5) . ?
O3C C3N 1.271(5) . ?
O4C C4N 1.262(5) . ?
N1P C1N 1.314(5) . ?
N2P C2N 1.319(6) . ?
N3P C3N 1.309(5) . ?
N4P C4N 1.322(5) . ?
N11 C11 1.342(5) . ?
N11 C14 1.347(6) . ?
N12 C13 1.337(6) . ?
N12 C12 1.342(6) . ?
N21 C21 1.332(6) . ?
N21 C24 1.339(5) . ?
N22 C22 1.333(6) . ?
N22 C23 1.337(7) . ?
N31 C31 1.343(5) . ?
N31 C34 1.345(5) . ?
N32 C33 1.334(6) . ?
N32 C32 1.337(6) . ?
N41 C44 1.344(5) . ?
N41 C41 1.351(6) . ?
N42 C43 1.335(7) . ?
N42 C42 1.336(6) . ?
C1N C11 1.510(6) . ?
C2N C21 1.520(6) . ?
C3N C31 1.501(6) . ?
C4N C41 1.499(5) . ?
C11 C12 1.374(6) . ?
C12 H12 0.9500 . ?
C13 C14 1.371(7) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C21 C22 1.400(6) . ?
C22 H22 0.9500 . ?
C23 C24 1.379(7) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C31 C32 1.400(6) . ?
C32 H32 0.9500 . ?
C33 C34 1.384(6) . ?
C33 H33 0.9500 . ?
C34 H34 0.9500 . ?
C41 C42 1.391(6) . ?
C42 H42 0.9500 . ?
C43 C44 1.377(7) . ?
C43 H43 0.9500 . ?
C44 H44 0.9500 . ?
C1B C6B 1.385(7) . ?
C1B C2B 1.397(6) . ?
C2B C3B 1.390(7) . ?
C2B H2B 0.9500 . ?
C3B C4B 1.382(8) . ?
C3B H3B 0.9500 . ?
C4B C5B 1.382(7) . ?
C4B H4B 0.9500 . ?
C5B C6B 1.392(6) . ?
C5B H5B 0.9500 . ?
C6B H6B 0.9500 . ?
C1E C6E 1.362(7) . ?
C1E C2E 1.406(7) . ?
C2E C3E 1.395(7) . ?
C2E H2E 0.9500 . ?
C3E C4E 1.398(9) . ?
C3E H3E 0.9500 . ?
C4E C5E 1.378(9) . ?
C4E H4E 0.9500 . ?
C5E C6E 1.386(7) . ?
C5E H5E 0.9500 . ?
C6E H6E 0.9500 . ?
C1F C6F 1.388(7) . ?
C1F C2F 1.389(6) . ?
C2F C3F 1.385(7) . ?
C2F H2F 0.9500 . ?
C3F C4F 1.384(7) . ?
C3F H3F 0.9500 . ?
C4F C5F 1.381(7) . ?
C4F H4F 0.9500 . ?
C5F C6F 1.382(7) . ?
C5F H5F 0.9500 . ?
C6F H6F 0.9500 . ?
C1G C6G 1.382(6) . ?
C1G C2G 1.398(6) . ?
C2G C3G 1.391(6) . ?
C2G H2G 0.9500 . ?
C3G C4G 1.377(7) . ?
C3G H3G 0.9500 . ?
C4G C5G 1.379(7) . ?
C4G H4G 0.9500 . ?
C5G C6G 1.395(6) . ?
C5G H5G 0.9500 . ?
C6G H6G 0.9500 . ?
C1H C2H 1.393(6) . ?
C1H C6H 1.395(7) . ?
C2H C3H 1.387(7) . ?
C2H H2H 0.9500 . ?
C3H C4H 1.379(8) . ?
C3H H3H 0.9500 . ?
C4H C5H 1.383(7) . ?
C4H H4H 0.9500 . ?
C5H C6H 1.380(7) . ?
C5H H5H 0.9500 . ?
C6H H6H 0.9500 . ?
C1K C6K 1.394(7) . ?
C1K C2K 1.401(6) . ?
C2K C3K 1.377(7) . ?
C2K H2K 0.9500 . ?
C3K C4K 1.394(8) . ?
C3K H3K 0.9500 . ?
C4K C5K 1.392(8) . ?
C4K H4K 0.9500 . ?
C5K C6K 1.382(7) . ?
C5K H5K 0.9500 . ?
C6K H6K 0.9500 . ?
C1M C2M 1.385(6) . ?
C1M C6M 1.400(6) . ?
C2M C3M 1.380(7) . ?
C2M H2M 0.9500 . ?
C3M C4M 1.387(8) . ?
C3M H3M 0.9500 . ?
C4M C5M 1.368(8) . ?
C4M H4M 0.9500 . ?
C5M C6M 1.384(7) . ?
C5M H5M 0.9500 . ?
C6M H6M 0.9500 . ?
C1Q C6Q 1.395(6) . ?
C1Q C2Q 1.402(6) . ?
C2Q C3Q 1.383(7) . ?
C2Q H2Q 0.9500 . ?
C3Q C4Q 1.383(6) . ?
C3Q H3Q 0.9500 . ?
C4Q C5Q 1.382(7) . ?
C4Q H4Q 0.9500 . ?
C5Q C6Q 1.395(7) . ?
C5Q H5Q 0.9500 . ?
C6Q H6Q 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O3P Sm1 O1P 79.95(11) . . ?
O3P Sm1 O4P 78.27(10) . . ?
O1P Sm1 O4P 75.19(10) . . ?
O3P Sm1 O2P 77.52(10) . . ?
O1P Sm1 O2P 154.33(10) . . ?
O4P Sm1 O2P 88.26(11) . . ?
O3P Sm1 O4C 141.13(10) . . ?
O1P Sm1 O4C 117.17(10) . . ?
O4P Sm1 O4C 73.73(10) . . ?
O2P Sm1 O4C 75.25(10) . . ?
O3P Sm1 O3C 75.43(10) . . ?
O1P Sm1 O3C 75.47(10) . . ?
O4P Sm1 O3C 143.36(10) . . ?
O2P Sm1 O3C 110.11(10) . . ?
O4C Sm1 O3C 140.46(10) . . ?
O3P Sm1 O1C 146.95(10) . . ?
O1P Sm1 O1C 73.20(10) . . ?
O4P Sm1 O1C 112.08(10) . . ?
O2P Sm1 O1C 132.04(10) . . ?
O4C Sm1 O1C 70.29(10) . . ?
O3C Sm1 O1C 79.42(10) . . ?
O3P Sm1 O2C 121.63(10) . . ?
O1P Sm1 O2C 129.69(10) . . ?
O4P Sm1 O2C 147.77(9) . . ?
O2P Sm1 O2C 73.65(10) . . ?
O4C Sm1 O2C 75.93(9) . . ?
O3C Sm1 O2C 68.85(10) . . ?
O1C Sm1 O2C 66.43(10) . . ?
O3P Sm1 Na2 116.70(8) . . ?
O1P Sm1 Na2 85.56(8) . . ?
O4P Sm1 Na2 153.40(8) . . ?
O2P Sm1 Na2 115.60(8) . . ?
O4C Sm1 Na2 99.99(8) . . ?
O3C Sm1 Na2 41.33(7) . . ?
O1C Sm1 Na2 43.34(7) . . ?
O2C Sm1 Na2 44.36(7) . . ?
O3P Sm1 Na1 162.43(8) . . ?
O1P Sm1 Na1 115.66(8) . . ?
O4P Sm1 Na1 112.43(8) . . ?
O2P Sm1 Na1 88.61(8) . . ?
O4C Sm1 Na1 40.64(8) . . ?
O3C Sm1 Na1 99.83(8) . . ?
O1C Sm1 Na1 43.79(7) . . ?
O2C Sm1 Na1 42.57(7) . . ?
Na2 Sm1 Na1 59.82(4) . . ?
O4C Na1 O2C 77.96(11) . . ?
O4C Na1 N11 105.45(13) . . ?
O2C Na1 N11 128.98(13) . . ?
O4C Na1 O1C 70.74(11) . . ?
O2C Na1 O1C 67.32(10) . . ?
N11 Na1 O1C 66.39(11) . . ?
O4C Na1 N41 66.11(12) . . ?
O2C Na1 N41 132.05(14) . . ?
N11 Na1 N41 91.80(14) . . ?
O1C Na1 N41 123.48(13) . . ?
O4C Na1 O2T 168.70(14) . . ?
O2C Na1 O2T 90.74(13) . . ?
N11 Na1 O2T 81.41(14) . . ?
O1C Na1 O2T 104.86(12) . . ?
N41 Na1 O2T 123.38(14) . . ?
O4C Na1 O1T 123.94(13) . . ?
O2C Na1 O1T 87.81(13) . . ?
N11 Na1 O1T 124.54(14) . . ?
O1C Na1 O1T 148.77(13) . . ?
N41 Na1 O1T 87.03(13) . . ?
O2T Na1 O1T 54.88(12) . . ?
O4C Na1 S1T 150.68(11) . . ?
O2C Na1 S1T 91.11(9) . . ?
N11 Na1 S1T 102.56(11) . . ?
O1C Na1 S1T 129.97(9) . . ?
N41 Na1 S1T 104.76(10) . . ?
O2T Na1 S1T 27.66(9) . . ?
O1T Na1 S1T 27.34(9) . . ?
O4C Na1 Na2 100.50(9) . . ?
O2C Na1 Na2 44.13(8) . . ?
N11 Na1 Na2 86.54(10) . . ?
O1C Na1 Na2 43.18(7) . . ?
N41 Na1 Na2 165.55(11) . . ?
O2T Na1 Na2 70.58(10) . . ?
O1T Na1 Na2 105.73(11) . . ?
S1T Na1 Na2 89.60(6) . . ?
O4C Na1 Sm1 41.45(7) . . ?
O2C Na1 Sm1 44.07(7) . . ?
N11 Na1 Sm1 106.60(10) . . ?
O1C Na1 Sm1 43.57(7) . . ?
N41 Na1 Sm1 107.51(10) . . ?
O2T Na1 Sm1 128.40(10) . . ?
O1T Na1 Sm1 126.51(11) . . ?
S1T Na1 Sm1 135.18(6) . . ?
Na2 Na1 Sm1 59.52(4) . . ?
O1D Na2 O3C 137.99(14) . . ?
O1D Na2 N21 116.55(14) . . ?
O3C Na2 N21 101.61(14) . . ?
O1D Na2 O1C 86.81(13) . . ?
O3C Na2 O1C 81.54(11) . . ?
N21 Na2 O1C 129.69(13) . . ?
O1D Na2 O2C 139.77(13) . . ?
O3C Na2 O2C 70.24(11) . . ?
N21 Na2 O2C 66.94(12) . . ?
O1C Na2 O2C 67.32(11) . . ?
O1D Na2 N31 94.73(14) . . ?
O3C Na2 N31 65.50(11) . . ?
N21 Na2 N31 92.33(13) . . ?
O1C Na2 N31 131.71(12) . . ?
O2C Na2 N31 125.50(13) . . ?
O1D Na2 Sm1 128.98(11) . . ?
O3C Na2 Sm1 42.80(7) . . ?
N21 Na2 Sm1 107.91(11) . . ?
O1C Na2 Sm1 44.21(8) . . ?
O2C Na2 Sm1 44.80(7) . . ?
N31 Na2 Sm1 107.60(10) . . ?
O1D Na2 Na1 96.96(11) . . ?
O3C Na2 Na1 102.08(9) . . ?
N21 Na2 Na1 87.11(10) . . ?
O1C Na2 Na1 44.26(8) . . ?
O2C Na2 Na1 43.04(8) . . ?
N31 Na2 Na1 167.20(11) . . ?
Sm1 Na2 Na1 60.66(4) . . ?
O1P P1 N1P 117.70(18) . . ?
O1P P1 C1E 108.9(2) . . ?
N1P P1 C1E 104.8(2) . . ?
O1P P1 C1B 110.83(19) . . ?
N1P P1 C1B 106.9(2) . . ?
C1E P1 C1B 107.1(2) . . ?
O2P P2 N2P 118.58(19) . . ?
O2P P2 C1F 108.6(2) . . ?
N2P P2 C1F 104.1(2) . . ?
O2P P2 C1G 111.82(19) . . ?
N2P P2 C1G 107.37(19) . . ?
C1F P2 C1G 105.3(2) . . ?
O3P P3 N3P 119.70(18) . . ?
O3P P3 C1H 108.6(2) . . ?
N3P P3 C1H 106.3(2) . . ?
O3P P3 C1K 109.58(19) . . ?
N3P P3 C1K 105.8(2) . . ?
C1H P3 C1K 106.0(2) . . ?
O4P P4 N4P 118.86(18) . . ?
O4P P4 C1Q 108.18(19) . . ?
N4P P4 C1Q 108.8(2) . . ?
O4P P4 C1M 109.21(19) . . ?
N4P P4 C1M 104.8(2) . . ?
C1Q P4 C1M 106.3(2) . . ?
O1T S1T O3T 117.2(3) . . ?
O1T S1T O2T 112.2(2) . . ?
O3T S1T O2T 115.0(2) . . ?
O1T S1T C1T 104.1(3) . . ?
O3T S1T C1T 103.6(2) . . ?
O2T S1T C1T 102.5(3) . . ?
O1T S1T Na1 57.43(18) . . ?
O3T S1T Na1 147.49(16) . . ?
O2T S1T Na1 55.09(17) . . ?
C1T S1T Na1 108.73(18) . . ?
S1T O1T Na1 95.2(2) . . ?
S1T O2T Na1 97.2(2) . . ?
F2T C1T F1T 107.1(5) . . ?
F2T C1T F3T 106.3(5) . . ?
F1T C1T F3T 107.1(5) . . ?
F2T C1T S1T 112.0(4) . . ?
F1T C1T S1T 112.2(4) . . ?
F3T C1T S1T 111.8(4) . . ?
C1D O1D Na2 128.5(3) . . ?
C1D N1D C2D 120.8(4) . . ?
C1D N1D C3D 121.9(4) . . ?
C2D N1D C3D 117.0(4) . . ?
O1D C1D N1D 125.5(5) . . ?
O1D C1D H1D 117.2 . . ?
N1D C1D H1D 117.2 . . ?
N1D C2D H2D1 109.5 . . ?
N1D C2D H2D2 109.5 . . ?
H2D1 C2D H2D2 109.5 . . ?
N1D C2D H2D3 109.5 . . ?
H2D1 C2D H2D3 109.5 . . ?
H2D2 C2D H2D3 109.5 . . ?
N1D C3D H3D1 109.5 . . ?
N1D C3D H3D2 109.5 . . ?
H3D1 C3D H3D2 109.5 . . ?
N1D C3D H3D3 109.5 . . ?
H3D1 C3D H3D3 109.5 . . ?
H3D2 C3D H3D3 109.5 . . ?
C1N O1C Na2 118.7(3) . . ?
C1N O1C Sm1 132.4(2) . . ?
Na2 O1C Sm1 92.45(11) . . ?
C1N O1C Na1 118.6(2) . . ?
Na2 O1C Na1 92.57(11) . . ?
Sm1 O1C Na1 92.64(11) . . ?
C2N O2C Na1 122.1(2) . . ?
C2N O2C Na2 117.5(3) . . ?
Na1 O2C Na2 92.83(12) . . ?
C2N O2C Sm1 130.6(3) . . ?
Na1 O2C Sm1 93.36(10) . . ?
Na2 O2C Sm1 90.84(10) . . ?
C3N O3C Na2 125.8(3) . . ?
C3N O3C Sm1 135.0(3) . . ?
Na2 O3C Sm1 95.87(11) . . ?
C4N O4C Na1 124.9(3) . . ?
C4N O4C Sm1 137.1(3) . . ?
Na1 O4C Sm1 97.92(11) . . ?
P1 O1P Sm1 134.69(17) . . ?
P2 O2P Sm1 132.30(18) . . ?
P3 O3P Sm1 130.05(18) . . ?
P4 O4P Sm1 127.79(17) . . ?
C1N N1P P1 121.8(3) . . ?
C2N N2P P2 120.9(3) . . ?
C3N N3P P3 124.5(3) . . ?
C4N N4P P4 122.4(3) . . ?
C11 N11 C14 115.7(4) . . ?
C11 N11 Na1 118.2(3) . . ?
C14 N11 Na1 126.1(3) . . ?
C13 N12 C12 115.0(4) . . ?
C21 N21 C24 116.8(4) . . ?
C21 N21 Na2 117.8(3) . . ?
C24 N21 Na2 124.5(3) . . ?
C22 N22 C23 114.8(4) . . ?
C31 N31 C34 116.1(4) . . ?
C31 N31 Na2 113.3(3) . . ?
C34 N31 Na2 130.6(3) . . ?
C33 N32 C32 114.9(4) . . ?
C44 N41 C41 115.5(4) . . ?
C44 N41 Na1 128.5(3) . . ?
C41 N41 Na1 115.6(3) . . ?
C43 N42 C42 115.9(4) . . ?
O1C C1N N1P 128.4(4) . . ?
O1C C1N C11 117.5(4) . . ?
N1P C1N C11 114.0(4) . . ?
O2C C2N N2P 129.1(4) . . ?
O2C C2N C21 116.6(4) . . ?
N2P C2N C21 114.4(4) . . ?
O3C C3N N3P 128.8(4) . . ?
O3C C3N C31 116.3(4) . . ?
N3P C3N C31 114.8(4) . . ?
O4C C4N N4P 128.8(4) . . ?
O4C C4N C41 116.3(4) . . ?
N4P C4N C41 115.0(4) . . ?
N11 C11 C12 121.2(4) . . ?
N11 C11 C1N 117.2(4) . . ?
C12 C11 C1N 121.7(4) . . ?
N12 C12 C11 123.4(4) . . ?
N12 C12 H12 118.3 . . ?
C11 C12 H12 118.3 . . ?
N12 C13 C14 122.3(4) . . ?
N12 C13 H13 118.9 . . ?
C14 C13 H13 118.9 . . ?
N11 C14 C13 122.5(4) . . ?
N11 C14 H14 118.8 . . ?
C13 C14 H14 118.8 . . ?
N21 C21 C22 120.6(4) . . ?
N21 C21 C2N 117.8(4) . . ?
C22 C21 C2N 121.6(4) . . ?
N22 C22 C21 123.2(5) . . ?
N22 C22 H22 118.4 . . ?
C21 C22 H22 118.4 . . ?
N22 C23 C24 123.0(4) . . ?
N22 C23 H23 118.5 . . ?
C24 C23 H23 118.5 . . ?
N21 C24 C23 121.6(5) . . ?
N21 C24 H24 119.2 . . ?
C23 C24 H24 119.2 . . ?
N31 C31 C32 121.1(4) . . ?
N31 C31 C3N 118.3(4) . . ?
C32 C31 C3N 120.5(4) . . ?
N32 C32 C31 122.9(4) . . ?
N32 C32 H32 118.5 . . ?
C31 C32 H32 118.5 . . ?
N32 C33 C34 123.3(4) . . ?
N32 C33 H33 118.3 . . ?
C34 C33 H33 118.3 . . ?
N31 C34 C33 121.5(4) . . ?
N31 C34 H34 119.2 . . ?
C33 C34 H34 119.2 . . ?
N41 C41 C42 121.2(4) . . ?
N41 C41 C4N 117.0(4) . . ?
C42 C41 C4N 121.7(4) . . ?
N42 C42 C41 122.6(4) . . ?
N42 C42 H42 118.7 . . ?
C41 C42 H42 118.7 . . ?
N42 C43 C44 122.0(4) . . ?
N42 C43 H43 119.0 . . ?
C44 C43 H43 119.0 . . ?
N41 C44 C43 122.7(5) . . ?
N41 C44 H44 118.6 . . ?
C43 C44 H44 118.6 . . ?
C6B C1B C2B 119.5(4) . . ?
C6B C1B P1 122.0(3) . . ?
C2B C1B P1 118.4(4) . . ?
C3B C2B C1B 119.7(5) . . ?
C3B C2B H2B 120.1 . . ?
C1B C2B H2B 120.1 . . ?
C4B C3B C2B 120.5(5) . . ?
C4B C3B H3B 119.7 . . ?
C2B C3B H3B 119.7 . . ?
C5B C4B C3B 119.8(5) . . ?
C5B C4B H4B 120.1 . . ?
C3B C4B H4B 120.1 . . ?
C4B C5B C6B 120.1(5) . . ?
C4B C5B H5B 119.9 . . ?
C6B C5B H5B 119.9 . . ?
C1B C6B C5B 120.3(5) . . ?
C1B C6B H6B 119.8 . . ?
C5B C6B H6B 119.8 . . ?
C6E C1E C2E 119.9(5) . . ?
C6E C1E P1 123.4(4) . . ?
C2E C1E P1 116.5(4) . . ?
C3E C2E C1E 119.6(6) . . ?
C3E C2E H2E 120.2 . . ?
C1E C2E H2E 120.2 . . ?
C2E C3E C4E 118.8(6) . . ?
C2E C3E H3E 120.6 . . ?
C4E C3E H3E 120.6 . . ?
C5E C4E C3E 121.3(5) . . ?
C5E C4E H4E 119.3 . . ?
C3E C4E H4E 119.3 . . ?
C4E C5E C6E 118.9(6) . . ?
C4E C5E H5E 120.6 . . ?
C6E C5E H5E 120.6 . . ?
C1E C6E C5E 121.4(5) . . ?
C1E C6E H6E 119.3 . . ?
C5E C6E H6E 119.3 . . ?
C6F C1F C2F 119.4(5) . . ?
C6F C1F P2 121.5(4) . . ?
C2F C1F P2 119.0(4) . . ?
C3F C2F C1F 120.2(5) . . ?
C3F C2F H2F 119.9 . . ?
C1F C2F H2F 119.9 . . ?
C4F C3F C2F 119.9(5) . . ?
C4F C3F H3F 120.1 . . ?
C2F C3F H3F 120.1 . . ?
C5F C4F C3F 120.1(5) . . ?
C5F C4F H4F 119.9 . . ?
C3F C4F H4F 119.9 . . ?
C4F C5F C6F 120.0(5) . . ?
C4F C5F H5F 120.0 . . ?
C6F C5F H5F 120.0 . . ?
C5F C6F C1F 120.3(5) . . ?
C5F C6F H6F 119.8 . . ?
C1F C6F H6F 119.8 . . ?
C6G C1G C2G 120.0(4) . . ?
C6G C1G P2 121.6(3) . . ?
C2G C1G P2 118.4(3) . . ?
C3G C2G C1G 120.2(4) . . ?
C3G C2G H2G 119.9 . . ?
C1G C2G H2G 119.9 . . ?
C4G C3G C2G 119.9(5) . . ?
C4G C3G H3G 120.0 . . ?
C2G C3G H3G 120.0 . . ?
C3G C4G C5G 119.6(5) . . ?
C3G C4G H4G 120.2 . . ?
C5G C4G H4G 120.2 . . ?
C4G C5G C6G 121.6(5) . . ?
C4G C5G H5G 119.2 . . ?
C6G C5G H5G 119.2 . . ?
C1G C6G C5G 118.7(5) . . ?
C1G C6G H6G 120.6 . . ?
C5G C6G H6G 120.6 . . ?
C2H C1H C6H 119.4(4) . . ?
C2H C1H P3 122.2(4) . . ?
C6H C1H P3 118.3(3) . . ?
C3H C2H C1H 120.0(5) . . ?
C3H C2H H2H 120.0 . . ?
C1H C2H H2H 120.0 . . ?
C4H C3H C2H 119.9(5) . . ?
C4H C3H H3H 120.0 . . ?
C2H C3H H3H 120.0 . . ?
C3H C4H C5H 120.5(5) . . ?
C3H C4H H4H 119.8 . . ?
C5H C4H H4H 119.8 . . ?
C6H C5H C4H 120.0(5) . . ?
C6H C5H H5H 120.0 . . ?
C4H C5H H5H 120.0 . . ?
C5H C6H C1H 120.2(4) . . ?
C5H C6H H6H 119.9 . . ?
C1H C6H H6H 119.9 . . ?
C6K C1K C2K 119.2(5) . . ?
C6K C1K P3 119.2(4) . . ?
C2K C1K P3 121.5(4) . . ?
C3K C2K C1K 120.2(5) . . ?
C3K C2K H2K 119.9 . . ?
C1K C2K H2K 119.9 . . ?
C2K C3K C4K 120.2(5) . . ?
C2K C3K H3K 119.9 . . ?
C4K C3K H3K 119.9 . . ?
C5K C4K C3K 119.8(5) . . ?
C5K C4K H4K 120.1 . . ?
C3K C4K H4K 120.1 . . ?
C6K C5K C4K 119.9(5) . . ?
C6K C5K H5K 120.1 . . ?
C4K C5K H5K 120.1 . . ?
C5K C6K C1K 120.5(5) . . ?
C5K C6K H6K 119.7 . . ?
C1K C6K H6K 119.7 . . ?
C2M C1M C6M 118.6(4) . . ?
C2M C1M P4 122.4(4) . . ?
C6M C1M P4 119.0(4) . . ?
C3M C2M C1M 121.1(5) . . ?
C3M C2M H2M 119.5 . . ?
C1M C2M H2M 119.5 . . ?
C2M C3M C4M 119.8(5) . . ?
C2M C3M H3M 120.1 . . ?
C4M C3M H3M 120.1 . . ?
C5M C4M C3M 119.8(5) . . ?
C5M C4M H4M 120.1 . . ?
C3M C4M H4M 120.1 . . ?
C4M C5M C6M 120.9(5) . . ?
C4M C5M H5M 119.6 . . ?
C6M C5M H5M 119.6 . . ?
C5M C6M C1M 119.9(5) . . ?
C5M C6M H6M 120.1 . . ?
C1M C6M H6M 120.1 . . ?
C6Q C1Q C2Q 118.5(4) . . ?
C6Q C1Q P4 119.0(4) . . ?
C2Q C1Q P4 122.5(3) . . ?
C3Q C2Q C1Q 120.3(4) . . ?
C3Q C2Q H2Q 119.8 . . ?
C1Q C2Q H2Q 119.8 . . ?
C4Q C3Q C2Q 120.5(4) . . ?
C4Q C3Q H3Q 119.8 . . ?
C2Q C3Q H3Q 119.8 . . ?
C5Q C4Q C3Q 120.3(5) . . ?
C5Q C4Q H4Q 119.9 . . ?
C3Q C4Q H4Q 119.9 . . ?
C4Q C5Q C6Q 119.5(4) . . ?
C4Q C5Q H5Q 120.2 . . ?
C6Q C5Q H5Q 120.2 . . ?
C1Q C6Q C5Q 120.9(4) . . ?
C1Q C6Q H6Q 119.6 . . ?
C5Q C6Q H6Q 119.6 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O3T S1T O1T Na1 -142.8(2) . . . . ?
O2T S1T O1T Na1 -6.6(3) . . . . ?
C1T S1T O1T Na1 103.5(2) . . . . ?
O1T S1T O2T Na1 6.8(3) . . . . ?
O3T S1T O2T Na1 144.03(19) . . . . ?
C1T S1T O2T Na1 -104.3(2) . . . . ?
O1T S1T C1T F2T 63.6(5) . . . . ?
O3T S1T C1T F2T -59.4(5) . . . . ?
O2T S1T C1T F2T -179.4(4) . . . . ?
Na1 S1T C1T F2T 123.6(4) . . . . ?
O1T S1T C1T F1T -56.8(5) . . . . ?
O3T S1T C1T F1T -179.9(4) . . . . ?
O2T S1T C1T F1T 60.2(5) . . . . ?
Na1 S1T C1T F1T 3.1(5) . . . . ?
O1T S1T C1T F3T -177.2(4) . . . . ?
O3T S1T C1T F3T 59.7(5) . . . . ?
O2T S1T C1T F3T -60.2(4) . . . . ?
Na1 S1T C1T F3T -117.3(4) . . . . ?
Na2 O1D C1D N1D 161.0(3) . . . . ?
C2D N1D C1D O1D 4.4(7) . . . . ?
C3D N1D C1D O1D 176.7(5) . . . . ?
N1P P1 O1P Sm1 -19.7(3) . . . . ?
C1E P1 O1P Sm1 -138.7(2) . . . . ?
C1B P1 O1P Sm1 103.7(3) . . . . ?
N2P P2 O2P Sm1 -27.1(3) . . . . ?
C1F P2 O2P Sm1 -145.6(2) . . . . ?
C1G P2 O2P Sm1 98.6(3) . . . . ?
N3P P3 O3P Sm1 24.8(3) . . . . ?
C1H P3 O3P Sm1 147.0(2) . . . . ?
C1K P3 O3P Sm1 -97.6(3) . . . . ?
N4P P4 O4P Sm1 36.6(3) . . . . ?
C1Q P4 O4P Sm1 -88.0(2) . . . . ?
C1M P4 O4P Sm1 156.7(2) . . . . ?
O1P P1 N1P C1N 23.4(4) . . . . ?
C1E P1 N1P C1N 144.6(4) . . . . ?
C1B P1 N1P C1N -101.9(4) . . . . ?
O2P P2 N2P C2N 28.7(4) . . . . ?
C1F P2 N2P C2N 149.5(3) . . . . ?
C1G P2 N2P C2N -99.1(3) . . . . ?
O3P P3 N3P C3N -5.8(5) . . . . ?
C1H P3 N3P C3N -129.1(4) . . . . ?
C1K P3 N3P C3N 118.4(4) . . . . ?
O4P P4 N4P C4N -5.0(5) . . . . ?
C1Q P4 N4P C4N 119.3(4) . . . . ?
C1M P4 N4P C4N -127.3(4) . . . . ?
Na2 O1C C1N N1P 84.7(5) . . . . ?
Sm1 O1C C1N N1P -39.8(6) . . . . ?
Na1 O1C C1N N1P -164.4(3) . . . . ?
Na2 O1C C1N C11 -94.0(4) . . . . ?
Sm1 O1C C1N C11 141.5(3) . . . . ?
Na1 O1C C1N C11 16.9(4) . . . . ?
P1 N1P C1N O1C 5.1(6) . . . . ?
P1 N1P C1N C11 -176.2(3) . . . . ?
Na1 O2C C2N N2P 86.5(5) . . . . ?
Na2 O2C C2N N2P -160.4(3) . . . . ?
Sm1 O2C C2N N2P -42.4(6) . . . . ?
Na1 O2C C2N C21 -94.7(4) . . . . ?
Na2 O2C C2N C21 18.4(4) . . . . ?
Sm1 O2C C2N C21 136.4(3) . . . . ?
P2 N2P C2N O2C 5.8(6) . . . . ?
P2 N2P C2N C21 -173.1(3) . . . . ?
Na2 O3C C3N N3P -171.9(4) . . . . ?
Sm1 O3C C3N N3P -17.7(7) . . . . ?
Na2 O3C C3N C31 9.9(5) . . . . ?
Sm1 O3C C3N C31 164.1(3) . . . . ?
P3 N3P C3N O3C 2.1(7) . . . . ?
P3 N3P C3N C31 -179.7(3) . . . . ?
Na1 O4C C4N N4P -178.5(4) . . . . ?
Sm1 O4C C4N N4P -2.9(7) . . . . ?
Na1 O4C C4N C41 2.0(5) . . . . ?
Sm1 O4C C4N C41 177.6(3) . . . . ?
P4 N4P C4N O4C -12.7(7) . . . . ?
P4 N4P C4N C41 166.9(3) . . . . ?
C14 N11 C11 C12 -0.2(6) . . . . ?
Na1 N11 C11 C12 176.8(3) . . . . ?
C14 N11 C11 C1N -179.8(4) . . . . ?
Na1 N11 C11 C1N -2.8(5) . . . . ?
O1C C1N C11 N11 -9.5(6) . . . . ?
N1P C1N C11 N11 171.6(4) . . . . ?
O1C C1N C11 C12 170.9(4) . . . . ?
N1P C1N C11 C12 -8.0(6) . . . . ?
C13 N12 C12 C11 -0.9(7) . . . . ?
N11 C11 C12 N12 1.0(7) . . . . ?
C1N C11 C12 N12 -179.4(4) . . . . ?
C12 N12 C13 C14 0.0(7) . . . . ?
C11 N11 C14 C13 -0.7(7) . . . . ?
Na1 N11 C14 C13 -177.4(4) . . . . ?
N12 C13 C14 N11 0.8(8) . . . . ?
C24 N21 C21 C22 -1.3(6) . . . . ?
Na2 N21 C21 C22 168.5(3) . . . . ?
C24 N21 C21 C2N -178.4(4) . . . . ?
Na2 N21 C21 C2N -8.7(5) . . . . ?
O2C C2N C21 N21 -6.8(5) . . . . ?
N2P C2N C21 N21 172.2(4) . . . . ?
O2C C2N C21 C22 176.0(4) . . . . ?
N2P C2N C21 C22 -5.0(6) . . . . ?
C23 N22 C22 C21 -0.5(7) . . . . ?
N21 C21 C22 N22 1.0(7) . . . . ?
C2N C21 C22 N22 178.1(4) . . . . ?
C22 N22 C23 C24 0.4(7) . . . . ?
C21 N21 C24 C23 1.1(6) . . . . ?
Na2 N21 C24 C23 -167.9(4) . . . . ?
N22 C23 C24 N21 -0.7(8) . . . . ?
C34 N31 C31 C32 2.6(6) . . . . ?
Na2 N31 C31 C32 -177.6(3) . . . . ?
C34 N31 C31 C3N -178.8(4) . . . . ?
Na2 N31 C31 C3N 0.9(5) . . . . ?
O3C C3N C31 N31 -6.5(6) . . . . ?
N3P C3N C31 N31 175.0(4) . . . . ?
O3C C3N C31 C32 172.0(4) . . . . ?
N3P C3N C31 C32 -6.5(6) . . . . ?
C33 N32 C32 C31 0.5(7) . . . . ?
N31 C31 C32 N32 -2.3(7) . . . . ?
C3N C31 C32 N32 179.2(4) . . . . ?
C32 N32 C33 C34 0.8(7) . . . . ?
C31 N31 C34 C33 -1.4(7) . . . . ?
Na2 N31 C34 C33 178.9(3) . . . . ?
N32 C33 C34 N31 -0.3(8) . . . . ?
C44 N41 C41 C42 -0.4(7) . . . . ?
Na1 N41 C41 C42 -173.1(3) . . . . ?
C44 N41 C41 C4N 176.0(4) . . . . ?
Na1 N41 C41 C4N 3.3(5) . . . . ?
O4C C4N C41 N41 -3.6(6) . . . . ?
N4P C4N C41 N41 176.9(4) . . . . ?
O4C C4N C41 C42 172.9(4) . . . . ?
N4P C4N C41 C42 -6.7(6) . . . . ?
C43 N42 C42 C41 -1.2(7) . . . . ?
N41 C41 C42 N42 1.4(7) . . . . ?
C4N C41 C42 N42 -174.9(4) . . . . ?
C42 N42 C43 C44 0.0(8) . . . . ?
C41 N41 C44 C43 -0.7(8) . . . . ?
Na1 N41 C44 C43 170.9(4) . . . . ?
N42 C43 C44 N41 0.9(9) . . . . ?
O1P P1 C1B C6B -129.2(4) . . . . ?
N1P P1 C1B C6B 0.2(4) . . . . ?
C1E P1 C1B C6B 112.1(4) . . . . ?
O1P P1 C1B C2B 47.5(4) . . . . ?
N1P P1 C1B C2B 176.9(3) . . . . ?
C1E P1 C1B C2B -71.2(4) . . . . ?
C6B C1B C2B C3B 0.0(7) . . . . ?
P1 C1B C2B C3B -176.8(4) . . . . ?
C1B C2B C3B C4B 0.6(7) . . . . ?
C2B C3B C4B C5B -0.9(8) . . . . ?
C3B C4B C5B C6B 0.7(8) . . . . ?
C2B C1B C6B C5B -0.2(7) . . . . ?
P1 C1B C6B C5B 176.4(4) . . . . ?
C4B C5B C6B C1B -0.1(8) . . . . ?
O1P P1 C1E C6E -153.9(4) . . . . ?
N1P P1 C1E C6E 79.3(5) . . . . ?
C1B P1 C1E C6E -34.0(5) . . . . ?
O1P P1 C1E C2E 30.8(4) . . . . ?
N1P P1 C1E C2E -95.9(4) . . . . ?
C1B P1 C1E C2E 150.7(4) . . . . ?
C6E C1E C2E C3E 0.1(7) . . . . ?
P1 C1E C2E C3E 175.5(4) . . . . ?
C1E C2E C3E C4E 1.5(8) . . . . ?
C2E C3E C4E C5E -1.3(9) . . . . ?
C3E C4E C5E C6E -0.5(9) . . . . ?
C2E C1E C6E C5E -2.0(8) . . . . ?
P1 C1E C6E C5E -177.1(4) . . . . ?
C4E C5E C6E C1E 2.2(8) . . . . ?
O2P P2 C1F C6F 167.6(4) . . . . ?
N2P P2 C1F C6F 40.3(4) . . . . ?
C1G P2 C1F C6F -72.5(4) . . . . ?
O2P P2 C1F C2F -16.1(4) . . . . ?
N2P P2 C1F C2F -143.4(4) . . . . ?
C1G P2 C1F C2F 103.8(4) . . . . ?
C6F C1F C2F C3F 0.2(7) . . . . ?
P2 C1F C2F C3F -176.2(3) . . . . ?
C1F C2F C3F C4F -0.5(7) . . . . ?
C2F C3F C4F C5F 0.9(7) . . . . ?
C3F C4F C5F C6F -1.0(7) . . . . ?
C4F C5F C6F C1F 0.8(7) . . . . ?
C2F C1F C6F C5F -0.3(7) . . . . ?
P2 C1F C6F C5F 175.9(4) . . . . ?
O2P P2 C1G C6G -143.6(4) . . . . ?
N2P P2 C1G C6G -11.9(5) . . . . ?
C1F P2 C1G C6G 98.6(4) . . . . ?
O2P P2 C1G C2G 36.8(4) . . . . ?
N2P P2 C1G C2G 168.5(4) . . . . ?
C1F P2 C1G C2G -80.9(4) . . . . ?
C6G C1G C2G C3G -0.3(7) . . . . ?
P2 C1G C2G C3G 179.2(4) . . . . ?
C1G C2G C3G C4G -0.4(7) . . . . ?
C2G C3G C4G C5G 0.8(8) . . . . ?
C3G C4G C5G C6G -0.7(9) . . . . ?
C2G C1G C6G C5G 0.5(8) . . . . ?
P2 C1G C6G C5G -179.0(4) . . . . ?
C4G C5G C6G C1G 0.0(9) . . . . ?
O3P P3 C1H C2H -166.7(4) . . . . ?
N3P P3 C1H C2H -36.7(5) . . . . ?
C1K P3 C1H C2H 75.6(5) . . . . ?
O3P P3 C1H C6H 16.4(4) . . . . ?
N3P P3 C1H C6H 146.4(4) . . . . ?
C1K P3 C1H C6H -101.3(4) . . . . ?
C6H C1H C2H C3H 2.3(8) . . . . ?
P3 C1H C2H C3H -174.6(4) . . . . ?
C1H C2H C3H C4H -1.0(9) . . . . ?
C2H C3H C4H C5H -0.9(9) . . . . ?
C3H C4H C5H C6H 1.4(8) . . . . ?
C4H C5H C6H C1H -0.1(7) . . . . ?
C2H C1H C6H C5H -1.7(7) . . . . ?
P3 C1H C6H C5H 175.3(4) . . . . ?
O3P P3 C1K C6K 0.4(5) . . . . ?
N3P P3 C1K C6K -129.9(4) . . . . ?
C1H P3 C1K C6K 117.5(4) . . . . ?
O3P P3 C1K C2K 178.8(4) . . . . ?
N3P P3 C1K C2K 48.5(5) . . . . ?
C1H P3 C1K C2K -64.1(5) . . . . ?
C6K C1K C2K C3K -2.8(8) . . . . ?
P3 C1K C2K C3K 178.8(4) . . . . ?
C1K C2K C3K C4K 1.2(9) . . . . ?
C2K C3K C4K C5K 1.2(10) . . . . ?
C3K C4K C5K C6K -2.0(10) . . . . ?
C4K C5K C6K C1K 0.3(9) . . . . ?
C2K C1K C6K C5K 2.0(8) . . . . ?
P3 C1K C6K C5K -179.5(4) . . . . ?
O4P P4 C1M C2M -126.5(4) . . . . ?
N4P P4 C1M C2M 1.9(5) . . . . ?
C1Q P4 C1M C2M 117.0(4) . . . . ?
O4P P4 C1M C6M 52.1(5) . . . . ?
N4P P4 C1M C6M -179.5(4) . . . . ?
C1Q P4 C1M C6M -64.4(5) . . . . ?
C6M C1M C2M C3M -0.4(8) . . . . ?
P4 C1M C2M C3M 178.2(4) . . . . ?
C1M C2M C3M C4M 0.7(9) . . . . ?
C2M C3M C4M C5M -0.2(10) . . . . ?
C3M C4M C5M C6M -0.5(10) . . . . ?
C4M C5M C6M C1M 0.8(10) . . . . ?
C2M C1M C6M C5M -0.4(8) . . . . ?
P4 C1M C6M C5M -179.0(5) . . . . ?
O4P P4 C1Q C6Q -16.8(4) . . . . ?
N4P P4 C1Q C6Q -147.2(3) . . . . ?
C1M P4 C1Q C6Q 100.4(4) . . . . ?
O4P P4 C1Q C2Q 163.8(4) . . . . ?
N4P P4 C1Q C2Q 33.4(4) . . . . ?
C1M P4 C1Q C2Q -79.1(4) . . . . ?
C6Q C1Q C2Q C3Q 0.0(7) . . . . ?
P4 C1Q C2Q C3Q 179.4(3) . . . . ?
C1Q C2Q C3Q C4Q -0.9(7) . . . . ?
C2Q C3Q C4Q C5Q 0.8(7) . . . . ?
C3Q C4Q C5Q C6Q 0.2(7) . . . . ?
C2Q C1Q C6Q C5Q 1.0(7) . . . . ?
P4 C1Q C6Q C5Q -178.5(4) . . . . ?
C4Q C5Q C6Q C1Q -1.1(7) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C1D H1D O3T 0.95 2.46 3.385(6) 164.9 2_667
C34 H34 O3T 0.95 2.49 3.380(6) 156.6 2_667
C44 H44 F1T 0.95 2.43 3.311(6) 153.4 .

_refine_diff_density_max         1.199
_refine_diff_density_min         -1.783
_refine_diff_density_rms         0.144


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: acetone, DMF'
