# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_EC30a
_database_code_depnum_ccdc_archive 'CCDC 2161730'
loop_
_audit_author_name
_audit_author_address
'Jan Klett'
;University of Mainz
Germany
;
_audit_update_record             
;
2022-03-24 deposited with the CCDC.	2022-09-15 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C51.50 H107 Na13 O11'
_chemical_formula_weight         1201.23

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'

_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+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   19.484(4)
_cell_length_b                   19.062(4)
_cell_length_c                   38.558(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     14321(5)
_cell_formula_units_Z            8
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    211653
_cell_measurement_theta_min      1.83
_cell_measurement_theta_max      29.32

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.114
_exptl_crystal_F_000             5176
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.65
_exptl_crystal_size_mid          0.587
_exptl_crystal_size_min          0.550
_exptl_absorpt_coefficient_mu    0.141
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3471
_exptl_absorpt_correction_T_max  0.9660
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'STOE STADIVARI'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            155515
_diffrn_reflns_av_unetI/netI     0.0336
_diffrn_reflns_av_R_equivalents  0.0299
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -52
_diffrn_reflns_limit_l_max       52
_diffrn_reflns_theta_min         2.090
_diffrn_reflns_theta_max         29.208
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.957
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.957
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.957
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             18586
_reflns_number_gt                13240
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.0544P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         18586
_refine_ls_number_parameters     782
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0439
_refine_ls_R_factor_gt           0.0312
_refine_ls_wR_factor_ref         0.0875
_refine_ls_wR_factor_gt          0.0844
_refine_ls_goodness_of_fit_ref   0.915
_refine_ls_restrained_S_all      0.915
_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
Na1 Na 0.35915(2) 0.43688(2) 0.09799(2) 0.02174(9) Uani 1 1 d . . . . .
Na2 Na 0.40765(2) 0.46151(2) 0.18271(2) 0.02175(9) Uani 1 1 d . . . . .
Na3 Na 0.55993(2) 0.40099(2) 0.19396(2) 0.02248(9) Uani 1 1 d . . . . .
Na4 Na 0.44002(2) 0.58455(2) 0.11475(2) 0.02401(10) Uani 1 1 d . . . . .
Na5 Na 0.48016(2) 0.32030(2) 0.05307(2) 0.02746(10) Uani 1 1 d . . . . .
Na6 Na 0.53659(2) 0.26337(2) 0.13435(2) 0.02685(10) Uani 1 1 d . . . . .
Na7 Na 0.54663(2) 0.56816(2) 0.16563(2) 0.02563(10) Uani 1 1 d . . . . .
Na8 Na 0.68628(2) 0.43334(2) 0.15383(2) 0.02682(10) Uani 1 1 d . . . . .
Na9 Na 0.63764(2) 0.34813(2) 0.09569(2) 0.02658(10) Uani 1 1 d . . . . .
Na10 Na 0.35653(2) 0.28610(2) 0.11566(2) 0.02821(10) Uani 1 1 d . . . . .
Na11 Na 0.62153(2) 0.52963(2) 0.08577(2) 0.03100(11) Uani 1 1 d . . . . .
Na12 Na 0.43519(2) 0.52762(2) 0.02613(2) 0.02814(10) Uani 1 1 d . . . . .
Na13 Na 0.40201(2) 0.31190(2) 0.18767(2) 0.03031(11) Uani 1 1 d . . . . .
O5 O 0.36742(4) 0.54470(4) 0.07229(2) 0.01887(15) Uani 1 1 d . . . . .
O8 O 0.63129(4) 0.32489(4) 0.15822(2) 0.02220(16) Uani 1 1 d . . . . .
O10 O 0.43026(4) 0.57614(4) 0.17301(2) 0.02072(15) Uani 1 1 d . . . . .
O2 O 0.33074(4) 0.38137(4) 0.15197(2) 0.02194(16) Uani 1 1 d . . . . .
O3 O 0.62675(4) 0.50029(4) 0.18997(2) 0.02245(16) Uani 1 1 d . . . . .
O4 O 0.36843(4) 0.33647(4) 0.06452(2) 0.02170(16) Uani 1 1 d . . . . .
O6 O 0.56670(4) 0.26309(4) 0.07751(2) 0.02169(16) Uani 1 1 d . . . . .
O7 O 0.55415(4) 0.61166(4) 0.11032(2) 0.02279(16) Uani 1 1 d . . . . .
O9 O 0.43087(4) 0.22864(4) 0.15002(2) 0.02436(16) Uani 1 1 d . . . . .
O1 O 0.45788(4) 0.38583(4) 0.22175(2) 0.02375(16) Uani 1 1 d . . . . .
C3 C 0.50810(5) 0.43491(5) 0.10231(3) 0.0197(2) Uani 1 1 d . . . . .
C100 C 0.40464(5) 0.62222(6) 0.19816(3) 0.0217(2) Uani 1 1 d . . . . .
C2 C 0.52387(5) 0.44474(5) 0.06732(3) 0.0197(2) Uani 1 1 d . . . . .
C20 C 0.26100(6) 0.38239(6) 0.16214(3) 0.0240(2) Uani 1 1 d . . . . .
C4 C 0.49537(6) 0.42551(6) 0.13332(3) 0.0268(2) Uani 1 1 d . . . . .
C70 C 0.57340(6) 0.67988(5) 0.10095(3) 0.0244(2) Uani 1 1 d . . . . .
C91 C 0.41151(6) 0.15896(6) 0.15681(3) 0.0277(2) Uani 1 1 d . . . . .
C30 C 0.67138(6) 0.53421(6) 0.21318(3) 0.0252(2) Uani 1 1 d . . . . .
C40 C 0.32922(5) 0.32803(6) 0.03432(3) 0.0221(2) Uani 1 1 d . . . . .
C54 C 0.33073(6) 0.63328(6) 0.03126(3) 0.0312(3) Uani 1 1 d . . . . .
H54A H 0.3745(4) 0.6575(4) 0.03454(9) 0.047 Uiso 1 1 calc R U . . .
H54B H 0.2946(4) 0.6678(4) 0.02696(13) 0.047 Uiso 1 1 calc R U . . .
H54C H 0.3342(4) 0.6015(3) 0.01142(16) 0.047 Uiso 1 1 calc R U . . .
C53 C 0.30200(6) 0.64286(6) 0.09380(3) 0.0304(3) Uani 1 1 d . . . . .
H53A H 0.3441(4) 0.6723(4) 0.09695(15) 0.046 Uiso 1 1 calc R U . . .
H53B H 0.2925(4) 0.6163(2) 0.11566(18) 0.046 Uiso 1 1 calc R U . . .
H53C H 0.2620(4) 0.6738(4) 0.08828(11) 0.046 Uiso 1 1 calc R U . . .
C80 C 0.67622(6) 0.27843(6) 0.17553(3) 0.0240(2) Uani 1 1 d . . . . .
C60 C 0.59277(6) 0.20894(5) 0.05663(3) 0.0230(2) Uani 1 1 d . . . . .
C71 C 0.64924(7) 0.68180(6) 0.09044(4) 0.0359(3) Uani 1 1 d . . . . .
H71A H 0.6781(3) 0.6639(5) 0.11005(19) 0.054 Uiso 1 1 calc R U . . .
H71B H 0.66281(19) 0.7312(4) 0.0849(2) 0.054 Uiso 1 1 calc R U . . .
H71C H 0.65640(13) 0.6515(5) 0.0695(2) 0.054 Uiso 1 1 calc R U . . .
C1 C 0.54057(6) 0.45072(6) 0.03658(3) 0.0242(2) Uani 1 1 d . . . . .
C43 C 0.34417(6) 0.25680(6) 0.01729(3) 0.0319(3) Uani 1 1 d . . . . .
H43A H 0.3146(4) 0.2507(2) -0.0025(2) 0.048 Uiso 1 1 calc R U . . .
H43B H 0.3358(4) 0.2198(3) 0.03378(15) 0.048 Uiso 1 1 calc R U . . .
H43C H 0.3914(4) 0.25528(19) 0.0099(2) 0.048 Uiso 1 1 calc R U . . .
C52 C 0.24678(6) 0.55066(6) 0.05748(4) 0.0320(3) Uani 1 1 d . . . . .
H52A H 0.2100(3) 0.5838(3) 0.0515(2) 0.048 Uiso 1 1 calc R U . . .
H52B H 0.2340(3) 0.5246(4) 0.07851(19) 0.048 Uiso 1 1 calc R U . . .
H52C H 0.25352(16) 0.5176(4) 0.0382(2) 0.048 Uiso 1 1 calc R U . . .
C42 C 0.25220(6) 0.33188(7) 0.04266(3) 0.0318(3) Uani 1 1 d . . . . .
H42A H 0.2253(2) 0.3270(5) 0.02085(17) 0.048 Uiso 1 1 calc R U . . .
H42B H 0.24163(13) 0.3779(4) 0.0537(2) 0.048 Uiso 1 1 calc R U . . .
H42C H 0.23978(15) 0.2933(4) 0.0589(2) 0.048 Uiso 1 1 calc R U . . .
C61 C 0.67077(6) 0.21567(7) 0.05348(4) 0.0385(3) Uani 1 1 d . . . . .
H61A H 0.6921(2) 0.2157(5) 0.0776(2) 0.058 Uiso 1 1 calc R U . . .
H61B H 0.68259(13) 0.2614(5) 0.0412(3) 0.058 Uiso 1 1 calc R U . . .
H61C H 0.68953(19) 0.1745(4) 0.0396(3) 0.058 Uiso 1 1 calc R U . . .
C51 C 0.31339(5) 0.59105(5) 0.06397(3) 0.0206(2) Uani 1 1 d . . . . .
C22 C 0.25400(7) 0.36329(8) 0.20057(3) 0.0404(3) Uani 1 1 d . . . . .
H22A H 0.2817(5) 0.3972(4) 0.21500(13) 0.061 Uiso 1 1 calc R U . . .
H22B H 0.2715(5) 0.3141(4) 0.20443(6) 0.061 Uiso 1 1 calc R U . . .
H22C H 0.2042(4) 0.3660(5) 0.20760(9) 0.061 Uiso 1 1 calc R U . . .
C41 C 0.34623(6) 0.38674(6) 0.00853(3) 0.0304(3) Uani 1 1 d . . . . .
H41A H 0.3189(4) 0.3810(3) -0.01213(19) 0.046 Uiso 1 1 calc R U . . .
H41B H 0.3943(4) 0.3846(3) 0.00254(18) 0.046 Uiso 1 1 calc R U . . .
H41C H 0.3363(4) 0.4316(4) 0.01896(12) 0.046 Uiso 1 1 calc R U . . .
C10 C 0.45269(6) 0.37205(6) 0.25746(3) 0.0281(2) Uani 1 1 d . . . . .
C31 C 0.66353(7) 0.61360(6) 0.21080(4) 0.0356(3) Uani 1 1 d . . . . .
H31A H 0.6167(4) 0.62706(14) 0.2181(2) 0.053 Uiso 1 1 calc R U . . .
H31B H 0.6714(5) 0.62887(15) 0.1866(2) 0.053 Uiso 1 1 calc R U . . .
H31C H 0.6975(4) 0.6364(2) 0.2262(2) 0.053 Uiso 1 1 calc R U . . .
C21 C 0.23011(7) 0.45482(7) 0.15633(4) 0.0411(3) Uani 1 1 d . . . . .
H21A H 0.2308(5) 0.4661(2) 0.1311(2) 0.062 Uiso 1 1 calc R U . . .
H21B H 0.2575(4) 0.4905(3) 0.1692(2) 0.062 Uiso 1 1 calc R U . . .
H21C H 0.1818(5) 0.45533(17) 0.1649(3) 0.062 Uiso 1 1 calc R U . . .
C11 C 0.52296(8) 0.36240(9) 0.27373(4) 0.0523(4) Uani 1 1 d . . . . .
H11A H 0.51771(9) 0.3509(6) 0.2982(3) 0.078 Uiso 1 1 calc R U . . .
H11B H 0.5492(4) 0.4057(5) 0.2714(3) 0.078 Uiso 1 1 calc R U . . .
H11C H 0.5471(3) 0.3244(6) 0.2620(2) 0.078 Uiso 1 1 calc R U . . .
O11 O 0.70069(4) 0.44710(4) 0.09737(2) 0.02259(16) Uani 1 1 d . . . . .
C110 C 0.76520(5) 0.45338(6) 0.08148(3) 0.0234(2) Uani 1 1 d . . . . .
C112 C 0.78593(7) 0.38369(7) 0.06476(4) 0.0433(3) Uani 1 1 d . . . . .
H11D H 0.7520(4) 0.3709(3) 0.0466(2) 0.065 Uiso 1 1 calc R U . . .
H11E H 0.7872(5) 0.3464(4) 0.08275(17) 0.065 Uiso 1 1 calc R U . . .
H11F H 0.8321(5) 0.38850(18) 0.0541(3) 0.065 Uiso 1 1 calc R U . . .
C111 C 0.81942(7) 0.47440(8) 0.10820(4) 0.0439(3) Uani 1 1 d . . . . .
H11G H 0.8235(4) 0.4371(4) 0.1260(2) 0.066 Uiso 1 1 calc R U . . .
H11H H 0.8057(3) 0.5189(5) 0.1195(2) 0.066 Uiso 1 1 calc R U . . .
H11I H 0.8642(4) 0.4808(5) 0.09647(11) 0.066 Uiso 1 1 calc R U . . .
C102 C 0.38269(8) 0.69169(7) 0.18211(4) 0.0432(3) Uani 1 1 d . . . . .
H10A H 0.4212(4) 0.7129(3) 0.1708(3) 0.065 Uiso 1 1 calc R U . . .
H10B H 0.3661(5) 0.7223(4) 0.19993(17) 0.065 Uiso 1 1 calc R U . . .
H10C H 0.3470(5) 0.68348(11) 0.1655(2) 0.065 Uiso 1 1 calc R U . . .
C94 C 0.39018(8) 0.12283(8) 0.12307(4) 0.0488(4) Uani 1 1 d . . . . .
H94A H 0.3798(5) 0.0718(5) 0.12783(8) 0.073 Uiso 1 1 calc R U . . .
H94B H 0.4288(4) 0.1263(5) 0.10567(19) 0.073 Uiso 1 1 calc R U . . .
H94C H 0.3479(5) 0.1465(4) 0.11343(18) 0.073 Uiso 1 1 calc R U . . .
C63 C 0.57542(7) 0.13763(6) 0.07200(4) 0.0413(3) Uani 1 1 d . . . . .
H63A H 0.5935(5) 0.1008(3) 0.05704(19) 0.062 Uiso 1 1 calc R U . . .
H63B H 0.5258(4) 0.1328(2) 0.0738(3) 0.062 Uiso 1 1 calc R U . . .
H63C H 0.5959(5) 0.1336(2) 0.0950(2) 0.062 Uiso 1 1 calc R U . . .
C93 C 0.47090(8) 0.11821(7) 0.17244(5) 0.0544(4) Uani 1 1 d . . . . .
H93A H 0.4561(2) 0.0682(5) 0.1770(3) 0.082 Uiso 1 1 calc R U . . .
H93B H 0.4852(4) 0.1409(4) 0.1950(3) 0.082 Uiso 1 1 calc R U . . .
H93C H 0.5109(5) 0.1184(5) 0.1558(2) 0.082 Uiso 1 1 calc R U . . .
C23 C 0.21931(7) 0.32920(8) 0.14108(4) 0.0414(3) Uani 1 1 d . . . . .
H23A H 0.2229(4) 0.3406(3) 0.1159(2) 0.062 Uiso 1 1 calc R U . . .
H23B H 0.1702(4) 0.3312(4) 0.1484(2) 0.062 Uiso 1 1 calc R U . . .
H23C H 0.2376(4) 0.2811(4) 0.1453(2) 0.062 Uiso 1 1 calc R U . . .
C73 C 0.53016(8) 0.70469(7) 0.07007(4) 0.0463(4) Uani 1 1 d . . . . .
H73A H 0.5472(4) 0.7517(5) 0.06200(19) 0.069 Uiso 1 1 calc R U . . .
H73B H 0.4807(5) 0.7088(5) 0.07735(10) 0.069 Uiso 1 1 calc R U . . .
H73C H 0.5341(4) 0.6698(4) 0.0506(2) 0.069 Uiso 1 1 calc R U . . .
C72 C 0.56375(7) 0.73044(7) 0.13150(4) 0.0425(3) Uani 1 1 d . . . . .
H72A H 0.5775(5) 0.7788(4) 0.12430(11) 0.064 Uiso 1 1 calc R U . . .
H72B H 0.5929(5) 0.7149(3) 0.1514(2) 0.064 Uiso 1 1 calc R U . . .
H72C H 0.5145(4) 0.7306(4) 0.13872(19) 0.064 Uiso 1 1 calc R U . . .
C62 C 0.56263(7) 0.21329(7) 0.01988(4) 0.0403(3) Uani 1 1 d . . . . .
H62A H 0.5133(4) 0.2052(5) 0.02084(5) 0.060 Uiso 1 1 calc R U . . .
H62B H 0.5840(4) 0.1778(5) 0.00524(15) 0.060 Uiso 1 1 calc R U . . .
H62C H 0.5715(4) 0.2597(4) 0.01023(13) 0.060 Uiso 1 1 calc R U . . .
C92 C 0.34999(9) 0.15742(8) 0.18133(5) 0.0594(5) Uani 1 1 d . . . . .
H92A H 0.3641(2) 0.1779(6) 0.2051(3) 0.089 Uiso 1 1 calc R U . . .
H92B H 0.3337(4) 0.1063(5) 0.1845(3) 0.089 Uiso 1 1 calc R U . . .
H92C H 0.3106(5) 0.1870(6) 0.17098(18) 0.089 Uiso 1 1 calc R U . . .
C32 C 0.74623(7) 0.51647(9) 0.20455(5) 0.0539(5) Uani 1 1 d . . . . .
H32A H 0.75403(19) 0.4637(5) 0.2075(3) 0.081 Uiso 1 1 calc R U . . .
H32B H 0.7781(3) 0.5434(5) 0.2209(3) 0.081 Uiso 1 1 calc R U . . .
H32C H 0.7565(2) 0.5305(6) 0.1795(3) 0.081 Uiso 1 1 calc R U . . .
C101 C 0.45994(9) 0.63768(10) 0.22512(5) 0.0645(6) Uani 1 1 d . . . . .
H10D H 0.4769(5) 0.5909(5) 0.2360(3) 0.097 Uiso 1 1 calc R U . . .
H10E H 0.4397(3) 0.6695(6) 0.2444(3) 0.097 Uiso 1 1 calc R U . . .
H10F H 0.5009(5) 0.6631(6) 0.21329(14) 0.097 Uiso 1 1 calc R U . . .
C12 C 0.41222(9) 0.30399(10) 0.26344(4) 0.0616(5) Uani 1 1 d . . . . .
H12A H 0.3645(5) 0.3095(3) 0.2540(3) 0.092 Uiso 1 1 calc R U . . .
H12B H 0.4099(6) 0.2938(4) 0.2890(3) 0.092 Uiso 1 1 calc R U . . .
H12C H 0.4358(4) 0.2642(4) 0.2512(3) 0.092 Uiso 1 1 calc R U . . .
C113 C 0.76263(7) 0.50910(7) 0.05296(3) 0.0342(3) Uani 1 1 d . . . . .
H11J H 0.7259(4) 0.4972(3) 0.03619(19) 0.051 Uiso 1 1 calc R U . . .
H11K H 0.8074(4) 0.5107(3) 0.04077(18) 0.051 Uiso 1 1 calc R U . . .
H11L H 0.7529(5) 0.5556(4) 0.06344(9) 0.051 Uiso 1 1 calc R U . . .
C33 C 0.65620(9) 0.51131(8) 0.25016(4) 0.0475(4) Uani 1 1 d . . . . .
H33A H 0.6892(5) 0.5343(5) 0.26629(15) 0.071 Uiso 1 1 calc R U . . .
H33B H 0.6610(5) 0.4594(5) 0.25198(8) 0.071 Uiso 1 1 calc R U . . .
H33C H 0.6085(5) 0.5252(5) 0.25644(12) 0.071 Uiso 1 1 calc R U . . .
C83 C 0.65920(9) 0.20256(7) 0.16717(6) 0.0670(6) Uani 1 1 d . . . . .
H83A H 0.6097(6) 0.1917(2) 0.1750(3) 0.100 Uiso 1 1 calc R U . . .
H83B H 0.6928(6) 0.1700(4) 0.1800(3) 0.100 Uiso 1 1 calc R U . . .
H83C H 0.6635(7) 0.1945(2) 0.1408(3) 0.100 Uiso 1 1 calc R U . . .
C103 C 0.34232(8) 0.59127(8) 0.21606(5) 0.0555(5) Uani 1 1 d . . . . .
H10G H 0.35564(19) 0.5478(6) 0.2283(3) 0.083 Uiso 1 1 calc R U . . .
H10H H 0.3067(4) 0.5804(6) 0.19859(18) 0.083 Uiso 1 1 calc R U . . .
H10I H 0.3239(4) 0.6255(4) 0.2329(3) 0.083 Uiso 1 1 calc R U . . .
C82 C 0.75038(7) 0.29165(9) 0.16479(5) 0.0572(5) Uani 1 1 d . . . . .
H82A H 0.7651(3) 0.3434(5) 0.1723(3) 0.086 Uiso 1 1 calc R U . . .
H82B H 0.75496(15) 0.2864(6) 0.1373(3) 0.086 Uiso 1 1 calc R U . . .
H82C H 0.7831(3) 0.2544(5) 0.1772(3) 0.086 Uiso 1 1 calc R U . . .
C81 C 0.67146(10) 0.28798(10) 0.21445(4) 0.0663(6) Uani 1 1 d . . . . .
H81A H 0.7046(6) 0.2554(6) 0.22619(13) 0.099 Uiso 1 1 calc R U . . .
H81B H 0.6236(5) 0.2771(7) 0.22237(10) 0.099 Uiso 1 1 calc R U . . .
H81C H 0.6830(6) 0.3378(5) 0.22058(8) 0.099 Uiso 1 1 calc R U . . .
C13 C 0.41587(13) 0.43162(11) 0.27558(4) 0.0849(8) Uani 1 1 d . . . . .
H13A H 0.4087(8) 0.4196(4) 0.2995(3) 0.127 Uiso 1 1 calc R U . . .
H13B H 0.3723(7) 0.4396(6) 0.2646(3) 0.127 Uiso 1 1 calc R U . . .
H13C H 0.4432(5) 0.4735(6) 0.2741(4) 0.127 Uiso 1 1 calc R U . . .
C201 C 0.4628(6) -0.0875(5) 0.0966(4) 0.186(6) Uani 0.5 1 d . . P A -1
H20A H 0.422(2) -0.091(3) 0.1141(14) 0.279 Uiso 0.5 1 calc R U P A -1
H20B H 0.503(4) -0.059(2) 0.1078(12) 0.279 Uiso 0.5 1 calc R U P A -1
H20C H 0.480(4) -0.138(3) 0.0906(5) 0.279 Uiso 0.5 1 calc R U P A -1
C202 C 0.4365(3) -0.0466(4) 0.0599(3) 0.121(4) Uani 0.5 1 d . . P A -1
H20G H 0.3990 -0.0737 0.0502 0.145 Uiso 0.5 1 calc R U P A -1
H20H H 0.4180 -0.0013 0.0664 0.145 Uiso 0.5 1 calc R U P A -1
C203 C 0.4900(5) -0.0346(4) 0.0307(4) 0.111(5) Uani 0.5 1 d . . P A -1
H20I H 0.5315 -0.0178 0.0419 0.133 Uiso 0.5 1 calc R U P A -1
H20J H 0.5008 -0.0803 0.0212 0.133 Uiso 0.5 1 calc R U P A -1
C204 C 0.4782(5) 0.0083(6) 0.0036(4) 0.132(7) Uani 0.5 1 d . . P A -1
H20K H 0.4668 0.0544 0.0126 0.159 Uiso 0.5 1 calc R U P A -1
H20L H 0.4379 -0.0089 -0.0085 0.159 Uiso 0.5 1 calc R U P A -1
C205 C 0.5403(10) 0.0179(10) -0.0251(6) 0.213(14) Uani 0.5 1 d . . P A -1
H20M H 0.5805 0.0382 -0.0141 0.256 Uiso 0.5 1 calc R U P A -1
H20N H 0.5528 -0.0272 -0.0348 0.256 Uiso 0.5 1 calc R U P A -1
C206 C 0.5134(4) 0.0662(5) -0.0531(3) 0.137(4) Uani 0.5 1 d . . P A -1
H20O H 0.4767 0.0433 -0.0658 0.164 Uiso 0.5 1 calc R U P A -1
H20P H 0.4951 0.1087 -0.0428 0.164 Uiso 0.5 1 calc R U P A -1
C207 C 0.5707(4) 0.0843(6) -0.0774(3) 0.114(3) Uani 0.5 1 d . . P A -1
H20D H 0.5593(13) 0.124(2) -0.0899(11) 0.171 Uiso 0.5 1 calc R U P A -1
H20E H 0.5780(19) 0.047(2) -0.0926(11) 0.171 Uiso 0.5 1 calc R U P A -1
H20F H 0.610(2) 0.093(3) -0.0648(6) 0.171 Uiso 0.5 1 calc R U P A -1


_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
Na1 O5 2.2873(9) . ?
Na1 O4 2.3156(9) . ?
Na1 O2 2.3998(9) . ?
Na1 C3 2.9072(12) . ?
Na1 Na10 2.9543(8) . ?
Na1 C4 2.9912(13) . ?
Na1 Na4 3.2901(8) . ?
Na1 Na2 3.4329(9) . ?
Na1 Na12 3.5866(8) . ?
Na1 Na5 3.6739(7) . ?
Na2 O10 2.2603(9) . ?
Na2 O1 2.3033(9) . ?
Na2 O2 2.4462(9) . ?
Na2 C4 2.6493(13) . ?
Na2 Na13 2.8604(8) . ?
Na2 C103 3.0648(15) . ?
Na2 C100 3.1215(13) . ?
Na2 Na3 3.2128(8) . ?
Na2 Na7 3.4496(8) . ?
Na2 Na4 3.5729(8) . ?
Na3 O1 2.2771(9) . ?
Na3 O3 2.3024(9) . ?
Na3 O8 2.4366(9) . ?
Na3 C4 2.6959(13) . ?
Na3 Na8 2.9722(8) . ?
Na3 Na7 3.3787(9) . ?
Na3 Na6 3.5172(8) . ?
Na3 Na13 3.5229(8) . ?
Na3 Na9 4.2031(9) . ?
Na4 O10 2.2600(10) . ?
Na4 O7 2.2893(9) . ?
Na4 O5 2.2930(9) . ?
Na4 Na7 2.8740(7) . ?
Na4 C53 3.0199(13) . ?
Na4 Na12 3.5864(9) . ?
Na4 Na11 3.8538(9) . ?
Na5 O6 2.2182(9) . ?
Na5 O4 2.2425(9) . ?
Na5 C2 2.5797(12) . ?
Na5 C1 2.8233(13) . ?
Na5 C62 2.8949(14) . ?
Na5 C3 2.9451(12) . ?
Na5 C40 3.0320(13) . ?
Na5 C60 3.0559(12) . ?
Na5 Na10 3.4715(8) . ?
Na5 Na6 3.4941(9) . ?
Na5 Na9 3.5208(8) . ?
Na6 O9 2.2463(9) . ?
Na6 O6 2.2690(10) . ?
Na6 O8 2.3720(9) . ?
Na6 C83 2.9416(16) . ?
Na6 Na9 2.9512(7) . ?
Na6 Na13 3.4580(8) . ?
Na6 Na10 3.6076(9) . ?
Na7 O3 2.2343(9) . ?
Na7 O10 2.2901(9) . ?
Na7 O7 2.2928(10) . ?
Na7 C31 2.9954(14) . ?
Na7 C30 3.1126(12) . ?
Na7 Na11 3.4859(9) . ?
Na7 Na8 3.7704(8) . ?
Na8 O11 2.2108(10) . ?
Na8 O3 2.2172(9) . ?
Na8 O8 2.3345(9) . ?
Na8 C32 2.7748(15) . ?
Na8 Na9 2.9263(7) . ?
Na8 C30 3.0028(13) . ?
Na8 C82 3.0055(17) . ?
Na8 C80 3.0753(13) . ?
Na8 Na11 3.4422(8) . ?
Na9 O6 2.2426(9) . ?
Na9 O11 2.2523(9) . ?
Na9 O8 2.4545(10) . ?
Na9 C3 3.0285(12) . ?
Na9 C61 3.0724(14) . ?
Na9 C2 3.0825(12) . ?
Na9 Na11 3.4950(9) . ?
Na10 O4 2.2056(9) . ?
Na10 O9 2.2478(9) . ?
Na10 O2 2.3475(9) . ?
Na10 Na13 2.9557(8) . ?
Na10 C23 2.9638(15) . ?
Na10 C91 3.0885(13) . ?
Na11 O11 2.2481(9) . ?
Na11 O7 2.2506(9) . ?
Na11 C2 2.5971(12) . ?
Na11 C1 2.8891(13) . ?
Na11 C3 2.9243(12) . ?
Na11 C71 2.9561(14) . ?
Na11 C113 3.0515(15) . ?
Na11 C70 3.0702(13) . ?
Na12 O5 2.2400(9) . ?
Na12 C1 2.4982(13) 5_665 ?
Na12 C1 2.5549(12) . ?
Na12 C2 2.8290(12) . ?
Na12 C54 2.8703(13) . ?
Na12 C51 3.0368(12) . ?
Na12 Na12 3.3983(10) 5_665 ?
Na13 O1 2.2132(9) . ?
Na13 O9 2.2234(9) . ?
Na13 O2 2.3614(9) . ?
Na13 C12 2.9320(18) . ?
Na13 C22 3.0860(15) . ?
Na13 C10 3.0873(14) . ?
Na13 C92 3.1240(17) . ?
O5 C51 1.4114(12) . ?
O8 C80 1.4128(13) . ?
O10 C100 1.4005(13) . ?
O2 C20 1.4143(13) . ?
O3 C30 1.4053(13) . ?
O4 C40 1.4018(13) . ?
O6 C60 1.4041(13) . ?
O7 C70 1.4009(12) . ?
O9 C91 1.4053(13) . ?
O1 C10 1.4054(13) . ?
C3 C4 1.2343(16) . ?
C3 C2 1.3964(15) . ?
C100 C103 1.5161(17) . ?
C100 C102 1.5230(16) . ?
C100 C101 1.5259(18) . ?
C2 C1 1.2341(16) . ?
C20 C21 1.5228(16) . ?
C20 C23 1.5321(17) . ?
C20 C22 1.5321(17) . ?
C70 C71 1.5327(16) . ?
C70 C73 1.5334(18) . ?
C70 C72 1.5335(17) . ?
C91 C93 1.5185(18) . ?
C91 C92 1.5269(19) . ?
C91 C94 1.5297(19) . ?
C30 C33 1.5203(19) . ?
C30 C31 1.5238(16) . ?
C30 C32 1.5337(17) . ?
C40 C41 1.5333(16) . ?
C40 C43 1.5362(16) . ?
C40 C42 1.5366(16) . ?
C54 C51 1.5339(16) . ?
C53 C51 1.5324(15) . ?
C80 C81 1.5146(19) . ?
C80 C83 1.5184(18) . ?
C80 C82 1.5240(18) . ?
C60 C63 1.5210(16) . ?
C60 C61 1.5301(16) . ?
C60 C62 1.5362(17) . ?
C1 Na12 2.4982(13) 5_665 ?
C52 C51 1.5296(16) . ?
C10 C13 1.5139(19) . ?
C10 C11 1.5172(18) . ?
C10 C12 1.536(2) . ?
O11 C110 1.4034(13) . ?
C110 C111 1.5288(17) . ?
C110 C113 1.5298(16) . ?
C110 C112 1.5310(16) . ?
C201 C202 1.696(18) . ?
C202 C203 1.552(17) . ?
C203 C204 1.348(19) . ?
C204 C205 1.65(2) . ?
C205 C206 1.52(3) . ?
C206 C207 1.498(16) . ?

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
O5 Na1 O4 119.73(3) . . ?
O5 Na1 O2 142.02(3) . . ?
O4 Na1 O2 97.87(3) . . ?
O5 Na1 C3 88.05(3) . . ?
O4 Na1 C3 86.75(3) . . ?
O2 Na1 C3 100.07(3) . . ?
O5 Na1 Na10 167.25(3) . . ?
O4 Na1 Na10 47.60(2) . . ?
O2 Na1 Na10 50.72(2) . . ?
C3 Na1 Na10 89.51(2) . . ?
O5 Na1 C4 101.53(3) . . ?
O4 Na1 C4 97.16(3) . . ?
O2 Na1 C4 77.15(3) . . ?
C3 Na1 C4 24.10(3) . . ?
Na10 Na1 C4 80.78(3) . . ?
O5 Na1 Na4 44.15(2) . . ?
O4 Na1 Na4 141.20(3) . . ?
O2 Na1 Na4 108.50(3) . . ?
C3 Na1 Na4 61.42(2) . . ?
Na10 Na1 Na4 142.68(2) . . ?
C4 Na1 Na4 63.10(3) . . ?
O5 Na1 Na2 105.66(3) . . ?
O4 Na1 Na2 128.45(3) . . ?
O2 Na1 Na2 45.44(2) . . ?
C3 Na1 Na2 70.88(2) . . ?
Na10 Na1 Na2 85.313(16) . . ?
C4 Na1 Na2 48.11(2) . . ?
Na4 Na1 Na2 64.164(13) . . ?
O5 Na1 Na12 37.15(2) . . ?
O4 Na1 Na12 86.32(3) . . ?
O2 Na1 Na12 167.96(3) . . ?
C3 Na1 Na12 68.78(2) . . ?
Na10 Na1 Na12 130.882(18) . . ?
C4 Na1 Na12 91.16(3) . . ?
Na4 Na1 Na12 62.697(16) . . ?
Na2 Na1 Na12 123.741(19) . . ?
O5 Na1 Na5 107.11(3) . . ?
O4 Na1 Na5 35.62(2) . . ?
O2 Na1 Na5 106.87(2) . . ?
C3 Na1 Na5 51.58(2) . . ?
Na10 Na1 Na5 62.050(16) . . ?
C4 Na1 Na5 66.51(3) . . ?
Na4 Na1 Na5 107.624(19) . . ?
Na2 Na1 Na5 110.770(17) . . ?
Na12 Na1 Na5 70.272(17) . . ?
O10 Na2 O1 129.11(3) . . ?
O10 Na2 O2 130.01(3) . . ?
O1 Na2 O2 100.71(3) . . ?
O10 Na2 C4 90.33(3) . . ?
O1 Na2 C4 91.92(4) . . ?
O2 Na2 C4 83.41(4) . . ?
O10 Na2 Na13 169.25(3) . . ?
O1 Na2 Na13 49.32(2) . . ?
O2 Na2 Na13 52.14(2) . . ?
C4 Na2 Na13 79.32(3) . . ?
O10 Na2 C103 50.96(3) . . ?
O1 Na2 C103 114.07(5) . . ?
O2 Na2 C103 116.93(4) . . ?
C4 Na2 C103 141.13(4) . . ?
Na13 Na2 C103 139.53(3) . . ?
O10 Na2 C100 24.00(3) . . ?
O1 Na2 C100 119.86(3) . . ?
O2 Na2 C100 133.94(3) . . ?
C4 Na2 C100 113.80(4) . . ?
Na13 Na2 C100 164.80(3) . . ?
C103 Na2 C100 28.35(3) . . ?
O10 Na2 Na3 100.92(3) . . ?
O1 Na2 Na3 45.13(2) . . ?
O2 Na2 Na3 114.01(3) . . ?
C4 Na2 Na3 53.72(3) . . ?
Na13 Na2 Na3 70.640(16) . . ?
C103 Na2 Na3 128.08(4) . . ?
C100 Na2 Na3 110.12(2) . . ?
O10 Na2 Na1 91.63(2) . . ?
O1 Na2 Na1 130.79(3) . . ?
O2 Na2 Na1 44.35(2) . . ?
C4 Na2 Na1 57.19(3) . . ?
Na13 Na2 Na1 85.224(16) . . ?
C103 Na2 Na1 113.28(4) . . ?
C100 Na2 Na1 108.10(2) . . ?
Na3 Na2 Na1 109.487(16) . . ?
O10 Na2 Na7 41.03(2) . . ?
O1 Na2 Na7 99.23(3) . . ?
O2 Na2 Na7 139.15(3) . . ?
C4 Na2 Na7 60.59(3) . . ?
Na13 Na2 Na7 129.093(19) . . ?
C103 Na2 Na7 86.01(3) . . ?
C100 Na2 Na7 58.18(2) . . ?
Na3 Na2 Na7 60.822(18) . . ?
Na1 Na2 Na7 96.604(16) . . ?
O10 Na2 Na4 37.77(2) . . ?
O1 Na2 Na4 144.63(3) . . ?
O2 Na2 Na4 99.37(3) . . ?
C4 Na2 Na4 61.90(3) . . ?
Na13 Na2 Na4 135.26(2) . . ?
C103 Na2 Na4 81.44(4) . . ?
C100 Na2 Na4 59.94(2) . . ?
Na3 Na2 Na4 99.885(17) . . ?
Na1 Na2 Na4 55.977(15) . . ?
Na7 Na2 Na4 48.278(12) . . ?
O1 Na3 O3 129.01(3) . . ?
O1 Na3 O8 133.54(3) . . ?
O3 Na3 O8 97.41(3) . . ?
O1 Na3 C4 91.30(4) . . ?
O3 Na3 C4 93.64(4) . . ?
O8 Na3 C4 83.05(3) . . ?
O1 Na3 Na8 173.99(3) . . ?
O3 Na3 Na8 47.65(2) . . ?
O8 Na3 Na8 49.94(2) . . ?
C4 Na3 Na8 84.21(3) . . ?
O1 Na3 Na2 45.79(2) . . ?
O3 Na3 Na2 102.59(3) . . ?
O8 Na3 Na2 131.64(3) . . ?
C4 Na3 Na2 52.39(3) . . ?
Na8 Na3 Na2 128.33(2) . . ?
O1 Na3 Na7 101.82(2) . . ?
O3 Na3 Na7 41.10(2) . . ?
O8 Na3 Na7 114.99(3) . . ?
C4 Na3 Na7 61.33(3) . . ?
Na8 Na3 Na7 72.517(15) . . ?
Na2 Na3 Na7 63.054(13) . . ?
O1 Na3 Na6 95.74(3) . . ?
O3 Na3 Na6 129.99(3) . . ?
O8 Na3 Na6 42.28(2) . . ?
C4 Na3 Na6 60.15(3) . . ?
Na8 Na3 Na6 85.509(18) . . ?
Na2 Na3 Na6 93.449(17) . . ?
Na7 Na3 Na6 118.83(2) . . ?
O1 Na3 Na13 37.68(2) . . ?
O3 Na3 Na13 152.32(3) . . ?
O8 Na3 Na13 99.93(3) . . ?
C4 Na3 Na13 67.44(3) . . ?
Na8 Na3 Na13 141.96(2) . . ?
Na2 Na3 Na13 49.998(17) . . ?
Na7 Na3 Na13 111.433(17) . . ?
Na6 Na3 Na13 58.838(13) . . ?
O1 Na3 Na9 135.10(3) . . ?
O3 Na3 Na9 86.17(2) . . ?
O8 Na3 Na9 30.885(19) . . ?
C4 Na3 Na9 55.09(3) . . ?
Na8 Na3 Na9 44.119(12) . . ?
Na2 Na3 Na9 107.280(17) . . ?
Na7 Na3 Na9 87.839(16) . . ?
Na6 Na3 Na9 43.835(12) . . ?
Na13 Na3 Na9 97.875(15) . . ?
O10 Na4 O7 99.90(3) . . ?
O10 Na4 O5 129.36(3) . . ?
O7 Na4 O5 128.36(3) . . ?
O10 Na4 Na7 51.30(2) . . ?
O7 Na4 Na7 51.21(2) . . ?
O5 Na4 Na7 153.78(3) . . ?
O10 Na4 C53 102.53(3) . . ?
O7 Na4 C53 139.63(4) . . ?
O5 Na4 C53 51.80(3) . . ?
Na7 Na4 C53 150.01(3) . . ?
O10 Na4 Na1 95.41(2) . . ?
O7 Na4 Na1 130.07(3) . . ?
O5 Na4 Na1 44.02(2) . . ?
Na7 Na4 Na1 112.78(2) . . ?
C53 Na4 Na1 80.55(3) . . ?
O10 Na4 Na2 37.78(2) . . ?
O7 Na4 Na2 111.99(2) . . ?
O5 Na4 Na2 101.38(3) . . ?
Na7 Na4 Na2 63.619(17) . . ?
C53 Na4 Na2 106.29(3) . . ?
Na1 Na4 Na2 59.859(16) . . ?
O10 Na4 Na12 157.41(3) . . ?
O7 Na4 Na12 91.30(2) . . ?
O5 Na4 Na12 37.19(2) . . ?
Na7 Na4 Na12 129.525(19) . . ?
C53 Na4 Na12 80.40(3) . . ?
Na1 Na4 Na12 62.700(13) . . ?
Na2 Na4 Na12 119.70(2) . . ?
O10 Na4 Na11 110.25(2) . . ?
O7 Na4 Na11 31.60(2) . . ?
O5 Na4 Na11 105.61(3) . . ?
Na7 Na4 Na11 60.344(18) . . ?
C53 Na4 Na11 147.10(3) . . ?
Na1 Na4 Na11 98.634(18) . . ?
Na2 Na4 Na11 101.323(16) . . ?
Na12 Na4 Na11 70.465(14) . . ?
O6 Na5 O4 136.22(4) . . ?
O6 Na5 C2 96.35(4) . . ?
O4 Na5 C2 98.75(3) . . ?
O6 Na5 C1 102.22(3) . . ?
O4 Na5 C1 109.15(3) . . ?
C2 Na5 C1 25.91(3) . . ?
O6 Na5 C62 54.51(3) . . ?
O4 Na5 C62 136.28(4) . . ?
C2 Na5 C62 123.97(4) . . ?
C1 Na5 C62 106.83(4) . . ?
O6 Na5 C3 87.16(3) . . ?
O4 Na5 C3 87.17(3) . . ?
C2 Na5 C3 28.30(3) . . ?
C1 Na5 C3 54.18(3) . . ?
C62 Na5 C3 134.84(4) . . ?
O6 Na5 C40 149.60(3) . . ?
O4 Na5 C40 25.67(3) . . ?
C2 Na5 C40 109.04(3) . . ?
C1 Na5 C40 107.93(3) . . ?
C62 Na5 C40 117.85(4) . . ?
C3 Na5 C40 107.27(3) . . ?
O6 Na5 C60 25.00(3) . . ?
O4 Na5 C60 141.60(3) . . ?
C2 Na5 C60 113.09(4) . . ?
C1 Na5 C60 108.81(4) . . ?
C62 Na5 C60 29.76(3) . . ?
C3 Na5 C60 110.71(3) . . ?
C40 Na5 C60 137.81(3) . . ?
O6 Na5 Na10 98.04(3) . . ?
O4 Na5 Na10 38.32(2) . . ?
C2 Na5 Na10 104.70(3) . . ?
C1 Na5 Na10 127.68(3) . . ?
C62 Na5 Na10 124.07(4) . . ?
C3 Na5 Na10 79.60(3) . . ?
C40 Na5 Na10 60.13(3) . . ?
C60 Na5 Na10 109.67(3) . . ?
O6 Na5 Na6 39.39(2) . . ?
O4 Na5 Na6 99.88(3) . . ?
C2 Na5 Na6 89.47(3) . . ?
C1 Na5 Na6 110.14(3) . . ?
C62 Na5 Na6 90.18(3) . . ?
C3 Na5 Na6 66.05(3) . . ?
C40 Na5 Na6 122.29(3) . . ?
C60 Na5 Na6 61.19(2) . . ?
Na10 Na5 Na6 62.384(18) . . ?
O6 Na5 Na9 38.13(2) . . ?
O4 Na5 Na9 137.18(3) . . ?
C2 Na5 Na9 58.29(3) . . ?
C1 Na5 Na9 66.99(3) . . ?
C62 Na5 Na9 80.14(3) . . ?
C3 Na5 Na9 54.99(2) . . ?
C40 Na5 Na9 161.67(3) . . ?
C60 Na5 Na9 57.18(2) . . ?
Na10 Na5 Na9 107.97(2) . . ?
Na6 Na5 Na9 49.756(13) . . ?
O6 Na5 Na1 125.80(3) . . ?
O4 Na5 Na1 36.97(2) . . ?
C2 Na5 Na1 63.59(3) . . ?
C1 Na5 Na1 80.85(3) . . ?
C62 Na5 Na1 172.24(3) . . ?
C3 Na5 Na1 50.66(2) . . ?
C40 Na5 Na1 57.35(2) . . ?
C60 Na5 Na1 149.29(3) . . ?
Na10 Na5 Na1 48.743(15) . . ?
Na6 Na5 Na1 88.107(18) . . ?
Na9 Na5 Na1 104.37(2) . . ?
O9 Na6 O6 119.74(3) . . ?
O9 Na6 O8 139.00(4) . . ?
O6 Na6 O8 100.06(3) . . ?
O9 Na6 C83 120.86(5) . . ?
O6 Na6 C83 101.81(5) . . ?
O8 Na6 C83 52.85(4) . . ?
O9 Na6 Na9 155.36(3) . . ?
O6 Na6 Na9 48.76(2) . . ?
O8 Na6 Na9 53.58(3) . . ?
C83 Na6 Na9 83.76(4) . . ?
O9 Na6 Na13 39.08(2) . . ?
O6 Na6 Na13 140.44(3) . . ?
O8 Na6 Na13 103.12(3) . . ?
C83 Na6 Na13 117.74(5) . . ?
Na9 Na6 Na13 131.28(2) . . ?
O9 Na6 Na5 92.53(3) . . ?
O6 Na6 Na5 38.34(2) . . ?
O8 Na6 Na5 116.05(3) . . ?
C83 Na6 Na5 139.80(5) . . ?
Na9 Na6 Na5 65.592(18) . . ?
Na13 Na6 Na5 102.21(2) . . ?
O9 Na6 Na3 99.37(3) . . ?
O6 Na6 Na3 126.84(3) . . ?
O8 Na6 Na3 43.72(2) . . ?
C83 Na6 Na3 84.71(4) . . ?
Na9 Na6 Na3 80.534(19) . . ?
Na13 Na6 Na3 60.664(15) . . ?
Na5 Na6 Na3 113.28(2) . . ?
O9 Na6 Na10 36.62(2) . . ?
O6 Na6 Na10 93.37(2) . . ?
O8 Na6 Na10 140.77(3) . . ?
C83 Na6 Na10 157.38(4) . . ?
Na9 Na6 Na10 118.82(2) . . ?
Na13 Na6 Na10 49.402(16) . . ?
Na5 Na6 Na10 58.501(13) . . ?
Na3 Na6 Na10 99.598(15) . . ?
O3 Na7 O10 132.68(3) . . ?
O3 Na7 O7 123.75(3) . . ?
O10 Na7 O7 98.91(3) . . ?
O3 Na7 Na4 148.72(3) . . ?
O10 Na7 Na4 50.37(2) . . ?
O7 Na7 Na4 51.10(2) . . ?
O3 Na7 C31 52.54(3) . . ?
O10 Na7 C31 131.41(4) . . ?
O7 Na7 C31 112.81(4) . . ?
Na4 Na7 C31 156.21(3) . . ?
O3 Na7 C30 24.01(3) . . ?
O10 Na7 C30 135.54(4) . . ?
O7 Na7 C30 124.97(3) . . ?
Na4 Na7 C30 171.49(3) . . ?
C31 Na7 C30 28.81(3) . . ?
O3 Na7 Na3 42.64(2) . . ?
O10 Na7 Na3 95.65(2) . . ?
O7 Na7 Na3 129.56(3) . . ?
Na4 Na7 Na3 112.248(18) . . ?
C31 Na7 Na3 91.51(3) . . ?
C30 Na7 Na3 63.48(2) . . ?
O3 Na7 Na2 97.29(3) . . ?
O10 Na7 Na2 40.38(2) . . ?
O7 Na7 Na2 116.16(3) . . ?
Na4 Na7 Na2 68.104(18) . . ?
C31 Na7 Na2 131.02(3) . . ?
C30 Na7 Na2 112.21(3) . . ?
Na3 Na7 Na2 56.124(15) . . ?
O3 Na7 Na11 87.51(3) . . ?
O10 Na7 Na11 122.57(3) . . ?
O7 Na7 Na11 39.45(2) . . ?
Na4 Na7 Na11 73.89(2) . . ?
C31 Na7 Na11 104.85(3) . . ?
C30 Na7 Na11 98.60(3) . . ?
Na3 Na7 Na11 93.136(17) . . ?
Na2 Na7 Na11 111.907(18) . . ?
O3 Na7 Na8 31.97(2) . . ?
O10 Na7 Na8 140.78(3) . . ?
O7 Na7 Na8 95.06(2) . . ?
Na4 Na7 Na8 120.88(2) . . ?
C31 Na7 Na8 73.65(3) . . ?
C30 Na7 Na8 50.63(2) . . ?
Na3 Na7 Na8 48.754(14) . . ?
Na2 Na7 Na8 100.82(2) . . ?
Na11 Na7 Na8 56.473(13) . . ?
O11 Na8 O3 128.10(3) . . ?
O11 Na8 O8 103.57(3) . . ?
O3 Na8 O8 102.95(3) . . ?
O11 Na8 C32 124.94(5) . . ?
O3 Na8 C32 56.54(4) . . ?
O8 Na8 C32 130.39(5) . . ?
O11 Na8 Na9 49.65(2) . . ?
O3 Na8 Na9 129.17(3) . . ?
O8 Na8 Na9 54.22(2) . . ?
C32 Na8 Na9 173.35(4) . . ?
O11 Na8 Na3 129.97(3) . . ?
O3 Na8 Na3 50.13(2) . . ?
O8 Na8 Na3 53.02(2) . . ?
C32 Na8 Na3 95.76(4) . . ?
Na9 Na8 Na3 90.88(2) . . ?
O11 Na8 C30 133.37(4) . . ?
O3 Na8 C30 26.10(3) . . ?
O8 Na8 C30 117.87(4) . . ?
C32 Na8 C30 30.46(4) . . ?
Na9 Na8 C30 155.22(3) . . ?
Na3 Na8 C30 69.89(3) . . ?
O11 Na8 C82 101.08(4) . . ?
O3 Na8 C82 130.27(5) . . ?
O8 Na8 C82 52.03(4) . . ?
C32 Na8 C82 103.84(5) . . ?
Na9 Na8 C82 75.13(4) . . ?
Na3 Na8 C82 94.85(3) . . ?
C30 Na8 C82 120.57(5) . . ?
O11 Na8 C80 112.95(3) . . ?
O3 Na8 C80 110.39(3) . . ?
O8 Na8 C80 25.95(3) . . ?
C32 Na8 C80 112.55(5) . . ?
Na9 Na8 C80 69.81(3) . . ?
Na3 Na8 C80 66.82(2) . . ?
C30 Na8 C80 113.67(4) . . ?
C82 Na8 C80 29.00(3) . . ?
O11 Na8 Na11 39.86(2) . . ?
O3 Na8 Na11 88.88(3) . . ?
O8 Na8 Na11 111.05(3) . . ?
C32 Na8 Na11 112.77(4) . . ?
Na9 Na8 Na11 65.99(2) . . ?
Na3 Na8 Na11 101.77(2) . . ?
C30 Na8 Na11 101.78(3) . . ?
C82 Na8 Na11 137.61(4) . . ?
C80 Na8 Na11 134.11(3) . . ?
O11 Na8 Na7 97.44(2) . . ?
O3 Na8 Na7 32.25(2) . . ?
O8 Na8 Na7 105.29(3) . . ?
C32 Na8 Na7 80.19(3) . . ?
Na9 Na8 Na7 103.71(2) . . ?
Na3 Na8 Na7 58.728(17) . . ?
C30 Na8 Na7 53.26(2) . . ?
C82 Na8 Na7 153.57(3) . . ?
C80 Na8 Na7 125.15(3) . . ?
Na11 Na8 Na7 57.588(15) . . ?
O6 Na9 O11 161.92(4) . . ?
O6 Na9 O8 98.37(3) . . ?
O11 Na9 O8 98.65(3) . . ?
O6 Na9 Na8 147.17(3) . . ?
O11 Na9 Na8 48.42(2) . . ?
O8 Na9 Na8 50.50(2) . . ?
O6 Na9 Na6 49.54(3) . . ?
O11 Na9 Na6 143.89(3) . . ?
O8 Na9 Na6 51.05(2) . . ?
Na8 Na9 Na6 97.63(2) . . ?
O6 Na9 C3 84.70(3) . . ?
O11 Na9 C3 89.69(3) . . ?
O8 Na9 C3 88.50(3) . . ?
Na8 Na9 C3 84.38(3) . . ?
Na6 Na9 C3 72.57(3) . . ?
O6 Na9 C61 50.95(3) . . ?
O11 Na9 C61 126.09(4) . . ?
O8 Na9 C61 112.49(4) . . ?
Na8 Na9 C61 142.55(3) . . ?
Na6 Na9 C61 87.59(3) . . ?
C3 Na9 C61 131.96(3) . . ?
O6 Na9 C2 82.98(3) . . ?
O11 Na9 C2 84.38(3) . . ?
O8 Na9 C2 114.85(3) . . ?
Na8 Na9 C2 99.97(3) . . ?
Na6 Na9 C2 91.53(3) . . ?
C3 Na9 C2 26.40(3) . . ?
C61 Na9 C2 117.01(4) . . ?
O6 Na9 Na11 128.76(3) . . ?
O11 Na9 Na11 39.01(2) . . ?
O8 Na9 Na11 106.36(2) . . ?
Na8 Na9 Na11 64.116(17) . . ?
Na6 Na9 Na11 122.50(2) . . ?
C3 Na9 Na11 52.68(2) . . ?
C61 Na9 Na11 140.75(3) . . ?
C2 Na9 Na11 45.98(2) . . ?
O6 Na9 Na5 37.64(2) . . ?
O11 Na9 Na5 127.95(3) . . ?
O8 Na9 Na5 112.79(2) . . ?
Na8 Na9 Na5 136.340(19) . . ?
Na6 Na9 Na5 64.651(18) . . ?
C3 Na9 Na5 52.80(2) . . ?
C61 Na9 Na5 79.17(3) . . ?
C2 Na9 Na5 45.39(2) . . ?
Na11 Na9 Na5 91.138(15) . . ?
O6 Na9 Na3 103.48(3) . . ?
O11 Na9 Na3 88.26(2) . . ?
O8 Na9 Na3 30.64(2) . . ?
Na8 Na9 Na3 44.997(16) . . ?
Na6 Na9 Na3 55.631(15) . . ?
C3 Na9 Na3 59.53(2) . . ?
C61 Na9 Na3 138.61(3) . . ?
C2 Na9 Na3 85.28(3) . . ?
Na11 Na9 Na3 80.153(15) . . ?
Na5 Na9 Na3 98.218(18) . . ?
O4 Na10 O9 132.17(4) . . ?
O4 Na10 O2 102.65(3) . . ?
O9 Na10 O2 99.41(3) . . ?
O4 Na10 Na1 50.83(2) . . ?
O9 Na10 Na1 126.79(3) . . ?
O2 Na10 Na1 52.31(2) . . ?
O4 Na10 Na13 137.39(3) . . ?
O9 Na10 Na13 48.27(2) . . ?
O2 Na10 Na13 51.33(2) . . ?
Na1 Na10 Na13 92.845(19) . . ?
O4 Na10 C23 105.65(4) . . ?
O9 Na10 C23 121.44(4) . . ?
O2 Na10 C23 52.79(3) . . ?
Na1 Na10 C23 79.76(3) . . ?
Na13 Na10 C23 85.05(3) . . ?
O4 Na10 C91 139.86(4) . . ?
O9 Na10 C91 24.68(3) . . ?
O2 Na10 C91 112.02(4) . . ?
Na1 Na10 C91 151.16(3) . . ?
Na13 Na10 C91 62.87(3) . . ?
C23 Na10 C91 111.13(4) . . ?
O4 Na10 Na5 39.08(2) . . ?
O9 Na10 Na5 93.10(3) . . ?
O2 Na10 Na5 114.70(3) . . ?
Na1 Na10 Na5 69.207(15) . . ?
Na13 Na10 Na5 114.44(2) . . ?
C23 Na10 Na5 143.49(3) . . ?
C91 Na10 Na5 105.30(3) . . ?
O4 Na10 Na6 97.39(3) . . ?
O9 Na10 Na6 36.59(2) . . ?
O2 Na10 Na6 100.48(2) . . ?
Na1 Na10 Na6 98.403(17) . . ?
Na13 Na10 Na6 62.665(15) . . ?
C23 Na10 Na6 147.62(3) . . ?
C91 Na10 Na6 57.71(2) . . ?
Na5 Na10 Na6 59.115(17) . . ?
O11 Na11 O7 143.39(4) . . ?
O11 Na11 C2 96.96(4) . . ?
O7 Na11 C2 96.93(4) . . ?
O11 Na11 C1 98.10(3) . . ?
O7 Na11 C1 108.62(4) . . ?
C2 Na11 C1 25.29(3) . . ?
O11 Na11 C3 92.47(3) . . ?
O7 Na11 C3 84.05(3) . . ?
C2 Na11 C3 28.52(3) . . ?
C1 Na11 C3 53.78(3) . . ?
O11 Na11 C71 123.32(4) . . ?
O7 Na11 C71 53.06(3) . . ?
C2 Na11 C71 139.63(4) . . ?
C1 Na11 C71 130.59(4) . . ?
C3 Na11 C71 136.94(4) . . ?
O11 Na11 C113 51.29(3) . . ?
O7 Na11 C113 142.10(4) . . ?
C2 Na11 C113 117.82(4) . . ?
C1 Na11 C113 98.80(4) . . ?
C3 Na11 C113 133.80(4) . . ?
C71 Na11 C113 89.23(4) . . ?
O11 Na11 C70 145.53(4) . . ?
O7 Na11 C70 24.96(3) . . ?
C2 Na11 C70 114.18(4) . . ?
C1 Na11 C70 116.37(3) . . ?
C3 Na11 C70 107.67(3) . . ?
C71 Na11 C70 29.39(3) . . ?
C113 Na11 C70 118.29(3) . . ?
O11 Na11 Na8 39.08(2) . . ?
O7 Na11 Na8 105.28(3) . . ?
C2 Na11 Na8 98.35(3) . . ?
C1 Na11 Na8 115.02(3) . . ?
C3 Na11 Na8 77.38(3) . . ?
C71 Na11 Na8 114.19(3) . . ?
C113 Na11 Na8 85.27(3) . . ?
C70 Na11 Na8 117.65(3) . . ?
O11 Na11 Na7 105.01(3) . . ?
O7 Na11 Na7 40.34(2) . . ?
C2 Na11 Na7 93.81(3) . . ?
C1 Na11 Na7 117.45(3) . . ?
C3 Na11 Na7 67.73(3) . . ?
C71 Na11 Na7 79.38(3) . . ?
C113 Na11 Na7 140.39(3) . . ?
C70 Na11 Na7 60.47(2) . . ?
Na8 Na11 Na7 65.940(19) . . ?
O11 Na11 Na9 39.09(2) . . ?
O7 Na11 Na9 133.96(3) . . ?
C2 Na11 Na9 58.60(3) . . ?
C1 Na11 Na9 66.76(3) . . ?
C3 Na11 Na9 55.44(2) . . ?
C71 Na11 Na9 161.50(3) . . ?
C113 Na11 Na9 80.65(3) . . ?
C70 Na11 Na9 158.45(3) . . ?
Na8 Na11 Na9 49.894(13) . . ?
Na7 Na11 Na9 98.600(17) . . ?
O11 Na11 Na4 139.64(3) . . ?
O7 Na11 Na4 32.21(2) . . ?
C2 Na11 Na4 64.93(3) . . ?
C1 Na11 Na4 80.26(3) . . ?
C3 Na11 Na4 53.91(2) . . ?
C71 Na11 Na4 83.30(3) . . ?
C113 Na11 Na4 169.06(3) . . ?
C70 Na11 Na4 53.91(2) . . ?
Na8 Na11 Na4 105.074(19) . . ?
Na7 Na11 Na4 45.764(11) . . ?
Na9 Na11 Na4 108.638(16) . . ?
O5 Na12 C1 148.93(4) . 5_665 ?
O5 Na12 C1 115.58(4) . . ?
C1 Na12 C1 95.49(4) 5_665 . ?
O5 Na12 C2 89.72(3) . . ?
C1 Na12 C2 121.35(4) 5_665 . ?
C1 Na12 C2 25.86(3) . . ?
O5 Na12 C54 54.92(3) . . ?
C1 Na12 C54 94.86(4) 5_665 . ?
C1 Na12 C54 164.08(4) . . ?
C2 Na12 C54 141.84(4) . . ?
O5 Na12 C51 25.81(3) . . ?
C1 Na12 C51 123.16(4) 5_665 . ?
C1 Na12 C51 141.33(4) . . ?
C2 Na12 C51 115.47(4) . . ?
C54 Na12 C51 29.93(3) . . ?
O5 Na12 Na12 162.62(3) . 5_665 ?
C1 Na12 Na12 48.45(3) 5_665 5_665 ?
C1 Na12 Na12 47.04(3) . 5_665 ?
C2 Na12 Na12 72.90(3) . 5_665 ?
C54 Na12 Na12 141.74(3) . 5_665 ?
C51 Na12 Na12 171.50(3) . 5_665 ?
O5 Na12 Na4 38.22(2) . . ?
C1 Na12 Na4 150.14(3) 5_665 . ?
C1 Na12 Na4 90.13(3) . . ?
C2 Na12 Na4 67.55(3) . . ?
C54 Na12 Na4 74.97(3) . . ?
C51 Na12 Na4 56.11(2) . . ?
Na12 Na12 Na4 129.73(2) 5_665 . ?
O5 Na12 Na1 38.07(2) . . ?
C1 Na12 Na1 154.90(3) 5_665 . ?
C1 Na12 Na1 86.18(3) . . ?
C2 Na12 Na1 63.22(3) . . ?
C54 Na12 Na1 89.56(3) . . ?
C51 Na12 Na1 59.87(2) . . ?
Na12 Na12 Na1 128.00(2) 5_665 . ?
Na4 Na12 Na1 54.603(16) . . ?
O5 Na12 Na5 93.64(2) . . ?
C1 Na12 Na5 110.93(3) 5_665 . ?
C1 Na12 Na5 41.38(3) . . ?
C2 Na12 Na5 37.28(2) . . ?
C54 Na12 Na5 142.67(3) . . ?
C51 Na12 Na5 114.90(3) . . ?
Na12 Na12 Na5 72.457(17) 5_665 . ?
Na4 Na12 Na5 92.512(16) . . ?
Na1 Na12 Na5 55.843(12) . . ?
O1 Na13 O9 135.88(4) . . ?
O1 Na13 O2 106.16(3) . . ?
O9 Na13 O2 99.70(3) . . ?
O1 Na13 Na2 52.12(2) . . ?
O9 Na13 Na2 131.17(3) . . ?
O2 Na13 Na2 54.87(2) . . ?
O1 Na13 C12 53.69(4) . . ?
O9 Na13 C12 126.64(5) . . ?
O2 Na13 C12 130.51(5) . . ?
Na2 Na13 C12 96.62(4) . . ?
O1 Na13 Na10 144.21(3) . . ?
O9 Na13 Na10 48.98(2) . . ?
O2 Na13 Na10 50.91(2) . . ?
Na2 Na13 Na10 96.580(19) . . ?
C12 Na13 Na10 161.40(4) . . ?
O1 Na13 C22 99.32(4) . . ?
O9 Na13 C22 124.63(4) . . ?
O2 Na13 C22 50.69(3) . . ?
Na2 Na13 C22 74.35(3) . . ?
C12 Na13 C22 85.36(5) . . ?
Na10 Na13 C22 85.65(3) . . ?
O1 Na13 C10 24.30(3) . . ?
O9 Na13 C10 138.88(4) . . ?
O2 Na13 C10 119.20(3) . . ?
Na2 Na13 C10 71.08(3) . . ?
C12 Na13 C10 29.42(4) . . ?
Na10 Na13 C10 167.55(3) . . ?
C22 Na13 C10 92.32(4) . . ?
O1 Na13 C92 143.74(5) . . ?
O9 Na13 C92 50.06(4) . . ?
O2 Na13 C92 106.99(5) . . ?
Na2 Na13 C92 161.28(4) . . ?
C12 Na13 C92 92.95(5) . . ?
Na10 Na13 C92 70.87(4) . . ?
C22 Na13 C92 90.50(5) . . ?
C10 Na13 C92 121.47(5) . . ?
O1 Na13 Na6 98.64(3) . . ?
O9 Na13 Na6 39.56(2) . . ?
O2 Na13 Na6 104.44(3) . . ?
Na2 Na13 Na6 101.408(19) . . ?
C12 Na13 Na6 121.81(4) . . ?
Na10 Na13 Na6 67.934(19) . . ?
C22 Na13 Na6 152.79(3) . . ?
C10 Na13 Na6 112.02(3) . . ?
C92 Na13 Na6 86.98(3) . . ?
O1 Na13 Na3 38.97(2) . . ?
O9 Na13 Na3 99.68(3) . . ?
O2 Na13 Na3 106.46(3) . . ?
Na2 Na13 Na3 59.363(15) . . ?
C12 Na13 Na3 84.09(3) . . ?
Na10 Na13 Na3 113.996(19) . . ?
C22 Na13 Na3 130.70(4) . . ?
C10 Na13 Na3 58.78(2) . . ?
C92 Na13 Na3 138.00(4) . . ?
Na6 Na13 Na3 60.498(17) . . ?
C51 O5 Na12 110.48(6) . . ?
C51 O5 Na1 127.48(6) . . ?
Na12 O5 Na1 104.78(3) . . ?
C51 O5 Na4 114.53(6) . . ?
Na12 O5 Na4 104.59(4) . . ?
Na1 O5 Na4 91.83(3) . . ?
C80 O8 Na8 107.75(6) . . ?
C80 O8 Na6 110.82(6) . . ?
Na8 O8 Na6 140.06(4) . . ?
C80 O8 Na3 117.36(7) . . ?
Na8 O8 Na3 77.03(3) . . ?
Na6 O8 Na3 94.00(3) . . ?
C80 O8 Na9 123.09(6) . . ?
Na8 O8 Na9 75.28(3) . . ?
Na6 O8 Na9 75.37(3) . . ?
Na3 O8 Na9 118.48(3) . . ?
C100 O10 Na4 132.36(6) . . ?
C100 O10 Na2 114.98(6) . . ?
Na4 O10 Na2 104.44(3) . . ?
C100 O10 Na7 118.73(6) . . ?
Na4 O10 Na7 78.34(3) . . ?
Na2 O10 Na7 98.59(3) . . ?
C20 O2 Na10 112.43(6) . . ?
C20 O2 Na13 114.28(6) . . ?
Na10 O2 Na13 77.76(3) . . ?
C20 O2 Na1 117.12(6) . . ?
Na10 O2 Na1 76.96(3) . . ?
Na13 O2 Na1 128.12(4) . . ?
C20 O2 Na2 116.47(6) . . ?
Na10 O2 Na2 129.86(4) . . ?
Na13 O2 Na2 73.00(3) . . ?
Na1 O2 Na2 90.21(3) . . ?
C30 O3 Na8 109.95(6) . . ?
C30 O3 Na7 115.68(6) . . ?
Na8 O3 Na7 115.77(4) . . ?
C30 O3 Na3 133.29(7) . . ?
Na8 O3 Na3 82.22(3) . . ?
Na7 O3 Na3 96.26(3) . . ?
C40 O4 Na10 129.45(6) . . ?
C40 O4 Na5 110.47(6) . . ?
Na10 O4 Na5 102.60(3) . . ?
C40 O4 Na1 121.01(6) . . ?
Na10 O4 Na1 81.56(3) . . ?
Na5 O4 Na1 107.41(3) . . ?
C60 O6 Na5 113.13(7) . . ?
C60 O6 Na9 119.19(6) . . ?
Na5 O6 Na9 104.24(4) . . ?
C60 O6 Na6 130.48(7) . . ?
Na5 O6 Na6 102.27(3) . . ?
Na9 O6 Na6 81.70(3) . . ?
C70 O7 Na11 112.36(6) . . ?
C70 O7 Na4 119.27(6) . . ?
Na11 O7 Na4 116.18(4) . . ?
C70 O7 Na7 126.34(7) . . ?
Na11 O7 Na7 100.21(3) . . ?
Na4 O7 Na7 77.69(3) . . ?
C91 O9 Na13 119.01(7) . . ?
C91 O9 Na6 125.09(7) . . ?
Na13 O9 Na6 101.37(3) . . ?
C91 O9 Na10 113.42(7) . . ?
Na13 O9 Na10 82.76(3) . . ?
Na6 O9 Na10 106.78(4) . . ?
C10 O1 Na13 115.29(7) . . ?
C10 O1 Na3 123.21(7) . . ?
Na13 O1 Na3 103.35(4) . . ?
C10 O1 Na2 136.62(7) . . ?
Na13 O1 Na2 78.56(3) . . ?
Na3 O1 Na2 89.08(3) . . ?
C4 C3 C2 178.73(12) . . ?
C4 C3 Na1 81.77(7) . . ?
C2 C3 Na1 99.36(7) . . ?
C4 C3 Na11 116.92(8) . . ?
C2 C3 Na11 62.62(6) . . ?
Na1 C3 Na11 137.22(4) . . ?
C4 C3 Na5 118.66(8) . . ?
C2 C3 Na5 61.15(6) . . ?
Na1 C3 Na5 77.77(3) . . ?
Na11 C3 Na5 117.20(4) . . ?
C4 C3 Na9 99.78(8) . . ?
C2 C3 Na9 78.96(6) . . ?
Na1 C3 Na9 146.53(4) . . ?
Na11 C3 Na9 71.88(3) . . ?
Na5 C3 Na9 72.21(3) . . ?
O10 C100 C103 110.90(10) . . ?
O10 C100 C102 111.34(9) . . ?
C103 C100 C102 107.36(11) . . ?
O10 C100 C101 109.95(9) . . ?
C103 C100 C101 109.31(13) . . ?
C102 C100 C101 107.88(12) . . ?
O10 C100 Na2 41.03(4) . . ?
C103 C100 Na2 73.75(7) . . ?
C102 C100 Na2 141.36(8) . . ?
C101 C100 Na2 107.84(8) . . ?
C1 C2 C3 176.52(11) . . ?
C1 C2 Na5 88.14(8) . . ?
C3 C2 Na5 90.55(6) . . ?
C1 C2 Na11 90.71(8) . . ?
C3 C2 Na11 88.87(7) . . ?
Na5 C2 Na11 150.83(4) . . ?
C1 C2 Na12 64.56(7) . . ?
C3 C2 Na12 118.87(7) . . ?
Na5 C2 Na12 101.09(4) . . ?
Na11 C2 Na12 104.68(4) . . ?
C1 C2 Na9 101.91(7) . . ?
C3 C2 Na9 74.64(6) . . ?
Na5 C2 Na9 76.32(3) . . ?
Na11 C2 Na9 75.41(3) . . ?
Na12 C2 Na9 166.42(4) . . ?
O2 C20 C21 110.58(9) . . ?
O2 C20 C23 110.70(9) . . ?
C21 C20 C23 108.22(11) . . ?
O2 C20 C22 110.51(9) . . ?
C21 C20 C22 108.81(11) . . ?
C23 C20 C22 107.95(10) . . ?
C3 C4 Na2 142.04(9) . . ?
C3 C4 Na3 140.50(9) . . ?
Na2 C4 Na3 73.89(4) . . ?
C3 C4 Na1 74.13(7) . . ?
Na2 C4 Na1 74.70(3) . . ?
Na3 C4 Na1 145.24(5) . . ?
O7 C70 C71 110.39(9) . . ?
O7 C70 C73 109.84(10) . . ?
C71 C70 C73 108.48(11) . . ?
O7 C70 C72 110.65(10) . . ?
C71 C70 C72 107.83(10) . . ?
C73 C70 C72 109.59(11) . . ?
O7 C70 Na11 42.68(5) . . ?
C71 C70 Na11 71.17(6) . . ?
C73 C70 Na11 107.91(8) . . ?
C72 C70 Na11 140.38(9) . . ?
O9 C91 C93 110.67(10) . . ?
O9 C91 C92 110.15(10) . . ?
C93 C91 C92 110.04(13) . . ?
O9 C91 C94 109.87(10) . . ?
C93 C91 C94 108.31(12) . . ?
C92 C91 C94 107.74(12) . . ?
O9 C91 Na10 41.90(5) . . ?
C93 C91 Na10 150.42(9) . . ?
C92 C91 Na10 93.49(8) . . ?
C94 C91 Na10 79.75(8) . . ?
O3 C30 C33 110.16(10) . . ?
O3 C30 C31 110.90(9) . . ?
C33 C30 C31 108.78(11) . . ?
O3 C30 C32 110.42(9) . . ?
C33 C30 C32 108.97(12) . . ?
C31 C30 C32 107.54(11) . . ?
O3 C30 Na8 43.95(5) . . ?
C33 C30 Na8 123.34(8) . . ?
C31 C30 Na8 126.86(8) . . ?
C32 C30 Na8 66.52(6) . . ?
O3 C30 Na7 40.31(5) . . ?
C33 C30 Na7 117.41(8) . . ?
C31 C30 Na7 71.32(6) . . ?
C32 C30 Na7 131.35(9) . . ?
Na8 C30 Na7 76.10(3) . . ?
O4 C40 C41 109.70(9) . . ?
O4 C40 C43 110.68(9) . . ?
C41 C40 C43 109.08(10) . . ?
O4 C40 C42 110.67(9) . . ?
C41 C40 C42 108.18(9) . . ?
C43 C40 C42 108.47(9) . . ?
O4 C40 Na5 43.86(5) . . ?
C41 C40 Na5 88.88(6) . . ?
C43 C40 Na5 82.82(6) . . ?
C42 C40 Na5 154.13(8) . . ?
C51 C54 Na12 81.05(6) . . ?
C51 C53 Na4 80.48(6) . . ?
O8 C80 C81 110.79(10) . . ?
O8 C80 C83 111.20(10) . . ?
C81 C80 C83 108.14(13) . . ?
O8 C80 C82 110.82(10) . . ?
C81 C80 C82 107.90(13) . . ?
C83 C80 C82 107.87(13) . . ?
O8 C80 Na8 46.30(5) . . ?
C81 C80 Na8 99.09(9) . . ?
C83 C80 Na8 150.55(10) . . ?
C82 C80 Na8 72.96(7) . . ?
O6 C60 C63 110.69(10) . . ?
O6 C60 C61 110.06(9) . . ?
C63 C60 C61 109.06(10) . . ?
O6 C60 C62 110.54(9) . . ?
C63 C60 C62 108.83(10) . . ?
C61 C60 C62 107.58(10) . . ?
O6 C60 Na5 41.88(5) . . ?
C63 C60 Na5 118.61(8) . . ?
C61 C60 Na5 130.64(8) . . ?
C62 C60 Na5 69.31(6) . . ?
C70 C71 Na11 79.44(6) . . ?
C2 C1 Na12 174.00(9) . 5_665 ?
C2 C1 Na12 89.57(7) . . ?
Na12 C1 Na12 84.51(4) 5_665 . ?
C2 C1 Na5 65.96(7) . . ?
Na12 C1 Na5 116.25(4) 5_665 . ?
Na12 C1 Na5 101.87(4) . . ?
C2 C1 Na11 64.01(7) . . ?
Na12 C1 Na11 116.49(4) 5_665 . ?
Na12 C1 Na11 104.10(4) . . ?
Na5 C1 Na11 122.57(4) . . ?
C60 C61 Na9 79.53(6) . . ?
O5 C51 C52 110.79(9) . . ?
O5 C51 C53 109.92(9) . . ?
C52 C51 C53 108.93(9) . . ?
O5 C51 C54 110.57(8) . . ?
C52 C51 C54 108.45(10) . . ?
C53 C51 C54 108.12(9) . . ?
O5 C51 Na12 43.71(4) . . ?
C52 C51 Na12 112.58(7) . . ?
C53 C51 Na12 136.92(7) . . ?
C54 C51 Na12 69.02(6) . . ?
C20 C22 Na13 80.58(6) . . ?
O1 C10 C13 110.24(10) . . ?
O1 C10 C11 111.28(10) . . ?
C13 C10 C11 109.14(14) . . ?
O1 C10 C12 109.99(11) . . ?
C13 C10 C12 108.73(14) . . ?
C11 C10 C12 107.39(12) . . ?
O1 C10 Na13 40.40(5) . . ?
C13 C10 Na13 121.95(10) . . ?
C11 C10 Na13 127.16(9) . . ?
C12 C10 Na13 69.68(8) . . ?
C30 C31 Na7 79.87(6) . . ?
C110 O11 Na8 123.62(7) . . ?
C110 O11 Na11 117.90(6) . . ?
Na8 O11 Na11 101.06(3) . . ?
C110 O11 Na9 123.19(6) . . ?
Na8 O11 Na9 81.94(3) . . ?
Na11 O11 Na9 101.90(4) . . ?
O11 C110 C111 110.31(10) . . ?
O11 C110 C113 110.10(9) . . ?
C111 C110 C113 108.97(10) . . ?
O11 C110 C112 110.25(9) . . ?
C111 C110 C112 109.21(11) . . ?
C113 C110 C112 107.96(11) . . ?
C20 C23 Na10 83.13(7) . . ?
C60 C62 Na5 80.93(7) . . ?
C91 C92 Na13 77.03(7) . . ?
C30 C32 Na8 83.02(7) . . ?
C10 C12 Na13 80.91(7) . . ?
C110 C113 Na11 79.66(6) . . ?
C80 C83 Na6 83.87(7) . . ?
C100 C103 Na2 77.90(7) . . ?
C80 C82 Na8 78.04(7) . . ?
C203 C202 C201 118.0(8) . . ?
C204 C203 C202 122.5(11) . . ?
C203 C204 C205 117.4(7) . . ?
C206 C205 C204 107.0(14) . . ?
C207 C206 C205 109.1(10) . . ?

_refine_diff_density_max         0.319
_refine_diff_density_min         -0.271
_refine_diff_density_rms         0.040

_shelxl_version_number           2013-4



_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: n-heptane'
_chemical_properties_physical    
Air-sensitive,Moisture-sensitive,Hygroscopic,Oxygen-sensitive
