#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:55:38 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179496 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/93/4339309.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4339309
loop_
_publ_author_name
'Natrajan, Louise S.'
'Timmins, Phillipa L.'
'Lunn, Matthew'
'Heath, Sarah L.'
_publ_section_title
;
 Luminescent dinuclear lanthanide complexes of 5-Me-HXTA.
;
_journal_issue                   25
_journal_name_full               'Inorganic chemistry'
_journal_page_first              10877
_journal_page_last               10886
_journal_paper_doi               10.1021/ic701366f
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C34 H44.75 Ho2 N4 Na4 O23.75'
_chemical_formula_weight         1311.31
_chemical_name_common            'compound 6'
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                95.086(12)
_cell_angle_beta                 99.109(11)
_cell_angle_gamma                108.664(12)
_cell_formula_units_Z            8
_cell_length_a                   16.865(3)
_cell_length_b                   17.4715(19)
_cell_length_c                   39.741(9)
_cell_measurement_reflns_used    6269
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.58
_cell_measurement_theta_min      2.92
_cell_volume                     10832(3)
_computing_cell_refinement       'LSCELL (Clegg, 1997)'
_computing_data_collection       'Bruker AXS SMART'
_computing_data_reduction        'Bruker AXS SAINT'
_computing_molecular_graphics    'Bruker AXS SHELXTL'
_computing_publication_material  'Bruker AXS SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.765
_diffrn_measured_fraction_theta_max 0.725
_diffrn_measurement_device_type  'Bruker CCD 1K area detector diffractometer'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0657
_diffrn_reflns_av_sigmaI/netI    0.1252
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       52
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            89537
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         1.05
_exptl_absorpt_coefficient_mu    3.008
_exptl_absorpt_correction_T_max  0.786
_exptl_absorpt_correction_T_min  0.689
_exptl_absorpt_correction_type   semi-empirical
_exptl_absorpt_process_details   'repeated and equivalent reflections'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.608
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             5158
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.09
_refine_diff_density_max         2.844
_refine_diff_density_min         -1.340
_refine_diff_density_rms         0.269
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.922
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2456
_refine_ls_number_reflns         38984
_refine_ls_number_restraints     134
_refine_ls_restrained_S_all      0.921
_refine_ls_R_factor_all          0.1200
_refine_ls_R_factor_gt           0.0605
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1054P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1579
_refine_ls_wR_factor_ref         0.1976
_reflns_number_gt                20214
_reflns_number_total             38984
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic701366f-file001.cif
_cod_data_source_block           ihs16
_cod_depositor_comments
;
The following automatic conversions were performed:

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

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4339309
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ho2 Ho 0.74295(3) 0.22727(3) 0.812503(14) 0.01674(14) Uani 1 1 d . . .
Ho1 Ho 0.82062(3) 0.43397(3) 0.867622(15) 0.01866(14) Uani 1 1 d . . .
O1 O 0.7007(5) 0.3296(5) 0.8358(2) 0.0260(14) Uani 1 1 d U . .
O4 O 0.8389(5) 0.5594(5) 0.9012(2) 0.025(2) Uani 1 1 d . . .
O5 O 0.7759(5) 0.6519(5) 0.9070(2) 0.031(2) Uani 1 1 d . . .
O2 O 0.8246(5) 0.3670(5) 0.9157(2) 0.025(2) Uani 1 1 d . . .
O3 O 0.8180(6) 0.3660(5) 0.9707(2) 0.030(2) Uani 1 1 d . . .
O6 O 0.6054(5) 0.1537(5) 0.8168(2) 0.028(2) Uani 1 1 d . . .
O7 O 0.4642(6) 0.0982(6) 0.7959(2) 0.040(3) Uani 1 1 d . . .
O8 O 0.8044(5) 0.2675(5) 0.7664(2) 0.025(2) Uani 1 1 d . . .
O9 O 0.8020(6) 0.2576(5) 0.7095(2) 0.032(2) Uani 1 1 d . . .
O10 O 0.8608(4) 0.3416(5) 0.8358(2) 0.0177(19) Uani 1 1 d . . .
O13 O 0.9682(5) 0.4780(5) 0.8934(2) 0.026(2) Uani 1 1 d . . .
O14 O 1.1054(6) 0.5585(6) 0.8990(2) 0.043(3) Uani 1 1 d . . .
O12 O 0.7472(5) 0.4948(5) 0.8293(2) 0.022(2) Uani 1 1 d . . .
O11 O 0.7386(6) 0.6041(6) 0.8073(2) 0.036(2) Uani 1 1 d . . .
O15 O 0.7137(5) 0.0988(5) 0.7788(2) 0.022(2) Uani 1 1 d . . .
O16 O 0.7633(5) 0.0161(5) 0.7491(2) 0.030(2) Uani 1 1 d . . .
O17 O 0.7622(5) 0.1923(5) 0.8672(2) 0.023(2) Uani 1 1 d . . .
O18 O 0.8087(6) 0.1189(6) 0.9044(2) 0.034(2) Uani 1 1 d . . .
N1 N 0.7014(6) 0.4335(6) 0.9025(3) 0.020(2) Uani 1 1 d . . .
N2 N 0.6341(5) 0.2267(6) 0.7602(2) 0.019(2) Uani 1 1 d . . .
N3 N 0.9170(6) 0.5376(6) 0.8353(3) 0.025(3) Uani 1 1 d . . .
N4 N 0.8612(6) 0.1674(6) 0.8244(3) 0.022(2) Uani 1 1 d U . .
C1 C 0.6228(7) 0.3379(7) 0.8271(4) 0.0261(13) Uani 1 1 d U . .
C2 C 0.5813(7) 0.3557(7) 0.8530(4) 0.0266(13) Uani 1 1 d U . .
C3 C 0.5010(7) 0.3662(7) 0.8447(4) 0.0267(14) Uani 1 1 d U . .
H3A H 0.4740 0.3782 0.8621 0.032 Uiso 1 1 calc R . .
C4 C 0.4627(7) 0.3583(7) 0.8101(4) 0.0267(15) Uani 1 1 d U . .
C5 C 0.5030(8) 0.3374(8) 0.7838(4) 0.035(4) Uani 1 1 d . . .
H5A H 0.4765 0.3299 0.7608 0.043 Uiso 1 1 calc R . .
C6 C 0.5833(7) 0.3277(8) 0.7926(4) 0.031(4) Uani 1 1 d . . .
C7 C 0.3762(7) 0.3687(8) 0.7998(4) 0.035(4) Uani 1 1 d . . .
H7A1 H 0.3601 0.3606 0.7751 0.053 Uiso 1 1 calc R . .
H7A2 H 0.3798 0.4227 0.8089 0.053 Uiso 1 1 calc R . .
H7A3 H 0.3341 0.3292 0.8089 0.053 Uiso 1 1 calc R . .
C8 C 0.6205(8) 0.3639(8) 0.8901(4) 0.033(4) Uani 1 1 d . . .
H8A1 H 0.5794 0.3696 0.9039 0.040 Uiso 1 1 calc R . .
H8A2 H 0.6312 0.3137 0.8941 0.040 Uiso 1 1 calc R . .
C10 C 0.6871(7) 0.5105(7) 0.8986(3) 0.024(3) Uani 1 1 d . . .
H9A1 H 0.6567 0.5227 0.9160 0.029 Uiso 1 1 calc R . .
H9A2 H 0.6523 0.5060 0.8762 0.029 Uiso 1 1 calc R . .
C12 C 0.7725(8) 0.5794(7) 0.9025(3) 0.024(3) Uani 1 1 d . . .
C9 C 0.7359(7) 0.4341(8) 0.9394(3) 0.027(3) Uani 1 1 d . . .
H11A H 0.6892 0.4103 0.9509 0.033 Uiso 1 1 calc R . .
H11B H 0.7658 0.4900 0.9505 0.033 Uiso 1 1 calc R . .
C11 C 0.7972(8) 0.3855(7) 0.9427(4) 0.029(3) Uani 1 1 d . . .
C13 C 0.6272(9) 0.3125(8) 0.7643(4) 0.035(4) Uani 1 1 d . . .
H13A H 0.6842 0.3527 0.7688 0.042 Uiso 1 1 calc R . .
H13B H 0.5965 0.3200 0.7428 0.042 Uiso 1 1 calc R . .
C14 C 0.5504(8) 0.1654(8) 0.7573(3) 0.033(3) Uani 1 1 d U . .
H14A H 0.5442 0.1185 0.7408 0.040 Uiso 1 1 calc R . .
H14B H 0.5064 0.1878 0.7490 0.040 Uiso 1 1 calc R . .
C16 C 0.5393(8) 0.1382(8) 0.7930(4) 0.029(3) Uani 1 1 d . . .
C15 C 0.6702(7) 0.2166(8) 0.7285(3) 0.028(3) Uani 1 1 d . . .
H16A H 0.6512 0.1589 0.7195 0.034 Uiso 1 1 calc R . .
H16B H 0.6471 0.2436 0.7111 0.034 Uiso 1 1 calc R . .
C17 C 0.7654(8) 0.2500(7) 0.7344(3) 0.023(3) Uani 1 1 d . . .
C18 C 0.9362(7) 0.3575(7) 0.8241(3) 0.016(3) Uani 1 1 d . . .
C19 C 0.9683(8) 0.4281(7) 0.8095(3) 0.024(3) Uani 1 1 d . . .
C20 C 1.0443(8) 0.4424(8) 0.7977(3) 0.026(3) Uani 1 1 d . . .
H23A H 1.0645 0.4881 0.7870 0.031 Uiso 1 1 calc R . .
C21 C 1.0897(8) 0.3904(8) 0.8015(3) 0.029(3) Uani 1 1 d . . .
C22 C 1.0550(7) 0.3186(8) 0.8159(3) 0.026(3) Uani 1 1 d . . .
H25A H 1.0853 0.2827 0.8185 0.031 Uiso 1 1 calc R . .
C23 C 0.9789(7) 0.3010(8) 0.8258(3) 0.020(3) Uani 1 1 d . . .
C24 C 1.1766(8) 0.4103(8) 0.7896(3) 0.032(3) Uani 1 1 d . . .
H27A H 1.1992 0.3671 0.7932 0.048 Uiso 1 1 calc R . .
H27B H 1.2160 0.4607 0.8027 0.048 Uiso 1 1 calc R . .
H27C H 1.1684 0.4155 0.7656 0.048 Uiso 1 1 calc R . .
C25 C 0.9164(8) 0.4842(8) 0.8037(3) 0.028(3) Uani 1 1 d . . .
H28A H 0.9381 0.5187 0.7871 0.034 Uiso 1 1 calc R . .
H28B H 0.8578 0.4510 0.7937 0.034 Uiso 1 1 calc R . .
C27 C 1.0041(7) 0.5773(7) 0.8567(3) 0.026(3) Uani 1 1 d . . .
H29A H 1.0085 0.6308 0.8676 0.032 Uiso 1 1 calc R . .
H29B H 1.0454 0.5852 0.8418 0.032 Uiso 1 1 calc R . .
C29 C 1.0275(8) 0.5301(8) 0.8843(4) 0.036(4) Uani 1 1 d . . .
C26 C 0.8751(8) 0.5952(7) 0.8269(4) 0.028(3) Uani 1 1 d . . .
H31A H 0.8918 0.6162 0.8063 0.034 Uiso 1 1 calc R . .
H31B H 0.8955 0.6408 0.8455 0.034 Uiso 1 1 calc R . .
C28 C 0.7806(9) 0.5625(8) 0.8209(3) 0.026(3) Uani 1 1 d . . .
C30 C 0.9459(6) 0.2273(7) 0.8424(3) 0.019(3) Uani 1 1 d . . .
H33A H 0.9415 0.2450 0.8657 0.023 Uiso 1 1 calc R . .
H33B H 0.9874 0.1994 0.8442 0.023 Uiso 1 1 calc R . .
C31 C 0.8645(7) 0.1258(7) 0.7909(3) 0.018(3) Uani 1 1 d . . .
H34A H 0.8979 0.0901 0.7948 0.022 Uiso 1 1 calc R . .
H34B H 0.8924 0.1660 0.7774 0.022 Uiso 1 1 calc R . .
C33 C 0.7759(7) 0.0763(9) 0.7714(3) 0.026(3) Uani 1 1 d . . .
C32 C 0.8329(9) 0.1082(8) 0.8476(3) 0.027(3) Uani 1 1 d . . .
H36A H 0.8807 0.0927 0.8577 0.032 Uiso 1 1 calc R . .
H36B H 0.7891 0.0595 0.8344 0.032 Uiso 1 1 calc R . .
C34 C 0.7975(8) 0.1414(8) 0.8762(3) 0.029(3) Uani 1 1 d . . .
Ho3 Ho 0.83929(3) -0.03174(3) 1.043633(14) 0.01823(14) Uani 1 1 d . . .
Ho4 Ho 0.74984(3) -0.00165(3) 1.123253(15) 0.02036(15) Uani 1 1 d . . .
O1B O 0.7698(5) 0.0445(5) 1.0710(2) 0.0204(16) Uani 1 1 d U . .
O2B O 0.6868(5) 0.0357(5) 1.1683(2) 0.021(2) Uani 1 1 d . . .
O3B O 0.6122(5) 0.1088(5) 1.1876(2) 0.023(2) Uani 1 1 d . . .
O4B O 0.8925(5) 0.0791(5) 1.1466(2) 0.028(2) Uani 1 1 d . . .
O5B O 0.9906(6) 0.1958(6) 1.1754(3) 0.046(3) Uani 1 1 d . . .
O6B O 0.7332(5) -0.1586(5) 1.0235(2) 0.022(2) Uani 1 1 d . . .
O7B O 0.6490(5) -0.2501(5) 0.9786(2) 0.030(2) Uani 1 1 d . . .
O8B O 0.8811(5) 0.0911(5) 1.0224(2) 0.021(2) Uani 1 1 d . . .
O9B O 0.8562(5) 0.1782(5) 0.9892(2) 0.033(2) Uani 1 1 d . . .
O11B O 0.8004(5) -0.0891(5) 1.0921(2) 0.0191(19) Uani 1 1 d . . .
O12B O 0.9714(5) 0.0490(5) 1.0794(2) 0.026(2) Uani 1 1 d . . .
O13B O 1.1099(6) 0.0738(5) 1.0978(2) 0.040(3) Uani 1 1 d . . .
O14B O 0.8864(5) -0.0776(5) 0.9957(2) 0.021(2) Uani 1 1 d . . .
O15B O 0.9091(5) -0.1802(6) 0.9663(2) 0.032(2) Uani 1 1 d . . .
O16B O 0.6159(5) -0.0156(5) 1.0925(2) 0.027(2) Uani 1 1 d . . .
O17B O 0.4728(5) -0.0638(5) 1.0851(2) 0.030(2) Uani 1 1 d . . .
O18B O 0.7946(5) -0.0682(5) 1.1668(2) 0.028(2) Uani 1 1 d . . .
O19B O 0.7749(7) -0.1666(8) 1.1981(3) 0.080(5) Uani 1 1 d . . .
N1B N 0.7735(6) 0.1522(6) 1.1364(2) 0.022(3) Uani 1 1 d . . .
N2B N 0.7299(6) -0.0287(5) 0.9926(3) 0.019(2) Uani 1 1 d . . .
N11B N 0.9421(6) -0.1092(6) 1.0572(2) 0.021(2) Uani 1 1 d . . .
N12B N 0.6364(6) -0.1381(6) 1.1261(2) 0.020(2) Uani 1 1 d . . .
C1B C 0.7285(7) 0.0914(7) 1.0570(3) 0.0202(17) Uani 1 1 d U . .
C2B C 0.7376(7) 0.1692(8) 1.0748(3) 0.024(3) Uani 1 1 d . . .
C3B C 0.6963(9) 0.2190(8) 1.0582(4) 0.039(4) Uani 1 1 d . . .
H3B H 0.7054 0.2709 1.0695 0.047 Uiso 1 1 calc R . .
C4B C 0.6441(9) 0.1949(8) 1.0266(4) 0.033(3) Uani 1 1 d . . .
C5B C 0.6333(9) 0.1172(9) 1.0099(3) 0.033(3) Uani 1 1 d . . .
H5B H 0.5994 0.1000 0.9879 0.040 Uiso 1 1 calc R . .
C6B C 0.6712(8) 0.0639(7) 1.0247(3) 0.023(3) Uani 1 1 d . . .
C7B C 0.5984(11) 0.2481(9) 1.0100(4) 0.055(5) Uani 1 1 d . . .
H7B1 H 0.5646 0.2200 0.9879 0.082 Uiso 1 1 calc R . .
H7B2 H 0.6397 0.2984 1.0071 0.082 Uiso 1 1 calc R . .
H7B3 H 0.5619 0.2596 1.0245 0.082 Uiso 1 1 calc R . .
C8B C 0.8004(9) 0.2018(7) 1.1077(3) 0.031(3) Uani 1 1 d . . .
H8B1 H 0.8059 0.2582 1.1146 0.037 Uiso 1 1 calc R . .
H8B2 H 0.8557 0.2006 1.1043 0.037 Uiso 1 1 calc R . .
C9B C 0.6941(8) 0.1595(8) 1.1445(4) 0.029(3) Uani 1 1 d . . .
H9B1 H 0.6522 0.1496 1.1234 0.034 Uiso 1 1 calc R . .
H9B2 H 0.7049 0.2142 1.1560 0.034 Uiso 1 1 calc R . .
C10B C 0.6583(7) 0.0936(7) 1.1692(3) 0.020(3) Uani 1 1 d . . .
C11B C 0.8429(7) 0.1846(8) 1.1663(3) 0.024(3) Uani 1 1 d U . .
H11C H 0.8216 0.1692 1.1869 0.029 Uiso 1 1 calc R . .
H11D H 0.8642 0.2438 1.1688 0.029 Uiso 1 1 calc R . .
C12B C 0.9159(8) 0.1518(8) 1.1626(3) 0.030(3) Uani 1 1 d . . .
C13B C 0.6558(7) -0.0170(8) 1.0059(3) 0.026(3) Uani 1 1 d . . .
H13C H 0.6088 -0.0281 0.9865 0.031 Uiso 1 1 calc R . .
H13D H 0.6379 -0.0572 1.0210 0.031 Uiso 1 1 calc R . .
C14B C 0.6997(8) -0.1102(7) 0.9708(3) 0.027(3) Uani 1 1 d . . .
H14C H 0.7394 -0.1117 0.9558 0.033 Uiso 1 1 calc R . .
H14D H 0.6445 -0.1189 0.9564 0.033 Uiso 1 1 calc R . .
C15B C 0.6921(8) -0.1783(8) 0.9930(3) 0.027(3) Uani 1 1 d . . .
C16B C 0.7663(7) 0.0384(7) 0.9734(3) 0.022(3) Uani 1 1 d . . .
H16C H 0.7216 0.0583 0.9635 0.026 Uiso 1 1 calc R . .
H16D H 0.7877 0.0176 0.9546 0.026 Uiso 1 1 calc R . .
C17B C 0.8385(7) 0.1090(7) 0.9962(3) 0.020(3) Uani 1 1 d . . .
C21B C 0.7905(8) -0.1682(7) 1.0956(3) 0.021(3) Uani 1 1 d . . .
C22B C 0.8584(7) -0.1957(7) 1.0944(3) 0.0212(17) Uani 1 1 d U . .
C23B C 0.8496(7) -0.2757(7) 1.0982(3) 0.0211(17) Uani 1 1 d U . .
H23B H 0.8960 -0.2931 1.0975 0.025 Uiso 1 1 calc R . .
C24B C 0.7723(8) -0.3316(8) 1.1030(3) 0.026(3) Uani 1 1 d . . .
C25B C 0.7048(7) -0.3034(8) 1.1029(3) 0.023(3) Uani 1 1 d . . .
H25B H 0.6527 -0.3393 1.1055 0.027 Uiso 1 1 calc R . .
C26B C 0.7116(8) -0.2229(8) 1.0990(3) 0.022(3) Uani 1 1 d . . .
C27B C 0.7637(8) -0.4191(8) 1.1082(3) 0.032(3) Uani 1 1 d . . .
H27D H 0.8170 -0.4274 1.1075 0.048 Uiso 1 1 calc R . .
H27E H 0.7201 -0.4564 1.0901 0.048 Uiso 1 1 calc R . .
H27F H 0.7485 -0.4287 1.1301 0.048 Uiso 1 1 calc R . .
C28B C 0.9439(7) -0.1409(7) 1.0914(3) 0.0212(17) Uani 1 1 d U . .
H28C H 0.9838 -0.1705 1.0938 0.025 Uiso 1 1 calc R . .
H28D H 0.9639 -0.0951 1.1099 0.025 Uiso 1 1 calc R . .
C29B C 1.0292(7) -0.0458(7) 1.0589(3) 0.021(3) Uani 1 1 d . . .
H29C H 1.0733 -0.0672 1.0681 0.026 Uiso 1 1 calc R . .
H29D H 1.0359 -0.0347 1.0359 0.026 Uiso 1 1 calc R . .
C30B C 1.0398(8) 0.0312(8) 1.0810(3) 0.024(3) Uani 1 1 d U . .
C31B C 0.9241(7) -0.1736(7) 1.0278(3) 0.024(3) Uani 1 1 d . . .
H31C H 0.8752 -0.2198 1.0297 0.029 Uiso 1 1 calc R . .
H31D H 0.9727 -0.1920 1.0283 0.029 Uiso 1 1 calc R . .
C32B C 0.9056(8) -0.1428(9) 0.9935(3) 0.026(3) Uani 1 1 d . . .
C33B C 0.6356(7) -0.1970(8) 1.0959(3) 0.028(3) Uani 1 1 d . . .
H33C H 0.5851 -0.2451 1.0931 0.034 Uiso 1 1 calc R . .
H33D H 0.6311 -0.1718 1.0753 0.034 Uiso 1 1 calc R . .
C34B C 0.5529(7) -0.1267(8) 1.1214(3) 0.029(3) Uani 1 1 d . . .
H34C H 0.5433 -0.1082 1.1437 0.035 Uiso 1 1 calc R . .
H34D H 0.5085 -0.1788 1.1123 0.035 Uiso 1 1 calc R . .
C35B C 0.5461(8) -0.0655(7) 1.0974(3) 0.023(3) Uani 1 1 d . . .
C36B C 0.6558(7) -0.1677(7) 1.1585(3) 0.024(3) Uani 1 1 d . . .
H36C H 0.6376 -0.2268 1.1541 0.029 Uiso 1 1 calc R . .
H36D H 0.6225 -0.1532 1.1741 0.029 Uiso 1 1 calc R . .
C37B C 0.7472(8) -0.1357(8) 1.1758(3) 0.028(3) Uani 1 1 d . . .
Ho5 Ho 0.83004(4) -0.12963(3) 0.549250(15) 0.02255(15) Uani 1 1 d . . .
Ho6 Ho 0.73058(4) -0.10518(3) 0.627046(15) 0.02274(15) Uani 1 1 d . . .
O1C O 0.7557(5) -0.0588(5) 0.5747(2) 0.027(2) Uani 1 1 d . . .
O2C O 0.6646(5) -0.0678(5) 0.6716(2) 0.024(2) Uani 1 1 d . . .
O3C O 0.5827(6) 0.0012(6) 0.6858(2) 0.041(3) Uani 1 1 d . . .
O4C O 0.8717(5) -0.0270(5) 0.6526(2) 0.028(2) Uani 1 1 d . . .
O5C O 0.9662(6) 0.0827(6) 0.6858(3) 0.061(4) Uani 1 1 d . . .
O6C O 0.8749(5) -0.0064(5) 0.5265(2) 0.030(2) Uani 1 1 d . . .
O7C O 0.8507(7) 0.0817(6) 0.4930(3) 0.048(3) Uani 1 1 d . . .
O8C O 0.7304(6) -0.2574(6) 0.5250(2) 0.035(2) Uani 1 1 d . . .
O9C O 0.6612(7) -0.3476(6) 0.4785(3) 0.048(3) Uani 1 1 d . . .
O11C O 0.7812(5) -0.1902(5) 0.5958(2) 0.025(2) Uani 1 1 d . . .
O12C O 0.8880(5) -0.1701(5) 0.5026(2) 0.025(2) Uani 1 1 d . . .
O13C O 0.9289(6) -0.2646(6) 0.4766(2) 0.035(2) Uani 1 1 d . . .
O14C O 0.9576(6) -0.0483(5) 0.5871(2) 0.028(2) Uani 1 1 d . . .
O15C O 1.0945(6) -0.0245(5) 0.6107(3) 0.039(3) Uani 1 1 d . . .
O16C O 0.5963(5) -0.1164(6) 0.5959(2) 0.035(2) Uani 1 1 d . . .
O17C O 0.4558(6) -0.1662(7) 0.5873(3) 0.057(3) Uani 1 1 d . . .
O18C O 0.7752(5) -0.1715(5) 0.6704(2) 0.028(2) Uani 1 1 d . . .
O19C O 0.7575(7) -0.2824(6) 0.6982(3) 0.061(4) Uani 1 1 d . . .
N1C N 0.7548(6) 0.0473(6) 0.6402(3) 0.024(3) Uani 1 1 d . . .
N2C N 0.7246(6) -0.1268(7) 0.4960(3) 0.029(3) Uani 1 1 d . . .
N11C N 0.9310(6) -0.2053(6) 0.5640(3) 0.023(3) Uani 1 1 d . . .
N12C N 0.6158(7) -0.2403(6) 0.6295(3) 0.032(3) Uani 1 1 d . . .
C1C C 0.7171(7) -0.0098(7) 0.5605(3) 0.0218(17) Uani 1 1 d U . .
C2C C 0.7297(7) 0.0683(7) 0.5777(3) 0.0218(17) Uani 1 1 d U . .
C3C C 0.6904(8) 0.1162(8) 0.5631(3) 0.030(3) Uani 1 1 d . . .
H3C H 0.6967 0.1662 0.5755 0.036 Uiso 1 1 calc R . .
C4C C 0.6397(8) 0.0935(9) 0.5296(4) 0.036(4) Uani 1 1 d . . .
C5C C 0.6274(9) 0.0166(9) 0.5130(4) 0.035(4) Uani 1 1 d . . .
H5C H 0.5919 -0.0015 0.4914 0.042 Uiso 1 1 calc R . .
C6C C 0.6658(8) -0.0335(9) 0.5275(4) 0.040(4) Uani 1 1 d . . .
C7C C 0.5997(12) 0.1541(11) 0.5132(5) 0.065(5) Uani 1 1 d . . .
H7C1 H 0.6170 0.2041 0.5289 0.098 Uiso 1 1 calc R . .
H7C2 H 0.5385 0.1301 0.5085 0.098 Uiso 1 1 calc R . .
H7C3 H 0.6188 0.1651 0.4920 0.098 Uiso 1 1 calc R . .
C8C C 0.7824(7) 0.0961(7) 0.6127(3) 0.0216(17) Uani 1 1 d U . .
H8C1 H 0.7852 0.1516 0.6198 0.026 Uiso 1 1 calc R . .
H8C2 H 0.8399 0.0979 0.6114 0.026 Uiso 1 1 calc R . .
C9C C 0.6748(7) 0.0553(7) 0.6470(3) 0.024(3) Uani 1 1 d . . .
H9C1 H 0.6346 0.0464 0.6255 0.029 Uiso 1 1 calc R . .
H9C2 H 0.6854 0.1098 0.6587 0.029 Uiso 1 1 calc R . .
C10C C 0.6370(7) -0.0090(8) 0.6701(3) 0.028(3) Uani 1 1 d . . .
C11C C 0.8233(7) 0.0811(8) 0.6720(3) 0.031(3) Uani 1 1 d . . .
H11E H 0.8474 0.1401 0.6737 0.037 Uiso 1 1 calc R . .
H11F H 0.7994 0.0682 0.6923 0.037 Uiso 1 1 calc R . .
C12C C 0.8910(8) 0.0444(8) 0.6698(4) 0.033(4) Uani 1 1 d . . .
C13C C 0.6510(8) -0.1131(7) 0.5088(3) 0.026(3) Uani 1 1 d . . .
H13E H 0.6050 -0.1233 0.4891 0.032 Uiso 1 1 calc R . .
H13F H 0.6313 -0.1536 0.5236 0.032 Uiso 1 1 calc R . .
C14C C 0.7626(9) -0.0599(9) 0.4775(3) 0.033(4) Uani 1 1 d . . .
H14E H 0.7183 -0.0406 0.4667 0.039 Uiso 1 1 calc R . .
H14F H 0.7863 -0.0802 0.4594 0.039 Uiso 1 1 calc R . .
C15C C 0.8325(8) 0.0111(9) 0.5010(4) 0.030(3) Uani 1 1 d . . .
C16C C 0.6974(9) -0.2081(10) 0.4735(4) 0.046(4) Uani 1 1 d . . .
H16E H 0.7368 -0.2058 0.4580 0.055 Uiso 1 1 calc R . .
H16F H 0.6413 -0.2184 0.4596 0.055 Uiso 1 1 calc R . .
C17C C 0.6942(8) -0.2786(9) 0.4937(4) 0.029(3) Uani 1 1 d . . .
C21C C 0.7729(9) -0.2690(8) 0.5994(3) 0.027(3) Uani 1 1 d . . .
C22C C 0.6932(7) -0.3229(8) 0.6022(3) 0.023(3) Uani 1 1 d . . .
C23C C 0.6868(9) -0.4037(8) 0.6062(3) 0.031(3) Uani 1 1 d . . .
H23C H 0.6340 -0.4394 0.6082 0.037 Uiso 1 1 calc R . .
C24C C 0.7523(9) -0.4329(8) 0.6073(3) 0.031(3) Uani 1 1 d . . .
C25C C 0.8317(9) -0.3782(9) 0.6030(3) 0.032(3) Uani 1 1 d . . .
H25C H 0.8780 -0.3962 0.6029 0.039 Uiso 1 1 calc R . .
C26C C 0.8404(8) -0.2994(8) 0.5990(3) 0.025(3) Uani 1 1 d . . .
C27C C 0.7415(10) -0.5227(9) 0.6129(4) 0.045(4) Uani 1 1 d . . .
H27G H 0.7950 -0.5314 0.6135 0.067 Uiso 1 1 calc R . .
H27H H 0.6994 -0.5597 0.5944 0.067 Uiso 1 1 calc R . .
H27I H 0.7234 -0.5320 0.6344 0.067 Uiso 1 1 calc R . .
C28C C 0.9281(8) -0.2409(9) 0.5966(3) 0.032(3) Uani 1 1 d . . .
H28E H 0.9463 -0.1967 0.6158 0.039 Uiso 1 1 calc R . .
H28F H 0.9685 -0.2699 0.5991 0.039 Uiso 1 1 calc R . .
C29C C 0.9196(10) -0.2702(8) 0.5355(3) 0.035(4) Uani 1 1 d . . .
H29E H 0.8687 -0.3164 0.5352 0.042 Uiso 1 1 calc R . .
H29F H 0.9683 -0.2887 0.5381 0.042 Uiso 1 1 calc R . .
C30C C 0.9113(7) -0.2347(9) 0.5030(3) 0.029(4) Uani 1 1 d . . .
C31C C 1.0188(8) -0.1456(8) 0.5697(4) 0.033(3) Uani 1 1 d . . .
H31E H 1.0338 -0.1335 0.5477 0.040 Uiso 1 1 calc R . .
H31F H 1.0590 -0.1685 0.5813 0.040 Uiso 1 1 calc R . .
C32C C 1.0238(9) -0.0675(8) 0.5915(4) 0.032(3) Uani 1 1 d . . .
C33C C 0.6147(7) -0.2971(7) 0.5985(3) 0.026(3) Uani 1 1 d . . .
H33E H 0.6113 -0.2702 0.5783 0.031 Uiso 1 1 calc R . .
H33F H 0.5640 -0.3454 0.5950 0.031 Uiso 1 1 calc R . .
C34C C 0.5322(8) -0.2277(8) 0.6239(3) 0.034(4) Uani 1 1 d . . .
H34E H 0.5215 -0.2098 0.6461 0.040 Uiso 1 1 calc R . .
H34F H 0.4878 -0.2796 0.6144 0.040 Uiso 1 1 calc R . .
C35C C 0.5262(8) -0.1668(9) 0.6005(4) 0.036(4) Uani 1 1 d . . .
C36C C 0.6373(9) -0.2712(7) 0.6628(3) 0.034(4) Uani 1 1 d . . .
H36E H 0.6073 -0.2543 0.6794 0.041 Uiso 1 1 calc R . .
H36F H 0.6165 -0.3305 0.6587 0.041 Uiso 1 1 calc R . .
C37C C 0.7303(10) -0.2422(10) 0.6784(4) 0.045(4) Uani 1 1 d U . .
Ho7 Ho 1.23281(3) 0.67075(4) 0.689548(15) 0.02047(15) Uani 1 1 d . . .
Ho8 Ho 1.14840(4) 0.46352(4) 0.634211(15) 0.02432(16) Uani 1 1 d . . .
O1D O 1.1126(5) 0.5576(5) 0.6664(2) 0.027(2) Uani 1 1 d . . .
O2D O 1.2231(5) 0.4068(5) 0.6737(2) 0.030(2) Uani 1 1 d . . .
O3D O 1.2306(6) 0.2994(6) 0.6982(3) 0.037(2) Uani 1 1 d . . .
O4D O 1.0002(5) 0.4235(5) 0.6091(2) 0.031(2) Uani 1 1 d . . .
O5D O 0.8648(6) 0.3475(6) 0.6042(3) 0.040(3) Uani 1 1 d . . .
O6D O 1.2624(5) 0.7972(5) 0.7245(2) 0.024(2) Uani 1 1 d . . .
O7D O 1.2151(5) 0.8825(6) 0.7536(3) 0.036(3) Uani 1 1 d . . .
O8D O 1.2216(6) 0.7094(7) 0.6346(2) 0.047(3) Uani 1 1 d . A .
O9DA O 1.1555(10) 0.7574(12) 0.5934(4) 0.061(7) Uani 0.71(2) 1 d P A 1
O9DB O 1.2087(17) 0.8315(17) 0.6115(7) 0.018(8) Uani 0.29(2) 1 d PU A 2
O11D O 1.2707(5) 0.5684(5) 0.6651(2) 0.023(2) Uani 1 1 d . . .
O12D O 1.1280(5) 0.3354(5) 0.6042(2) 0.029(2) Uani 1 1 d . . .
O13D O 1.1879(6) 0.2406(5) 0.5949(3) 0.037(2) Uani 1 1 d . . .
O14D O 1.1462(5) 0.5346(5) 0.5866(2) 0.031(2) Uani 1 1 d . . .
O15D O 1.1486(6) 0.5321(6) 0.5316(2) 0.041(3) Uani 1 1 d . . .
O16D O 1.1696(5) 0.6304(5) 0.7355(2) 0.027(2) Uani 1 1 d . . .
O17D O 1.1720(5) 0.6403(5) 0.7924(2) 0.030(2) Uani 1 1 d . . .
O18D O 1.3714(5) 0.7427(5) 0.6863(2) 0.023(2) Uani 1 1 d . . .
O19D O 1.5130(5) 0.7947(5) 0.7080(2) 0.032(2) Uani 1 1 d . . .
N1D N 1.0535(6) 0.3667(7) 0.6674(3) 0.029(3) Uani 1 1 d . . .
N2D N 1.1165(7) 0.7341(6) 0.6780(3) 0.023(2) Uani 1 1 d . . .
N11D N 1.2629(6) 0.4595(6) 0.5993(3) 0.023(3) Uani 1 1 d . . .
N12D N 1.3398(5) 0.6645(6) 0.7416(3) 0.021(2) Uani 1 1 d . . .
C1D C 1.0377(7) 0.5445(7) 0.6785(3) 0.027(3) Uani 1 1 d . . .
C2D C 1.0061(9) 0.4742(8) 0.6940(3) 0.030(3) Uani 1 1 d . . .
C3D C 0.9290(8) 0.4634(9) 0.7051(4) 0.035(4) Uani 1 1 d . . .
H3D H 0.9065 0.4174 0.7153 0.042 Uiso 1 1 calc R . .
C4D C 0.8849(7) 0.5174(9) 0.7019(3) 0.033(4) Uani 1 1 d . . .
C5D C 0.9208(7) 0.5872(8) 0.6879(3) 0.028(3) Uani 1 1 d . . .
H5D H 0.8933 0.6256 0.6864 0.034 Uiso 1 1 calc R . .
C6D C 0.9965(8) 0.6014(8) 0.6762(3) 0.026(3) Uani 1 1 d U . .
C7D C 0.8003(8) 0.5019(9) 0.7153(4) 0.044(4) Uani 1 1 d . . .
H7D1 H 0.7860 0.4509 0.7242 0.067 Uiso 1 1 calc R . .
H7D2 H 0.7552 0.4997 0.6968 0.067 Uiso 1 1 calc R . .
H7D3 H 0.8072 0.5454 0.7333 0.067 Uiso 1 1 calc R . .
C8D C 1.0534(7) 0.4171(7) 0.6991(3) 0.020(3) Uani 1 1 d U . .
C9D C 1.0934(7) 0.3052(8) 0.6775(4) 0.030(3) Uani 1 1 d . . .
H9D1 H 1.0742 0.2593 0.6590 0.036 Uiso 1 1 calc R . .
H9D2 H 1.0741 0.2851 0.6978 0.036 Uiso 1 1 calc R . .
C10D C 1.1892(8) 0.3385(9) 0.6850(3) 0.027(3) Uani 1 1 d . . .
C11D C 0.9652(8) 0.3262(8) 0.6475(3) 0.026(3) Uani 1 1 d . . .
H11G H 0.9257 0.3225 0.6630 0.031 Uiso 1 1 calc R . .
H11H H 0.9589 0.2710 0.6380 0.031 Uiso 1 1 calc R . .
C12D C 0.9412(7) 0.3698(8) 0.6183(3) 0.029(3) Uani 1 1 d . . .
C13D C 1.0305(8) 0.6766(8) 0.6598(3) 0.029(3) Uani 1 1 d . . .
H13G H 1.0338 0.6597 0.6363 0.034 Uiso 1 1 calc R . .
H13H H 0.9902 0.7057 0.6588 0.034 Uiso 1 1 calc R . .
C14D C 1.1143(7) 0.7760(8) 0.7108(4) 0.031(3) Uani 1 1 d . . .
H14G H 1.0834 0.7364 0.7240 0.037 Uiso 1 1 calc R . .
H14H H 1.0837 0.8139 0.7068 0.037 Uiso 1 1 calc R . .
C15D C 1.2021(7) 0.8218(8) 0.7314(3) 0.022(3) Uani 1 1 d . . .
C16D C 1.1477(9) 0.7934(10) 0.6538(4) 0.047(4) Uani 1 1 d . A .
H16G H 1.1927 0.8416 0.6668 0.057 Uiso 1 1 calc R . .
H16H H 1.1011 0.8103 0.6434 0.057 Uiso 1 1 calc R . .
C17D C 1.1812(11) 0.7569(13) 0.6257(4) 0.072(7) Uani 1 1 d . . .
C21D C 1.3464(7) 0.5563(6) 0.6735(4) 0.023(3) Uani 1 1 d . . .
C22D C 1.3847(7) 0.5380(8) 0.6464(3) 0.027(3) Uani 1 1 d . . .
C23D C 1.4649(8) 0.5276(8) 0.6544(4) 0.035(4) Uani 1 1 d . . .
H23D H 1.4912 0.5170 0.6365 0.042 Uiso 1 1 calc R . .
C24D C 1.5062(8) 0.5329(7) 0.6886(4) 0.026(3) Uani 1 1 d . . .
C25D C 1.4642(8) 0.5517(8) 0.7158(3) 0.031(3) Uani 1 1 d U . .
C26D C 1.3863(7) 0.5633(8) 0.7073(3) 0.024(3) Uani 1 1 d . . .
C27D C 1.5901(8) 0.5191(9) 0.6977(4) 0.038(4) Uani 1 1 d . . .
H27J H 1.6066 0.5249 0.7223 0.057 Uiso 1 1 calc R . .
H27K H 1.6329 0.5586 0.6889 0.057 Uiso 1 1 calc R . .
H27L H 1.5843 0.4651 0.6876 0.057 Uiso 1 1 calc R . .
C28D C 1.3424(7) 0.5298(7) 0.6090(3) 0.022(3) Uani 1 1 d . . .
H28G H 1.3300 0.5792 0.6052 0.026 Uiso 1 1 calc R . .
H28H H 1.3815 0.5239 0.5944 0.026 Uiso 1 1 calc R . .
C29D C 1.2736(7) 0.3803(7) 0.6015(3) 0.022(3) Uani 1 1 d . . .
H29G H 1.3124 0.3838 0.6228 0.026 Uiso 1 1 calc R . .
H29H H 1.2990 0.3668 0.5825 0.026 Uiso 1 1 calc R . .
C30D C 1.1898(8) 0.3130(8) 0.6002(3) 0.029(3) Uani 1 1 d . . .
C31D C 1.2237(8) 0.4583(8) 0.5627(3) 0.034(4) Uani 1 1 d . . .
H31G H 1.1890 0.4028 0.5525 0.041 Uiso 1 1 calc R . .
H31H H 1.2683 0.4776 0.5496 0.041 Uiso 1 1 calc R . .
C32D C 1.1686(8) 0.5124(9) 0.5609(4) 0.034(4) Uani 1 1 d . . .
C33D C 1.3442(8) 0.5798(7) 0.7361(3) 0.022(3) Uani 1 1 d . . .
H33G H 1.3749 0.5704 0.7573 0.027 Uiso 1 1 calc R . .
H33H H 1.2866 0.5408 0.7318 0.027 Uiso 1 1 calc R . .
C34D C 1.3050(7) 0.6730(7) 0.7739(3) 0.022(3) Uani 1 1 d . . .
H34G H 1.3287 0.7297 0.7847 0.026 Uiso 1 1 calc R . .
H34H H 1.3241 0.6407 0.7899 0.026 Uiso 1 1 calc R . .
C35D C 1.2069(8) 0.6460(7) 0.7677(3) 0.023(3) Uani 1 1 d . . .
C36D C 1.4244(7) 0.7275(8) 0.7436(4) 0.033(4) Uani 1 1 d . . .
H36G H 1.4685 0.7051 0.7517 0.040 Uiso 1 1 calc R . .
H36H H 1.4307 0.7737 0.7605 0.040 Uiso 1 1 calc R . .
C37D C 1.4386(8) 0.7582(8) 0.7090(4) 0.029(3) Uani 1 1 d U . .
Na1 Na 0.3471(3) -0.0111(3) 0.77571(12) 0.0262(12) Uani 1 1 d . . .
Na2 Na 0.6296(3) -0.0883(3) 0.72732(13) 0.0290(13) Uani 1 1 d . . .
Na3 Na 0.8409(3) 0.7886(3) 0.90857(13) 0.0314(13) Uani 1 1 d . . .
Na4 Na 0.6421(3) 0.7977(3) 0.86654(14) 0.0359(14) Uani 1 1 d . . .
Na5 Na 0.4718(3) 0.0978(3) 1.17585(13) 0.0303(13) Uani 1 1 d . . .
Na6 Na 1.0220(3) -0.2277(3) 0.95727(14) 0.0352(14) Uani 1 1 d . . .
Na7 Na 0.8200(4) 0.2348(3) 0.94292(14) 0.0385(14) Uani 1 1 d . . .
Na8 Na 1.0000 0.5000 0.5000 0.055(3) Uani 1 2 d S . .
Na9 Na 1.0311(3) 0.2062(3) 0.57313(14) 0.0340(13) Uani 1 1 d . . .
Na10 Na 1.1511(4) 0.1119(3) 0.60545(15) 0.0421(15) Uani 1 1 d . . .
Na11 Na 0.9543(5) 0.3898(4) 1.00101(17) 0.067(2) Uani 1 1 d . . .
Na12 Na 0.5647(5) -0.0428(5) 0.7721(2) 0.086(3) Uani 1 1 d . . .
Na13 Na 0.6703(5) 0.2054(5) 0.9208(2) 0.091(3) Uani 1 1 d . . .
Na14 Na 1.4058(5) 0.9360(5) 0.7317(2) 0.090(3) Uani 1 1 d . . .
Na15 Na 1.0183(5) 0.2082(5) 1.1016(2) 0.093(3) Uani 1 1 d . . .
Na16 Na 0.7607(5) 0.7601(5) 0.8498(2) 0.087(3) Uani 1 1 d . . .
Na17 Na 0.7319(5) 0.2801(6) 0.6429(2) 0.027(2) Uani 0.50 1 d P . .
O1W O 1.0086(6) 0.1153(5) 0.6165(2) 0.038(3) Uani 1 1 d . . .
O2W O 0.3963(5) -0.0278(5) 1.1420(2) 0.033(2) Uani 1 1 d . . .
O3W O 1.0523(5) 0.0831(5) 0.5485(2) 0.032(2) Uani 1 1 d . . .
O4W O 0.4861(5) 0.1769(6) 1.1274(3) 0.037(2) Uani 1 1 d . . .
O5W O 0.5892(6) 0.8051(6) 0.8092(2) 0.040(3) Uani 1 1 d . . .
O6W O 0.7300(7) 0.9338(6) 0.8808(3) 0.048(3) Uani 1 1 d . . .
O7W O 0.6682(6) 0.7336(6) 0.9118(2) 0.041(3) Uani 1 1 d . . .
O8W O 0.9350(6) -0.3603(6) 0.9661(3) 0.051(3) Uani 1 1 d . . .
O9W O 0.8949(6) 0.2030(6) 0.5496(3) 0.054(3) Uani 1 1 d . . .
O10W O 1.1093(8) 0.6471(7) 0.5530(3) 0.079(4) Uani 1 1 d . . .
O11W O 1.1138(6) -0.3162(6) 0.9543(3) 0.048(3) Uani 1 1 d . . .
O12W O 0.9719(7) 0.3138(7) 0.9429(3) 0.064(3) Uani 1 1 d . . .
O13W O 1.1992(9) 0.1399(7) 0.6661(3) 0.072(4) Uani 1 1 d . . .
O14W O 0.5606(8) 0.2201(10) 0.6272(4) 0.115(6) Uani 1 1 d . . .
O15W O 0.3000(8) 0.0882(8) 0.7446(3) 0.077(4) Uani 1 1 d . . .
O16W O 0.9703(8) 0.5382(8) 0.5594(3) 0.077(4) Uani 1 1 d . . .
O17W O 0.5064(9) 0.6582(7) 0.8222(3) 0.075(4) Uani 1 1 d . . .
O18W O 1.4068(9) 0.8877(10) 0.6576(4) 0.118(7) Uani 1 1 d . . .
O19W O 1.0312(8) 0.6351(7) 0.4891(4) 0.071(4) Uani 1 1 d . . .
O20W O 0.6837(12) -0.1776(10) 0.7577(3) 0.113(6) Uani 1 1 d . . .
O21W O 1.3015(9) 0.1276(11) 0.6071(4) 0.103(5) Uani 1 1 d . . .
O22W O 1.0295(10) 0.4900(8) 0.9629(4) 0.095(5) Uani 1 1 d . . .
O23W O 0.8177(16) 0.9063(15) 0.8203(6) 0.195(9) Uani 1 1 d U . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ho Ho -0.2175 4.6783 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O8 Ho2 O1 109.1(3) . .
O8 Ho2 O6 132.6(3) . .
O1 Ho2 O6 79.3(3) . .
O8 Ho2 O10 75.3(3) . .
O1 Ho2 O10 69.8(3) . .
O6 Ho2 O10 144.9(3) . .
O8 Ho2 O17 146.7(3) . .
O1 Ho2 O17 87.1(3) . .
O6 Ho2 O17 77.8(3) . .
O10 Ho2 O17 84.1(3) . .
O8 Ho2 O15 79.3(3) . .
O1 Ho2 O15 151.9(3) . .
O6 Ho2 O15 75.8(3) . .
O10 Ho2 O15 137.5(3) . .
O17 Ho2 O15 100.1(3) . .
O8 Ho2 N4 83.4(3) . .
O1 Ho2 N4 140.0(3) . .
O6 Ho2 N4 120.5(3) . .
O10 Ho2 N4 77.6(3) . .
O17 Ho2 N4 66.6(3) . .
O15 Ho2 N4 66.1(3) . .
O8 Ho2 N2 67.3(3) . .
O1 Ho2 N2 82.4(3) . .
O6 Ho2 N2 67.9(3) . .
O10 Ho2 N2 122.0(3) . .
O17 Ho2 N2 145.4(3) . .
O15 Ho2 N2 76.3(3) . .
N4 Ho2 N2 136.0(3) . .
O8 Ho2 Ho1 97.5(2) . .
O1 Ho2 Ho1 35.77(19) . .
O6 Ho2 Ho1 111.1(2) . .
O10 Ho2 Ho1 34.95(19) . .
O17 Ho2 Ho1 78.6(2) . .
O15 Ho2 Ho1 172.28(18) . .
N4 Ho2 Ho1 106.6(2) . .
N2 Ho2 Ho1 109.1(2) . .
O10 Ho1 O1 69.5(3) . .
O10 Ho1 O2 92.6(3) . .
O1 Ho1 O2 93.5(3) . .
O10 Ho1 O12 108.1(3) . .
O1 Ho1 O12 73.1(3) . .
O2 Ho1 O12 148.6(3) . .
O10 Ho1 O4 156.4(3) . .
O1 Ho1 O4 133.0(3) . .
O2 Ho1 O4 92.7(3) . .
O12 Ho1 O4 77.7(3) . .
O10 Ho1 O13 80.6(3) . .
O1 Ho1 O13 148.0(3) . .
O2 Ho1 O13 75.9(3) . .
O12 Ho1 O13 129.5(3) . .
O4 Ho1 O13 78.4(3) . .
O10 Ho1 N3 82.9(3) . .
O1 Ho1 N3 118.9(3) . .
O2 Ho1 N3 142.6(3) . .
O12 Ho1 N3 65.4(3) . .
O4 Ho1 N3 78.9(3) . .
O13 Ho1 N3 66.7(3) . .
O10 Ho1 N1 138.4(3) . .
O1 Ho1 N1 76.6(3) . .
O2 Ho1 N1 65.7(3) . .
O12 Ho1 N1 83.4(3) . .
O4 Ho1 N1 64.0(3) . .
O13 Ho1 N1 123.2(3) . .
N3 Ho1 N1 135.9(3) . .
O10 Ho1 Ho2 35.22(17) . .
O1 Ho1 Ho2 35.2(2) . .
O2 Ho1 Ho2 87.8(2) . .
O12 Ho1 Ho2 95.8(2) . .
O4 Ho1 Ho2 168.11(19) . .
O13 Ho1 Ho2 113.2(2) . .
N3 Ho1 Ho2 107.7(2) . .
N1 Ho1 Ho2 105.7(2) . .
C1 O1 Ho2 126.3(8) . .
C1 O1 Ho1 123.3(7) . .
Ho2 O1 Ho1 109.0(3) . .
C12 O4 Ho1 118.0(8) . .
C12 O5 Na3 153.4(8) . .
C11 O2 Ho1 123.2(8) . .
C11 O2 Na7 83.3(7) . .
Ho1 O2 Na7 150.2(4) . .
C11 O3 Na11 127.8(8) . .
C11 O3 Na7 91.3(8) . .
Na11 O3 Na7 88.4(4) . .
C16 O6 Ho2 125.1(7) . .
C16 O7 Na1 147.0(9) . .
C17 O8 Ho2 125.5(7) . .
C17 O9 Na17 125.6(9) . .
C18 O10 Ho1 126.2(7) . .
C18 O10 Ho2 121.9(7) . .
Ho1 O10 Ho2 109.8(3) . .
C29 O13 Ho1 126.7(9) . .
C28 O12 Ho1 123.5(8) . .
C28 O11 Na16 115.0(9) . .
C33 O15 Ho2 120.2(8) . .
C33 O15 Na12 109.1(8) . .
Ho2 O15 Na12 126.7(3) . .
C33 O16 Na2 125.2(8) . .
C34 O17 Ho2 125.2(8) . .
C34 O17 Na13 102.9(7) . .
Ho2 O17 Na13 129.0(4) . .
C34 O17 Na7 74.5(7) . .
Ho2 O17 Na7 152.0(4) . .
Na13 O17 Na7 48.8(2) . .
C34 O18 Na7 102.5(9) . .
C10 N1 C8 110.2(10) . .
C10 N1 C9 108.9(10) . .
C8 N1 C9 110.6(9) . .
C10 N1 Ho1 104.7(6) . .
C8 N1 Ho1 114.0(8) . .
C9 N1 Ho1 108.2(6) . .
C14 N2 C15 111.1(9) . .
C14 N2 C13 109.8(10) . .
C15 N2 C13 107.9(9) . .
C14 N2 Ho2 114.2(7) . .
C15 N2 Ho2 108.3(7) . .
C13 N2 Ho2 105.2(7) . .
C26 N3 C27 112.7(10) . .
C26 N3 C25 111.3(10) . .
C27 N3 C25 112.5(10) . .
C26 N3 Ho1 107.1(7) . .
C27 N3 Ho1 110.5(7) . .
C25 N3 Ho1 102.1(7) . .
C32 N4 C31 110.7(9) . .
C32 N4 C30 107.1(9) . .
C31 N4 C30 112.9(8) . .
C32 N4 Ho2 104.6(7) . .
C31 N4 Ho2 106.4(7) . .
C30 N4 Ho2 114.9(7) . .
O1 C1 C6 120.8(11) . .
O1 C1 C2 119.6(13) . .
C6 C1 C2 119.7(12) . .
C1 C2 C3 120.8(13) . .
C1 C2 C8 120.9(12) . .
C3 C2 C8 118.3(12) . .
C4 C3 C2 119.4(12) . .
C3 C4 C5 119.8(12) . .
C3 C4 C7 121.5(11) . .
C5 C4 C7 118.7(13) . .
C6 C5 C4 120.0(14) . .
C1 C6 C5 120.3(13) . .
C1 C6 C13 121.0(12) . .
C5 C6 C13 118.6(14) . .
N1 C8 C2 115.3(10) . .
N1 C10 C12 109.9(10) . .
O5 C12 O4 122.4(10) . .
O5 C12 C10 119.9(11) . .
O4 C12 C10 117.7(11) . .
N1 C9 C11 110.4(10) . .
O3 C11 O2 123.0(13) . .
O3 C11 C9 118.7(12) . .
O2 C11 C9 118.3(12) . .
O3 C11 Na7 62.6(7) . .
O2 C11 Na7 69.3(7) . .
C9 C11 Na7 148.5(8) . .
C6 C13 N2 113.8(10) . .
N2 C14 C16 110.0(11) . .
O7 C16 O6 124.2(13) . .
O7 C16 C14 116.5(13) . .
O6 C16 C14 119.3(10) . .
C17 C15 N2 114.3(10) . .
O9 C17 O8 124.4(12) . .
O9 C17 C15 120.2(12) . .
O8 C17 C15 115.4(10) . .
O10 C18 C19 120.4(11) . .
O10 C18 C23 119.4(9) . .
C19 C18 C23 120.2(11) . .
C20 C19 C18 119.2(12) . .
C20 C19 C25 120.6(11) . .
C18 C19 C25 120.0(10) . .
C21 C20 C19 121.0(12) . .
C20 C21 C22 118.5(11) . .
C20 C21 C24 119.8(11) . .
C22 C21 C24 121.7(12) . .
C23 C22 C21 121.5(13) . .
C22 C23 C18 119.3(11) . .
C22 C23 C30 120.4(12) . .
C18 C23 C30 119.9(9) . .
N3 C25 C19 115.1(11) . .
N3 C27 C29 114.5(9) . .
O13 C29 O14 127.8(14) . .
O13 C29 C27 117.6(12) . .
O14 C29 C27 113.6(10) . .
N3 C26 C28 115.2(10) . .
O12 C28 O11 123.6(13) . .
O12 C28 C26 117.4(12) . .
O11 C28 C26 119.0(12) . .
C23 C30 N4 115.6(10) . .
N4 C31 C33 110.7(9) . .
O16 C33 O15 121.9(11) . .
O16 C33 C31 121.2(11) . .
O15 C33 C31 116.9(12) . .
N4 C32 C34 112.7(10) . .
O18 C34 O17 128.9(13) . .
O18 C34 C32 118.1(13) . .
O17 C34 C32 112.9(11) . .
O18 C34 Na7 53.0(7) . .
O17 C34 Na7 80.6(8) . .
C32 C34 Na7 151.5(9) . .
O8B Ho3 O6B 134.4(3) . .
O8B Ho3 O11B 142.7(3) . .
O6B Ho3 O11B 73.2(3) . .
O8B Ho3 O1B 76.8(3) . .
O6B Ho3 O1B 104.1(3) . .
O11B Ho3 O1B 71.1(3) . .
O8B Ho3 O14B 82.6(3) . .
O6B Ho3 O14B 78.3(3) . .
O11B Ho3 O14B 133.4(3) . .
O1B Ho3 O14B 153.0(3) . .
O8B Ho3 O12B 73.8(3) . .
O6B Ho3 O12B 150.3(3) . .
O11B Ho3 O12B 87.7(3) . .
O1B Ho3 O12B 90.3(3) . .
O14B Ho3 O12B 100.6(3) . .
O8B Ho3 N2B 68.5(3) . .
O6B Ho3 N2B 66.8(3) . .
O11B Ho3 N2B 122.3(3) . .
O1B Ho3 N2B 80.2(3) . .
O14B Ho3 N2B 76.1(3) . .
O12B Ho3 N2B 142.3(3) . .
O8B Ho3 N11B 121.3(3) . .
O6B Ho3 N11B 87.1(3) . .
O11B Ho3 N11B 77.0(3) . .
O1B Ho3 N11B 141.0(3) . .
O14B Ho3 N11B 65.4(3) . .
O12B Ho3 N11B 66.2(3) . .
N2B Ho3 N11B 137.2(3) . .
O8B Ho3 Ho4 108.7(2) . .
O6B Ho3 Ho4 92.63(19) . .
O11B Ho3 Ho4 35.8(2) . .
O1B Ho3 Ho4 35.81(18) . .
O14B Ho3 Ho4 168.73(19) . .
O12B Ho3 Ho4 83.9(2) . .
N2B Ho3 Ho4 106.7(2) . .
N11B Ho3 Ho4 107.9(2) . .
O16B Ho4 O1B 73.2(3) . .
O16B Ho4 O18B 132.4(3) . .
O1B Ho4 O18B 146.7(3) . .
O16B Ho4 O11B 106.7(3) . .
O1B Ho4 O11B 71.5(3) . .
O18B Ho4 O11B 79.5(3) . .
O16B Ho4 O4B 150.3(3) . .
O1B Ho4 O4B 88.1(3) . .
O18B Ho4 O4B 74.7(3) . .
O11B Ho4 O4B 88.3(3) . .
O16B Ho4 O2B 79.7(3) . .
O1B Ho4 O2B 133.6(3) . .
O18B Ho4 O2B 78.0(3) . .
O11B Ho4 O2B 154.0(3) . .
O4B Ho4 O2B 98.3(3) . .
O16B Ho4 N12B 67.1(3) . .
O1B Ho4 N12B 121.7(3) . .
O18B Ho4 N12B 67.5(3) . .
O11B Ho4 N12B 80.9(3) . .
O4B Ho4 N12B 142.0(3) . .
O2B Ho4 N12B 78.5(3) . .
O16B Ho4 N1B 86.7(3) . .
O1B Ho4 N1B 76.6(3) . .
O18B Ho4 N1B 119.5(3) . .
O11B Ho4 N1B 139.6(3) . .
O4B Ho4 N1B 66.3(3) . .
O2B Ho4 N1B 64.7(3) . .
N12B Ho4 N1B 138.3(3) . .
O16B Ho4 Ho3 94.2(2) . .
O1B Ho4 Ho3 36.0(2) . .
O18B Ho4 Ho3 112.2(2) . .
O11B Ho4 Ho3 36.01(19) . .
O4B Ho4 Ho3 82.9(2) . .
O2B Ho4 Ho3 169.6(2) . .
N12B Ho4 Ho3 106.9(2) . .
N1B Ho4 Ho3 106.91(18) . .
C1B O1B Ho4 122.3(6) . .
C1B O1B Ho3 127.6(7) . .
Ho4 O1B Ho3 108.2(3) . .
C10B O2B Ho4 124.1(7) . .
C10B O2B Na1 89.8(7) . 2_657
Ho4 O2B Na1 146.1(4) . 2_657
C10B O3B Na5 131.5(9) . .
C10B O3B Na1 85.8(7) . 2_657
Na5 O3B Na1 117.7(3) . 2_657
C12B O4B Ho4 124.2(8) . .
C15B O6B Ho3 123.0(7) . .
C17B O8B Ho3 124.9(7) . .
C17B O8B Na6 96.0(7) . 2_757
Ho3 O8B Na6 137.4(4) . 2_757
C17B O9B Na7 135.1(9) . .
C17B O9B Na6 89.6(8) . 2_757
Na7 O9B Na6 133.9(4) . 2_757
C21B O11B Ho4 127.0(6) . .
C21B O11B Ho3 123.0(6) . .
Ho4 O11B Ho3 108.2(3) . .
C30B O12B Ho3 123.4(8) . .
C30B O12B Na15 107.2(8) . .
Ho3 O12B Na15 125.5(4) . .
C30B O13B Na3 117.8(8) . 2_767
C32B O14B Ho3 122.5(8) . .
C32B O15B Na3 139.4(9) . 1_545
C32B O15B Na6 125.2(9) . .
Na3 O15B Na6 94.6(4) 1_545 .
C35B O16B Ho4 124.0(8) . .
C35B O17B Na13 119.1(8) . 2_657
C37B O18B Ho4 125.4(8) . .
C11B N1B C9B 110.6(9) . .
C11B N1B C8B 107.0(9) . .
C9B N1B C8B 110.6(10) . .
C11B N1B Ho4 106.2(7) . .
C9B N1B Ho4 107.2(7) . .
C8B N1B Ho4 115.2(7) . .
C16B N2B C14B 112.2(9) . .
C16B N2B C13B 109.7(9) . .
C14B N2B C13B 108.2(9) . .
C16B N2B Ho3 111.1(7) . .
C14B N2B Ho3 107.4(7) . .
C13B N2B Ho3 108.1(7) . .
C31B N11B C28B 112.9(9) . .
C31B N11B C29B 109.3(8) . .
C28B N11B C29B 107.1(9) . .
C31B N11B Ho3 107.4(7) . .
C28B N11B Ho3 115.8(7) . .
C29B N11B Ho3 103.8(7) . .
C36B N12B C34B 111.7(9) . .
C36B N12B C33B 110.9(10) . .
C34B N12B C33B 108.2(10) . .
C36B N12B Ho4 111.2(7) . .
C34B N12B Ho4 108.2(7) . .
C33B N12B Ho4 106.5(7) . .
O1B C1B C6B 121.2(11) . .
O1B C1B C2B 121.0(11) . .
C6B C1B C2B 117.7(12) . .
C3B C2B C1B 119.2(12) . .
C3B C2B C8B 121.0(12) . .
C1B C2B C8B 119.1(12) . .
C4B C3B C2B 123.5(14) . .
C3B C4B C5B 116.7(13) . .
C3B C4B C7B 122.4(14) . .
C5B C4B C7B 120.9(14) . .
C4B C5B C6B 123.2(13) . .
C5B C6B C1B 119.3(12) . .
C5B C6B C13B 120.2(13) . .
C1B C6B C13B 120.4(12) . .
C2B C8B N1B 111.7(10) . .
N1B C9B C10B 109.1(10) . .
O3B C10B O2B 128.7(11) . .
O3B C10B C9B 116.9(11) . .
O2B C10B C9B 114.2(10) . .
O3B C10B Na1 67.7(7) . 2_657
O2B C10B Na1 62.9(6) . 2_657
C9B C10B Na1 159.9(9) . 2_657
N1B C11B C12B 110.7(10) . .
O5B C12B O4B 125.8(14) . .
O5B C12B C11B 119.1(13) . .
O4B C12B C11B 115.1(11) . .
C6B C13B N2B 115.9(9) . .
N2B C14B C15B 111.0(11) . .
O6B C15B O7B 125.5(11) . .
O6B C15B C14B 117.2(11) . .
O7B C15B C14B 117.2(12) . .
N2B C16B C17B 112.3(10) . .
O9B C17B O8B 122.2(11) . .
O9B C17B C16B 121.2(11) . .
O8B C17B C16B 116.6(10) . .
O9B C17B Na6 65.1(7) . 2_757
O8B C17B Na6 57.1(6) . 2_757
C16B C17B Na6 173.7(9) . 2_757
O11B C21B C22B 119.3(10) . .
O11B C21B C26B 121.0(11) . .
C22B C21B C26B 119.6(11) . .
C23B C22B C21B 120.0(11) . .
C23B C22B C28B 117.5(11) . .
C21B C22B C28B 122.4(11) . .
C22B C23B C24B 122.0(11) . .
C25B C24B C23B 116.8(12) . .
C25B C24B C27B 121.5(11) . .
C23B C24B C27B 121.7(12) . .
C24B C25B C26B 122.7(10) . .
C25B C26B C21B 118.9(11) . .
C25B C26B C33B 120.8(10) . .
C21B C26B C33B 120.1(11) . .
C22B C28B N11B 111.9(10) . .
C30B C29B N11B 111.2(9) . .
O13B C30B O12B 125.0(13) . .
O13B C30B C29B 120.6(12) . .
O12B C30B C29B 114.4(11) . .
O13B C30B Na3 41.8(6) . 2_767
O12B C30B Na3 94.4(7) . 2_767
C29B C30B Na3 136.5(7) . 2_767
N11B C31B C32B 111.3(10) . .
O15B C32B O14B 124.2(13) . .
O15B C32B C31B 120.6(12) . .
O14B C32B C31B 115.2(11) . .
C26B C33B N12B 114.6(10) . .
N12B C34B C35B 112.7(9) . .
O17B C35B O16B 124.1(11) . .
O17B C35B C34B 118.6(10) . .
O16B C35B C34B 117.2(11) . .
N12B C36B C37B 115.1(9) . .
O19B C37B O18B 121.5(13) . .
O19B C37B C36B 121.9(11) . .
O18B C37B C36B 116.4(11) . .
O1C Ho5 O8C 106.0(3) . .
O1C Ho5 O11C 69.5(3) . .
O8C Ho5 O11C 74.6(3) . .
O1C Ho5 O6C 79.7(3) . .
O8C Ho5 O6C 131.4(3) . .
O11C Ho5 O6C 145.1(3) . .
O1C Ho5 O14C 90.4(3) . .
O8C Ho5 O14C 150.6(3) . .
O11C Ho5 O14C 89.2(3) . .
O6C Ho5 O14C 74.8(3) . .
O1C Ho5 O12C 153.4(3) . .
O8C Ho5 O12C 76.8(3) . .
O11C Ho5 O12C 134.7(3) . .
O6C Ho5 O12C 79.2(3) . .
O14C Ho5 O12C 99.4(3) . .
O1C Ho5 N11C 141.2(3) . .
O8C Ho5 N11C 85.6(3) . .
O11C Ho5 N11C 78.6(3) . .
O6C Ho5 N11C 120.5(3) . .
O14C Ho5 N11C 67.0(3) . .
O12C Ho5 N11C 64.8(3) . .
O1C Ho5 N2C 80.5(3) . .
O8C Ho5 N2C 66.0(3) . .
O11C Ho5 N2C 120.7(3) . .
O6C Ho5 N2C 67.6(3) . .
O14C Ho5 N2C 142.2(3) . .
O12C Ho5 N2C 76.6(3) . .
N11C Ho5 N2C 136.4(3) . .
O1C Ho5 Ho6 35.7(2) . .
O8C Ho5 Ho6 95.6(2) . .
O11C Ho5 Ho6 34.8(2) . .
O6C Ho5 Ho6 111.3(2) . .
O14C Ho5 Ho6 83.5(2) . .
O12C Ho5 Ho6 169.4(2) . .
N11C Ho5 Ho6 107.7(2) . .
N2C Ho5 Ho6 107.4(2) . .
O11C Ho6 O18C 80.2(3) . .
O11C Ho6 O4C 88.8(3) . .
O18C Ho6 O4C 72.4(3) . .
O11C Ho6 O16C 107.1(3) . .
O18C Ho6 O16C 133.4(3) . .
O4C Ho6 O16C 150.7(3) . .
O11C Ho6 O1C 69.4(3) . .
O18C Ho6 O1C 144.7(3) . .
O4C Ho6 O1C 89.0(3) . .
O16C Ho6 O1C 74.6(3) . .
O11C Ho6 O2C 155.2(3) . .
O18C Ho6 O2C 79.0(3) . .
O4C Ho6 O2C 97.5(3) . .
O16C Ho6 O2C 78.4(3) . .
O1C Ho6 O2C 134.4(3) . .
O11C Ho6 N12C 82.0(3) . .
O18C Ho6 N12C 68.3(3) . .
O4C Ho6 N12C 140.6(3) . .
O16C Ho6 N12C 67.4(4) . .
O1C Ho6 N12C 122.3(3) . .
O2C Ho6 N12C 77.9(3) . .
O11C Ho6 N1C 138.7(3) . .
O18C Ho6 N1C 119.3(3) . .
O4C Ho6 N1C 66.7(3) . .
O16C Ho6 N1C 85.9(3) . .
O1C Ho6 N1C 77.2(3) . .
O2C Ho6 N1C 64.7(3) . .
N12C Ho6 N1C 137.8(3) . .
O11C Ho6 Ho5 35.5(2) . .
O18C Ho6 Ho5 111.2(2) . .
O4C Ho6 Ho5 82.5(2) . .
O16C Ho6 Ho5 96.3(2) . .
O1C Ho6 Ho5 34.9(2) . .
O2C Ho6 Ho5 169.1(2) . .
N12C Ho6 Ho5 109.0(2) . .
N1C Ho6 Ho5 105.73(19) . .
C1C O1C Ho5 127.6(7) . .
C1C O1C Ho6 121.8(7) . .
Ho5 O1C Ho6 109.5(4) . .
C10C O2C Ho6 120.1(7) . .
C10C O2C Na2 92.5(7) . .
Ho6 O2C Na2 147.1(4) . .
C10C O3C Na2 85.3(8) . .
C12C O4C Ho6 121.6(8) . .
C15C O6C Ho5 124.6(8) . .
C17C O8C Ho5 125.7(9) . .
C21C O11C Ho6 126.7(7) . .
C21C O11C Ho5 122.8(7) . .
Ho6 O11C Ho5 109.7(4) . .
C30C O12C Ho5 119.3(7) . .
C30C O13C Na9 131.0(9) . 2_756
C32C O14C Ho5 122.9(9) . .
C32C O15C Na10 118.6(8) . .
C35C O16C Ho6 123.5(9) . .
C37C O18C Ho6 126.4(9) . .
C9C N1C C8C 109.4(9) . .
C9C N1C C11C 109.7(10) . .
C8C N1C C11C 107.6(8) . .
C9C N1C Ho6 107.4(6) . .
C8C N1C Ho6 115.5(7) . .
C11C N1C Ho6 107.3(7) . .
C14C N2C C13C 108.9(10) . .
C14C N2C C16C 111.2(11) . .
C13C N2C C16C 111.1(10) . .
C14C N2C Ho5 111.4(8) . .
C13C N2C Ho5 106.4(7) . .
C16C N2C Ho5 107.7(8) . .
C29C N11C C31C 109.4(10) . .
C29C N11C C28C 109.0(10) . .
C31C N11C C28C 103.9(10) . .
C29C N11C Ho5 110.5(8) . .
C31C N11C Ho5 107.3(8) . .
C28C N11C Ho5 116.4(7) . .
C34C N12C C33C 106.6(10) . .
C34C N12C C36C 114.3(10) . .
C33C N12C C36C 112.2(10) . .
C34C N12C Ho6 108.0(8) . .
C33C N12C Ho6 105.2(6) . .
C36C N12C Ho6 110.1(7) . .
O1C C1C C6C 120.9(12) . .
O1C C1C C2C 121.3(12) . .
C6C C1C C2C 117.8(12) . .
C3C C2C C1C 120.3(13) . .
C3C C2C C8C 119.6(12) . .
C1C C2C C8C 120.1(11) . .
C2C C3C C4C 122.4(13) . .
C5C C4C C3C 116.8(13) . .
C5C C4C C7C 123.2(15) . .
C3C C4C C7C 120.1(15) . .
C6C C5C C4C 121.7(15) . .
C5C C6C C1C 120.9(14) . .
C5C C6C C13C 119.1(15) . .
C1C C6C C13C 119.9(13) . .
C2C C8C N1C 117.5(9) . .
N1C C9C C10C 108.9(10) . .
O3C C10C O2C 124.5(11) . .
O3C C10C C9C 118.1(12) . .
O2C C10C C9C 117.4(10) . .
O3C C10C Na2 68.2(7) . .
O2C C10C Na2 60.4(6) . .
C9C C10C Na2 157.8(9) . .
C12C C11C N1C 108.8(11) . .
O5C C12C O4C 120.6(12) . .
O5C C12C C11C 119.6(13) . .
O4C C12C C11C 119.8(11) . .
C6C C13C N2C 117.1(10) . .
N2C C14C C15C 112.4(11) . .
O7C C15C O6C 123.1(14) . .
O7C C15C C14C 119.9(13) . .
O6C C15C C14C 116.6(12) . .
N2C C16C C17C 113.3(12) . .
O9C C17C O8C 127.0(14) . .
O9C C17C C16C 118.3(13) . .
O8C C17C C16C 114.6(13) . .
O11C C21C C22C 119.0(12) . .
O11C C21C C26C 122.4(11) . .
C22C C21C C26C 118.5(12) . .
C21C C22C C23C 117.7(12) . .
C21C C22C C33C 121.4(12) . .
C23C C22C C33C 120.8(10) . .
C24C C23C C22C 124.4(12) . .
C23C C24C C25C 117.1(13) . .
C23C C24C C27C 121.8(13) . .
C25C C24C C27C 121.2(13) . .
C26C C25C C24C 120.2(13) . .
C25C C26C C21C 122.0(12) . .
C25C C26C C28C 118.8(12) . .
C21C C26C C28C 119.0(12) . .
N11C C28C C26C 114.6(11) . .
N11C C29C C30C 107.0(11) . .
O13C C30C O12C 120.3(12) . .
O13C C30C C29C 120.4(14) . .
O12C C30C C29C 119.3(12) . .
N11C C31C C32C 109.7(11) . .
O14C C32C O15C 125.1(14) . .
O14C C32C C31C 116.1(13) . .
O15C C32C C31C 118.6(13) . .
O14C C32C Na10 95.3(8) . .
O15C C32C Na10 40.5(6) . .
C31C C32C Na10 134.2(8) . .
N12C C33C C22C 112.7(11) . .
N12C C34C C35C 114.0(10) . .
O17C C35C O16C 123.5(15) . .
O17C C35C C34C 119.3(12) . .
O16C C35C C34C 117.2(13) . .
C37C C36C N12C 114.4(10) . .
O19C C37C O18C 126.2(15) . .
O19C C37C C36C 119.0(13) . .
O18C C37C C36C 114.7(13) . .
O11D Ho7 O18D 80.0(3) . .
O11D Ho7 O16D 109.8(3) . .
O18D Ho7 O16D 132.1(3) . .
O11D Ho7 O1D 69.6(3) . .
O18D Ho7 O1D 146.0(3) . .
O16D Ho7 O1D 74.5(3) . .
O11D Ho7 O8D 85.2(3) . .
O18D Ho7 O8D 75.8(3) . .
O16D Ho7 O8D 149.1(3) . .
O1D Ho7 O8D 86.6(4) . .
O11D Ho7 O6D 153.2(3) . .
O18D Ho7 O6D 76.4(3) . .
O16D Ho7 O6D 78.0(3) . .
O1D Ho7 O6D 136.3(3) . .
O8D Ho7 O6D 101.0(4) . .
O11D Ho7 N2D 139.1(3) . .
O18D Ho7 N2D 120.5(3) . .
O16D Ho7 N2D 83.2(3) . .
O1D Ho7 N2D 77.6(3) . .
O8D Ho7 N2D 68.8(3) . .
O6D Ho7 N2D 65.8(3) . .
O11D Ho7 N12D 82.2(3) . .
O18D Ho7 N12D 68.0(3) . .
O16D Ho7 N12D 67.3(3) . .
O1D Ho7 N12D 120.3(3) . .
O8D Ho7 N12D 143.2(3) . .
O6D Ho7 N12D 77.4(3) . .
N2D Ho7 N12D 136.9(3) . .
O11D Ho7 Ho8 35.78(19) . .
O18D Ho7 Ho8 112.5(2) . .
O16D Ho7 Ho8 96.7(2) . .
O1D Ho7 Ho8 34.5(2) . .
O8D Ho7 Ho8 79.6(3) . .
O6D Ho7 Ho8 170.78(19) . .
N2D Ho7 Ho8 106.3(2) . .
N12D Ho7 Ho8 107.8(2) . .
O1D Ho8 O12D 155.9(3) . .
O1D Ho8 O2D 105.8(3) . .
O12D Ho8 O2D 76.9(3) . .
O1D Ho8 O11D 69.0(3) . .
O12D Ho8 O11D 132.5(3) . .
O2D Ho8 O11D 71.7(3) . .
O1D Ho8 O14D 91.4(3) . .
O12D Ho8 O14D 97.9(3) . .
O2D Ho8 O14D 148.7(3) . .
O11D Ho8 O14D 91.3(3) . .
O1D Ho8 O4D 80.5(3) . .
O12D Ho8 O4D 80.2(3) . .
O2D Ho8 O4D 131.5(3) . .
O11D Ho8 O4D 146.8(3) . .
O14D Ho8 O4D 76.2(3) . .
O1D Ho8 N1D 81.7(3) . .
O12D Ho8 N1D 77.5(3) . .
O2D Ho8 N1D 66.4(3) . .
O11D Ho8 N1D 118.7(3) . .
O14D Ho8 N1D 143.5(3) . .
O4D Ho8 N1D 67.3(3) . .
O1D Ho8 N11D 138.7(3) . .
O12D Ho8 N11D 65.0(3) . .
O2D Ho8 N11D 83.8(3) . .
O11D Ho8 N11D 76.8(3) . .
O14D Ho8 N11D 66.5(3) . .
O4D Ho8 N11D 123.1(3) . .
N1D Ho8 N11D 136.6(3) . .
O1D Ho8 Ho7 35.20(18) . .
O12D Ho8 Ho7 166.8(2) . .
O2D Ho8 Ho7 92.9(2) . .
O11D Ho8 Ho7 34.5(2) . .
O14D Ho8 Ho7 86.4(2) . .
O4D Ho8 Ho7 113.0(2) . .
N1D Ho8 Ho7 106.3(2) . .
N11D Ho8 Ho7 106.0(2) . .
C1D O1D Ho8 126.7(7) . .
C1D O1D Ho7 121.1(7) . .
Ho8 O1D Ho7 110.3(3) . .
C10D O2D Ho8 124.5(8) . .
C12D O4D Ho8 125.1(9) . .
C12D O5D Na17 120.4(8) . .
C15D O6D Ho7 121.2(8) . .
C15D O6D Na14 106.5(7) . .
Ho7 O6D Na14 127.0(3) . .
C15D O7D Na1 126.7(8) . 1_665
C17D O8D Ho7 122.4(9) . .
C21D O11D Ho7 126.7(7) . .
C21D O11D Ho8 121.5(7) . .
Ho7 O11D Ho8 109.7(3) . .
C30D O12D Ho8 121.5(8) . .
C30D O12D Na9 89.7(8) . .
Ho8 O12D Na9 148.8(4) . .
C30D O13D Na10 152.9(9) . .
C30D O13D Na9 85.4(8) . .
Na10 O13D Na9 84.4(3) . .
C32D O14D Ho8 120.1(10) . .
C32D O15D Na8 124.5(8) . .
C35D O16D Ho7 126.5(7) . .
C37D O18D Ho7 128.1(7) . .
C37D O19D Na2 146.5(9) . 1_665
C8D N1D C11D 110.5(9) . .
C8D N1D C9D 108.1(10) . .
C11D N1D C9D 111.0(10) . .
C8D N1D Ho8 105.9(7) . .
C11D N1D Ho8 112.4(7) . .
C9D N1D Ho8 108.9(7) . .
C14D N2D C13D 112.8(9) . .
C14D N2D C16D 111.5(11) . .
C13D N2D C16D 106.4(10) . .
C14D N2D Ho7 106.8(8) . .
C13D N2D Ho7 115.6(8) . .
C16D N2D Ho7 103.5(8) . .
C29D N11D C28D 114.7(10) . .
C29D N11D C31D 107.0(10) . .
C28D N11D C31D 108.5(9) . .
C29D N11D Ho8 105.9(6) . .
C28D N11D Ho8 114.5(7) . .
C31D N11D Ho8 105.5(7) . .
C36D N12D C33D 111.3(9) . .
C36D N12D C34D 112.0(9) . .
C33D N12D C34D 107.6(9) . .
C36D N12D Ho7 110.8(8) . .
C33D N12D Ho7 105.3(7) . .
C34D N12D Ho7 109.5(7) . .
O1D C1D C6D 119.6(11) . .
O1D C1D C2D 118.9(12) . .
C6D C1D C2D 121.4(12) . .
C3D C2D C1D 116.3(14) . .
C3D C2D C8D 122.2(12) . .
C1D C2D C8D 121.5(12) . .
C4D C3D C2D 123.6(14) . .
C3D C4D C5D 117.7(11) . .
C3D C4D C7D 120.6(12) . .
C5D C4D C7D 121.7(13) . .
C4D C5D C6D 121.7(13) . .
C1D C6D C5D 119.3(11) . .
C1D C6D C13D 121.3(11) . .
C5D C6D C13D 119.4(12) . .
N1D C8D C2D 115.0(11) . .
N1D C9D C10D 113.4(11) . .
O3D C10D O2D 123.5(12) . .
O3D C10D C9D 120.8(12) . .
O2D C10D C9D 115.5(12) . .
N1D C11D C12D 114.0(10) . .
O5D C12D O4D 124.4(13) . .
O5D C12D C11D 117.4(10) . .
O4D C12D C11D 118.1(11) . .
N2D C13D C6D 114.8(10) . .
N2D C14D C15D 111.9(10) . .
O7D C15D O6D 122.5(11) . .
O7D C15D C14D 120.7(11) . .
O6D C15D C14D 116.7(12) . .
N2D C16D C17D 112.3(13) . .
O8D C17D O9DA 119.4(18) . .
O8D C17D O9DB 130.0(17) . .
O9DA C17D O9DB 60.2(14) . .
O8D C17D C16D 115.8(13) . .
O9DA C17D C16D 123.0(16) . .
O9DB C17D C16D 94.0(18) . .
O11D C21D C26D 122.1(11) . .
O11D C21D C22D 117.5(12) . .
C26D C21D C22D 120.4(11) . .
C21D C22D C23D 118.7(12) . .
C21D C22D C28D 121.6(11) . .
C23D C22D C28D 119.6(11) . .
C24D C23D C22D 122.0(11) . .
C23D C24D C25D 117.4(12) . .
C23D C24D C27D 122.9(12) . .
C25D C24D C27D 119.7(13) . .
C26D C25D C24D 119.6(12) . .
C21D C26D C25D 121.9(11) . .
C21D C26D C33D 120.4(11) . .
C25D C26D C33D 117.6(12) . .
N11D C28D C22D 112.2(9) . .
N11D C29D C30D 112.2(10) . .
O12D C30D O13D 126.1(11) . .
O12D C30D C29D 116.1(12) . .
O13D C30D C29D 117.8(12) . .
O12D C30D Na9 62.8(6) . .
O13D C30D Na9 67.2(7) . .
C29D C30D Na9 158.0(9) . .
N11D C31D C32D 110.4(11) . .
O14D C32D O15D 123.5(15) . .
O14D C32D C31D 120.3(14) . .
O15D C32D C31D 116.2(12) . .
C26D C33D N12D 115.1(9) . .
N12D C34D C35D 114.0(10) . .
O17D C35D O16D 126.5(12) . .
O17D C35D C34D 119.0(11) . .
O16D C35D C34D 114.4(10) . .
N12D C36D C37D 113.9(11) . .
O19D C37D O18D 130.1(12) . .
O19D C37D C36D 114.5(12) . .
O18D C37D C36D 115.3(10) . .
O7 Na1 O7D 174.1(4) . 1_445
O7 Na1 Na14 94.8(3) . 1_445
O7D Na1 Na14 88.5(3) 1_445 1_445
O7 Na1 O2B 95.4(3) . 2_657
O7D Na1 O2B 85.0(3) 1_445 2_657
Na14 Na1 O2B 140.5(4) 1_445 2_657
O7 Na1 O15W 82.5(4) . .
O7D Na1 O15W 92.2(4) 1_445 .
Na14 Na1 O15W 98.5(4) 1_445 .
O2B Na1 O15W 120.6(4) 2_657 .
O7 Na1 O3B 97.6(4) . 2_657
O7D Na1 O3B 87.4(3) 1_445 2_657
Na14 Na1 O3B 87.5(3) 1_445 2_657
O2B Na1 O3B 53.4(3) 2_657 2_657
O15W Na1 O3B 174.0(4) . 2_657
O7 Na1 C10B 100.9(4) . 2_657
O7D Na1 C10B 82.2(4) 1_445 2_657
Na14 Na1 C10B 113.2(4) 1_445 2_657
O2B Na1 C10B 27.4(3) 2_657 2_657
O15W Na1 C10B 147.6(5) . 2_657
O3B Na1 C10B 26.5(3) 2_657 2_657
O7 Na1 Na12 64.0(3) . .
O7D Na1 Na12 121.4(3) 1_445 .
Na14 Na1 Na12 45.2(3) 1_445 .
O2B Na1 Na12 108.3(3) 2_657 .
O15W Na1 Na12 122.7(4) . .
O3B Na1 Na12 62.2(2) 2_657 .
C10B Na1 Na12 86.5(3) 2_657 .
O7 Na1 Na5 73.8(3) . 2_657
O7D Na1 Na5 111.8(3) 1_445 2_657
Na14 Na1 Na5 72.8(3) 1_445 2_657
O2B Na1 Na5 73.7(2) 2_657 2_657
O15W Na1 Na5 153.8(4) . 2_657
O3B Na1 Na5 29.41(19) 2_657 2_657
C10B Na1 Na5 51.4(3) 2_657 2_657
Na12 Na1 Na5 35.30(14) . 2_657
O19D Na2 O20W 82.8(6) 1_445 .
O19D Na2 O16 169.8(4) 1_445 .
O20W Na2 O16 87.8(6) . .
O19D Na2 O2C 95.9(3) 1_445 .
O20W Na2 O2C 117.6(4) . .
O16 Na2 O2C 84.9(3) . .
O19D Na2 Na12 92.6(3) 1_445 .
O20W Na2 Na12 97.5(4) . .
O16 Na2 Na12 92.5(3) . .
O2C Na2 Na12 144.6(4) . .
O19D Na2 O3C 96.9(4) 1_445 .
O20W Na2 O3C 170.0(4) . .
O16 Na2 O3C 91.7(4) . .
O2C Na2 O3C 52.4(3) . .
Na12 Na2 O3C 92.5(3) . .
O19D Na2 C10C 102.6(4) 1_445 .
O20W Na2 C10C 143.9(5) . .
O16 Na2 C10C 82.8(4) . .
O2C Na2 C10C 27.0(3) . .
Na12 Na2 C10C 117.6(4) . .
O3C Na2 C10C 26.5(3) . .
O19D Na2 Na14 64.8(3) 1_445 1_445
O20W Na2 Na14 123.8(4) . 1_445
O16 Na2 Na14 124.3(3) . 1_445
O2C Na2 Na14 110.7(3) . 1_445
Na12 Na2 Na14 44.2(3) . 1_445
O3C Na2 Na14 64.2(3) . 1_445
C10C Na2 Na14 89.6(3) . 1_445
O5 Na3 O13B 170.5(4) . 2_767
O5 Na3 O15B 98.0(4) . 1_565
O13B Na3 O15B 90.8(4) 2_767 1_565
O5 Na3 Na16 82.8(4) . .
O13B Na3 Na16 88.2(3) 2_767 .
O15B Na3 Na16 175.2(4) 1_565 .
O5 Na3 Na15 100.4(4) . 2_767
O13B Na3 Na15 84.0(4) 2_767 2_767
O15B Na3 Na15 83.8(4) 1_565 2_767
Na16 Na3 Na15 100.8(3) . 2_767
O5 Na3 O7W 62.5(3) . .
O13B Na3 O7W 112.1(4) 2_767 .
O15B Na3 O7W 103.3(3) 1_565 .
Na16 Na3 O7W 72.8(3) . .
Na15 Na3 O7W 162.0(4) 2_767 .
O5 Na3 C30B 168.6(4) . 2_767
O13B Na3 C30B 20.5(3) 2_767 2_767
O15B Na3 C30B 73.8(4) 1_565 2_767
Na16 Na3 C30B 106.1(3) . 2_767
Na15 Na3 C30B 71.3(3) 2_767 2_767
O7W Na3 C30B 126.5(4) . 2_767
O5 Na3 Na6 88.4(3) . 1_565
O13B Na3 Na6 100.5(3) 2_767 1_565
O15B Na3 Na6 43.2(3) 1_565 1_565
Na16 Na3 Na6 141.6(3) . 1_565
Na15 Na3 Na6 44.4(2) 2_767 1_565
O7W Na3 Na6 134.1(3) . 1_565
C30B Na3 Na6 80.2(3) 2_767 1_565
O5 Na3 Na4 88.5(3) . .
O13B Na3 Na4 83.0(3) 2_767 .
O15B Na3 Na4 131.6(3) 1_565 .
Na16 Na3 Na4 43.6(2) . .
Na15 Na3 Na4 142.3(3) 2_767 .
O7W Na3 Na4 39.4(2) . .
C30B Na3 Na4 102.9(3) 2_767 .
Na6 Na3 Na4 173.2(2) 1_565 .
O7W Na4 O6W 107.5(4) . .
O7W Na4 O5W 155.2(4) . .
O6W Na4 O5W 96.4(4) . .
O7W Na4 O4W 104.0(4) . 2_667
O6W Na4 O4W 95.3(4) . 2_667
O5W Na4 O4W 79.8(4) . 2_667
O7W Na4 Na16 82.2(4) . .
O6W Na4 Na16 90.4(4) . .
O5W Na4 Na16 91.2(4) . .
O4W Na4 Na16 169.8(4) 2_667 .
O7W Na4 O17W 98.0(4) . .
O6W Na4 O17W 154.4(4) . .
O5W Na4 O17W 58.6(3) . .
O4W Na4 O17W 76.1(4) 2_667 .
Na16 Na4 O17W 95.2(4) . .
O7W Na4 Na5 149.8(3) . 2_667
O6W Na4 Na5 75.7(3) . 2_667
O5W Na4 Na5 42.9(3) . 2_667
O4W Na4 Na5 46.3(3) 2_667 2_667
Na16 Na4 Na5 127.9(3) . 2_667
O17W Na4 Na5 81.2(3) . 2_667
O7W Na4 Na3 51.5(3) . .
O6W Na4 Na3 75.8(3) . .
O5W Na4 Na3 132.3(3) . .
O4W Na4 Na3 147.0(3) 2_667 .
Na16 Na4 Na3 42.9(2) . .
O17W Na4 Na3 123.9(3) . .
Na5 Na4 Na3 149.8(2) 2_667 .
O3B Na5 O2W 107.6(4) . .
O3B Na5 O5W 128.2(4) . 2_667
O2W Na5 O5W 124.0(4) . 2_667
O3B Na5 Na12 96.6(3) . 2_657
O2W Na5 Na12 91.4(3) . 2_657
O5W Na5 Na12 86.1(3) 2_667 2_657
O3B Na5 O4W 94.5(3) . .
O2W Na5 O4W 95.6(4) . .
O5W Na5 O4W 78.5(3) 2_667 .
Na12 Na5 O4W 164.5(4) 2_657 .
O3B Na5 Na4 135.2(3) . 2_667
O2W Na5 Na4 95.5(3) . 2_667
O5W Na5 Na4 43.3(3) 2_667 2_667
Na12 Na5 Na4 121.2(3) 2_657 2_667
O4W Na5 Na4 44.4(2) . 2_667
O3B Na5 Na14 56.0(2) . 2_767
O2W Na5 Na14 109.9(3) . 2_767
O5W Na5 Na14 104.4(3) 2_667 2_767
Na12 Na5 Na14 41.4(2) 2_657 2_767
O4W Na5 Na14 145.2(3) . 2_767
Na4 Na5 Na14 147.5(2) 2_667 2_767
O3B Na5 Na1 32.9(2) . 2_657
O2W Na5 Na1 92.4(3) . 2_657
O5W Na5 Na1 136.1(3) 2_667 2_657
Na12 Na5 Na1 67.6(2) 2_657 2_657
O4W Na5 Na1 125.7(3) . 2_657
Na4 Na5 Na1 167.99(17) 2_667 2_657
Na14 Na5 Na1 33.88(14) 2_767 2_657
O15B Na6 O8B 88.0(3) . 2_757
O15B Na6 O8W 87.9(4) . .
O8B Na6 O8W 152.7(4) 2_757 .
O15B Na6 Na15 83.8(4) . 2_757
O8B Na6 Na15 96.8(3) 2_757 2_757
O8W Na6 Na15 109.6(4) . 2_757
O15B Na6 O11W 162.3(4) . .
O8B Na6 O11W 105.9(4) 2_757 .
O8W Na6 O11W 74.7(4) . .
Na15 Na6 O11W 104.9(4) 2_757 .
O15B Na6 O9B 110.2(4) . 2_757
O8B Na6 O9B 52.2(3) 2_757 2_757
O8W Na6 O9B 104.5(4) . 2_757
Na15 Na6 O9B 143.5(3) 2_757 2_757
O11W Na6 O9B 72.1(4) . 2_757
O15B Na6 C17B 100.6(4) . 2_757
O8B Na6 C17B 26.8(3) 2_757 2_757
O8W Na6 C17B 128.8(4) . 2_757
Na15 Na6 C17B 121.4(4) 2_757 2_757
O11W Na6 C17B 88.2(4) . 2_757
O9B Na6 C17B 25.4(3) 2_757 2_757
O15B Na6 Na3 42.2(3) . 1_545
O8B Na6 Na3 106.9(3) 2_757 1_545
O8W Na6 Na3 87.8(3) . 1_545
Na15 Na6 Na3 45.3(2) 2_757 1_545
O11W Na6 Na3 137.7(3) . 1_545
O9B Na6 Na3 150.3(3) 2_757 1_545
C17B Na6 Na3 131.0(3) 2_757 1_545
O15B Na6 Na11 118.0(3) . 2_757
O8B Na6 Na11 120.1(3) 2_757 2_757
O8W Na6 Na11 41.4(3) . 2_757
Na15 Na6 Na11 136.0(3) 2_757 2_757
O11W Na6 Na11 45.4(2) . 2_757
O9B Na6 Na11 68.0(3) 2_757 2_757
C17B Na6 Na11 93.3(3) 2_757 2_757
Na3 Na6 Na11 129.2(2) 1_545 2_757
O9B Na7 O18 92.1(4) . .
O9B Na7 Na13 117.6(4) . .
O18 Na7 Na13 86.6(4) . .
O9B Na7 O3 101.3(4) . .
O18 Na7 O3 166.5(4) . .
Na13 Na7 O3 85.7(4) . .
O9B Na7 O12W 92.3(4) . .
O18 Na7 O12W 97.1(4) . .
Na13 Na7 O12W 149.7(4) . .
O3 Na7 O12W 84.1(4) . .
O9B Na7 O2 148.5(4) . .
O18 Na7 O2 116.3(3) . .
Na13 Na7 O2 79.5(3) . .
O3 Na7 O2 51.3(3) . .
O12W Na7 O2 71.9(3) . .
O9B Na7 C11 127.4(4) . .
O18 Na7 C11 140.5(4) . .
Na13 Na7 C11 74.1(4) . .
O3 Na7 C11 26.1(3) . .
O12W Na7 C11 84.5(4) . .
O2 Na7 C11 27.3(3) . .
O9B Na7 C34 116.4(4) . .
O18 Na7 C34 24.5(3) . .
Na13 Na7 C34 78.5(4) . .
O3 Na7 C34 142.3(4) . .
O12W Na7 C34 92.6(4) . .
O2 Na7 C34 92.0(4) . .
C11 Na7 C34 116.2(5) . .
O9B Na7 O17 140.1(4) . .
O18 Na7 O17 48.4(3) . .
Na13 Na7 O17 63.4(3) . .
O3 Na7 O17 118.1(3) . .
O12W Na7 O17 97.0(4) . .
O2 Na7 O17 70.3(3) . .
C11 Na7 O17 92.1(4) . .
C34 Na7 O17 25.0(3) . .
O9B Na7 Na11 74.4(3) . .
O18 Na7 Na11 144.5(4) . .
Na13 Na7 Na11 128.8(3) . .
O3 Na7 Na11 43.9(3) . .
O12W Na7 Na11 52.1(3) . .
O2 Na7 Na11 74.5(3) . .
C11 Na7 Na11 62.6(3) . .
C34 Na7 Na11 144.4(3) . .
O17 Na7 Na11 139.3(3) . .
O19W Na8 O19W 180.0(7) 2_766 .
O19W Na8 O15D 89.4(4) 2_766 .
O19W Na8 O15D 90.6(4) . .
O19W Na8 O15D 90.6(4) 2_766 2_766
O19W Na8 O15D 89.4(4) . 2_766
O15D Na8 O15D 180.0(2) . 2_766
O19W Na8 O16W 88.7(4) 2_766 .
O19W Na8 O16W 91.3(4) . .
O15D Na8 O16W 84.5(4) . .
O15D Na8 O16W 95.5(4) 2_766 .
O19W Na8 O16W 91.3(4) 2_766 2_766
O19W Na8 O16W 88.7(4) . 2_766
O15D Na8 O16W 95.5(4) . 2_766
O15D Na8 O16W 84.5(4) 2_766 2_766
O16W Na8 O16W 180.0(2) . 2_766
O9W Na9 O13C 85.3(4) . 2_756
O9W Na9 O12D 116.1(4) . .
O13C Na9 O12D 84.0(3) 2_756 .
O9W Na9 O3W 109.1(4) . .
O13C Na9 O3W 87.5(3) 2_756 .
O12D Na9 O3W 132.9(4) . .
O9W Na9 O1W 104.1(4) . .
O13C Na9 O1W 161.9(4) 2_756 .
O12D Na9 O1W 105.0(4) . .
O3W Na9 O1W 74.9(3) . .
O9W Na9 O13D 167.4(4) . .
O13C Na9 O13D 85.7(3) 2_756 .
O12D Na9 O13D 54.0(3) . .
O3W Na9 O13D 79.3(3) . .
O1W Na9 O13D 87.1(3) . .
O9W Na9 C30D 141.1(5) . .
O13C Na9 C30D 78.8(4) 2_756 .
O12D Na9 C30D 27.5(3) . .
O3W Na9 C30D 105.4(4) . .
O1W Na9 C30D 101.7(4) . .
O13D Na9 C30D 27.5(3) . .
O9W Na9 Na10 148.4(3) . .
O13C Na9 Na10 113.7(3) 2_756 .
O12D Na9 Na10 91.7(3) . .
O3W Na9 Na10 50.5(3) . .
O1W Na9 Na10 51.4(3) . .
O13D Na9 Na10 44.1(2) . .
C30D Na9 Na10 69.8(3) . .
O13D Na10 O15C 171.6(5) . .
O13D Na10 O13W 98.0(4) . .
O15C Na10 O13W 88.2(4) . .
O13D Na10 O21W 85.4(5) . .
O15C Na10 O21W 101.3(5) . .
O13W Na10 O21W 81.7(5) . .
O13D Na10 O3W 83.6(4) . .
O15C Na10 O3W 88.7(4) . .
O13W Na10 O3W 159.2(5) . .
O21W Na10 O3W 119.1(4) . .
O13D Na10 O1W 91.2(4) . .
O15C Na10 O1W 83.4(4) . .
O13W Na10 O1W 86.9(4) . .
O21W Na10 O1W 167.5(5) . .
O3W Na10 O1W 72.3(3) . .
O13D Na10 C32C 150.7(4) . .
O15C Na10 C32C 20.9(3) . .
O13W Na10 C32C 104.7(4) . .
O21W Na10 C32C 115.8(5) . .
O3W Na10 C32C 68.7(3) . .
O1W Na10 C32C 72.1(4) . .
O13D Na10 Na9 51.5(3) . .
O15C Na10 Na9 120.5(3) . .
O13W Na10 Na9 116.8(4) . .
O21W Na10 Na9 133.4(5) . .
O3W Na10 Na9 49.0(2) . .
O1W Na10 Na9 48.9(2) . .
C32C Na10 Na9 101.0(3) . .
O3 Na11 O8W 157.3(5) . 2_757
O3 Na11 O22W 98.4(5) . 2_767
O8W Na11 O22W 95.9(5) 2_757 2_767
O3 Na11 O11W 87.1(4) . 2_757
O8W Na11 O11W 76.4(4) 2_757 2_757
O22W Na11 O11W 85.8(5) 2_767 2_757
O3 Na11 O22W 95.2(4) . .
O8W Na11 O22W 103.9(5) 2_757 .
O22W Na11 O22W 83.6(6) 2_767 .
O11W Na11 O22W 169.3(5) 2_757 .
O3 Na11 O12W 83.5(4) . .
O8W Na11 O12W 92.5(4) 2_757 .
O22W Na11 O12W 150.9(5) 2_767 .
O11W Na11 O12W 123.3(5) 2_757 .
O22W Na11 O12W 67.4(4) . .
O3 Na11 Na7 47.8(3) . .
O8W Na11 Na7 114.8(4) 2_757 .
O22W Na11 Na7 145.8(5) 2_767 .
O11W Na11 Na7 87.0(3) 2_757 .
O22W Na11 Na7 102.3(4) . .
O12W Na11 Na7 47.5(3) . .
O3 Na11 Na6 114.3(3) . 2_757
O8W Na11 Na6 43.0(3) 2_757 2_757
O22W Na11 Na6 115.9(4) 2_767 2_757
O11W Na11 Na6 46.0(3) 2_757 2_757
O22W Na11 Na6 140.0(5) . 2_757
O12W Na11 Na6 88.9(3) . 2_757
Na7 Na11 Na6 81.2(2) . 2_757
O3 Na11 Na11 99.0(4) . 2_767
O8W Na11 Na11 103.5(4) 2_757 2_767
O22W Na11 Na11 44.1(4) 2_767 2_767
O11W Na11 Na11 129.9(4) 2_757 2_767
O22W Na11 Na11 39.4(3) . 2_767
O12W Na11 Na11 106.8(4) . 2_767
Na7 Na11 Na11 132.7(3) . 2_767
Na6 Na11 Na11 144.7(3) 2_757 2_767
Na2 Na12 Na5 131.6(4) . 2_657
Na2 Na12 Na14 98.3(4) . 1_445
Na5 Na12 Na14 103.3(3) 2_657 1_445
Na2 Na12 O15 80.5(3) . .
Na5 Na12 O15 118.5(4) 2_657 .
Na14 Na12 O15 124.7(4) 1_445 .
Na2 Na12 Na1 135.7(4) . .
Na5 Na12 Na1 77.1(2) 2_657 .
Na14 Na12 Na1 37.5(2) 1_445 .
O15 Na12 Na1 118.3(3) . .
Na7 Na13 O17B 132.2(4) . 2_657
Na7 Na13 O17 67.8(3) . .
O17B Na13 O17 110.8(4) 2_657 .
Na1 Na14 O6D 84.6(3) 1_665 .
Na1 Na14 Na12 97.3(4) 1_665 1_665
O6D Na14 Na12 124.4(4) . 1_665
Na1 Na14 O18W 151.6(5) 1_665 .
O6D Na14 O18W 87.1(4) . .
Na12 Na14 O18W 109.7(4) 1_665 .
Na1 Na14 Na2 134.7(4) 1_665 1_665
O6D Na14 Na2 119.4(3) . 1_665
Na12 Na14 Na2 37.5(2) 1_665 1_665
O18W Na14 Na2 72.4(3) . 1_665
Na1 Na14 Na5 73.3(3) 1_665 2_767
O6D Na14 Na5 96.0(3) . 2_767
Na12 Na14 Na5 35.3(2) 1_665 2_767
O18W Na14 Na5 134.7(4) . 2_767
Na2 Na14 Na5 66.87(17) 1_665 2_767
Na6 Na15 Na3 90.4(3) 2_757 2_767
Na6 Na15 O12B 88.2(4) 2_757 .
Na3 Na15 O12B 84.4(3) 2_767 .
Na6 Na15 Na16 127.3(3) 2_757 2_767
Na3 Na15 Na16 39.3(2) 2_767 2_767
O12B Na15 Na16 98.4(4) . 2_767
Na3 Na16 Na4 93.5(3) . .
Na3 Na16 O23W 106.8(6) . .
Na4 Na16 O23W 91.2(6) . .
Na3 Na16 O11 118.5(4) . .
Na4 Na16 O11 124.0(4) . .
O23W Na16 O11 117.6(6) . .
Na3 Na16 Na15 39.9(2) . 2_767
Na4 Na16 Na15 131.8(4) . 2_767
O23W Na16 Na15 92.5(6) . 2_767
O11 Na16 Na15 96.1(3) . 2_767
O14W Na17 O9 113.8(5) . .
O14W Na17 O5D 134.3(5) . .
O9 Na17 O5D 111.5(4) . .
Na9 O1W Na10 79.8(3) . .
Na9 O3W Na10 80.5(3) . .
Na4 O4W Na5 89.2(3) 2_667 .
Na5 O5W Na4 93.7(4) 2_667 .
Na4 O7W Na3 89.1(3) . .
Na11 O8W Na6 95.5(4) 2_757 .
Na11 O11W Na6 88.6(4) 2_757 .
Na7 O12W Na11 80.4(4) . .
Na11 O22W Na11 96.4(6) 2_767 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ho2 O8 2.298(7) .
Ho2 O1 2.300(9) .
Ho2 O6 2.306(7) .
Ho2 O10 2.312(7) .
Ho2 O17 2.313(8) .
Ho2 O15 2.371(8) .
Ho2 N4 2.534(10) .
Ho2 N2 2.543(10) .
Ho2 Ho1 3.7706(10) .
Ho1 O10 2.296(8) .
Ho1 O1 2.331(8) .
Ho1 O2 2.332(8) .
Ho1 O12 2.350(8) .
Ho1 O4 2.366(9) .
Ho1 O13 2.380(8) .
Ho1 N3 2.601(10) .
Ho1 N1 2.614(9) .
O1 C1 1.363(14) .
O4 C12 1.281(14) .
O5 C12 1.246(14) .
O5 Na3 2.277(9) .
O2 C11 1.286(15) .
O2 Na7 2.619(10) .
O3 C11 1.223(15) .
O3 Na11 2.310(12) .
O3 Na7 2.468(10) .
O6 C16 1.279(16) .
O7 C16 1.265(14) .
O7 Na1 2.237(10) .
O8 C17 1.298(14) .
O9 C17 1.240(13) .
O9 Na17 2.837(13) .
O10 C18 1.377(13) .
O13 C29 1.244(13) .
O14 C29 1.266(15) .
O12 C28 1.236(14) .
O11 C28 1.265(15) .
O11 Na16 2.960(13) .
O15 C33 1.297(14) .
O15 Na12 2.864(11) .
O16 C33 1.253(15) .
O16 Na2 2.372(10) .
O17 C34 1.266(16) .
O17 Na13 2.858(11) .
O17 Na7 2.960(10) .
O18 C34 1.227(15) .
O18 Na7 2.365(11) .
N1 C10 1.458(15) .
N1 C8 1.485(15) .
N1 C9 1.488(15) .
N2 C14 1.454(14) .
N2 C15 1.502(13) .
N2 C13 1.537(16) .
N3 C26 1.437(16) .
N3 C27 1.488(15) .
N3 C25 1.491(16) .
N4 C32 1.464(14) .
N4 C31 1.474(15) .
N4 C30 1.496(14) .
C1 C6 1.394(19) .
C1 C2 1.401(17) .
C2 C3 1.415(16) .
C2 C8 1.490(19) .
C3 C4 1.400(18) .
C4 C5 1.414(18) .
C4 C7 1.523(17) .
C5 C6 1.411(18) .
C6 C13 1.490(18) .
C10 C12 1.528(15) .
C9 C11 1.533(18) .
C11 Na7 2.780(14) .
C14 C16 1.556(18) .
C15 C17 1.494(16) .
C18 C19 1.396(15) .
C18 C23 1.396(17) .
C19 C20 1.390(16) .
C19 C25 1.517(18) .
C20 C21 1.368(18) .
C21 C22 1.416(17) .
C21 C24 1.555(15) .
C22 C23 1.352(14) .
C23 C30 1.486(15) .
C27 C29 1.506(19) .
C26 C28 1.482(17) .
C31 C33 1.508(16) .
C32 C34 1.518(17) .
C34 Na7 2.890(15) .
Ho3 O8B 2.314(7) .
Ho3 O6B 2.333(8) .
Ho3 O11B 2.339(7) .
Ho3 O1B 2.340(8) .
Ho3 O14B 2.351(8) .
Ho3 O12B 2.367(9) .
Ho3 N2B 2.532(10) .
Ho3 N11B 2.542(10) .
Ho3 Ho4 3.7799(10) .
Ho4 O16B 2.320(9) .
Ho4 O1B 2.327(7) .
Ho4 O18B 2.328(8) .
Ho4 O11B 2.329(8) .
Ho4 O4B 2.352(9) .
Ho4 O2B 2.366(7) .
Ho4 N12B 2.560(10) .
Ho4 N1B 2.580(10) .
O1B C1B 1.338(14) .
O2B C10B 1.252(14) .
O2B Na1 2.425(8) 2_657
O3B C10B 1.218(13) .
O3B Na5 2.283(9) .
O3B Na1 2.527(10) 2_657
O4B C12B 1.276(15) .
O5B C12B 1.243(15) .
O6B C15B 1.256(15) .
O7B C15B 1.259(15) .
O8B C17B 1.291(14) .
O8B Na6 2.400(9) 2_757
O9B C17B 1.218(14) .
O9B Na7 2.256(11) .
O9B Na6 2.578(10) 2_757
O11B C21B 1.361(14) .
O12B C30B 1.282(14) .
O12B Na15 2.660(12) .
O13B C30B 1.224(14) .
O13B Na3 2.330(10) 2_767
O14B C32B 1.280(15) .
O15B C32B 1.231(15) .
O15B Na3 2.330(10) 1_545
O15B Na6 2.371(11) .
O16B C35B 1.277(13) .
O17B C35B 1.267(15) .
O17B Na13 2.810(11) 2_657
O18B C37B 1.311(13) .
O19B C37B 1.189(15) .
N1B C11B 1.457(16) .
N1B C9B 1.466(14) .
N1B C8B 1.531(13) .
N2B C16B 1.479(13) .
N2B C14B 1.489(15) .
N2B C13B 1.495(13) .
N11B C31B 1.471(15) .
N11B C28B 1.511(15) .
N11B C29B 1.517(13) .
N12B C36B 1.456(14) .
N12B C34B 1.470(15) .
N12B C33B 1.504(16) .
C1B C6B 1.419(18) .
C1B C2B 1.425(17) .
C2B C3B 1.422(19) .
C2B C8B 1.482(18) .
C3B C4B 1.36(2) .
C4B C5B 1.399(19) .
C4B C7B 1.52(2) .
C5B C6B 1.407(18) .
C6B C13B 1.463(17) .
C9B C10B 1.611(16) .
C10B Na1 2.724(13) 2_657
C11B C12B 1.537(18) .
C14B C15B 1.528(16) .
C16B C17B 1.521(16) .
C17B Na6 2.842(13) 2_757
C21B C22B 1.382(17) .
C21B C26B 1.403(16) .
C22B C23B 1.381(16) .
C22B C28B 1.484(15) .
C23B C24B 1.410(16) .
C24B C25B 1.376(17) .
C24B C27B 1.524(17) .
C25B C26B 1.399(16) .
C26B C33B 1.481(17) .
C29B C30B 1.482(17) .
C30B Na3 3.095(13) 2_767
C31B C32B 1.532(17) .
C34B C35B 1.513(17) .
C36B C37B 1.486(17) .
Ho5 O1C 2.301(8) .
Ho5 O8C 2.333(9) .
Ho5 O11C 2.342(8) .
Ho5 O6C 2.354(8) .
Ho5 O14C 2.356(9) .
Ho5 O12C 2.381(8) .
Ho5 N11C 2.501(11) .
Ho5 N2C 2.554(11) .
Ho5 Ho6 3.7975(11) .
Ho6 O11C 2.302(8) .
Ho6 O18C 2.319(9) .
Ho6 O4C 2.339(8) .
Ho6 O16C 2.341(9) .
Ho6 O1C 2.350(8) .
Ho6 O2C 2.384(8) .
Ho6 N12C 2.551(10) .
Ho6 N1C 2.556(10) .
O1C C1C 1.341(14) .
O2C C10C 1.258(15) .
O2C Na2 2.408(9) .
O3C C10C 1.236(14) .
O3C Na2 2.577(11) .
O4C C12C 1.284(15) .
O5C C12C 1.260(15) .
O6C C15C 1.263(16) .
O7C C15C 1.256(16) .
O8C C17C 1.259(16) .
O9C C17C 1.210(16) .
O11C C21C 1.363(15) .
O12C C30C 1.309(16) .
O13C C30C 1.250(15) .
O13C Na9 2.396(10) 2_756
O14C C32C 1.256(16) .
O15C C32C 1.268(16) .
O15C Na10 2.310(10) .
O16C C35C 1.280(15) .
O17C C35C 1.224(16) .
O18C C37C 1.322(16) .
O19C C37C 1.231(18) .
N1C C9C 1.463(14) .
N1C C8C 1.486(13) .
N1C C11C 1.499(16) .
N2C C14C 1.462(15) .
N2C C13C 1.490(15) .
N2C C16C 1.502(18) .
N11C C29C 1.473(16) .
N11C C31C 1.481(15) .
N11C C28C 1.489(15) .
N12C C34C 1.481(17) .
N12C C33C 1.504(16) .
N12C C36C 1.510(16) .
C1C C6C 1.40(2) .
C1C C2C 1.406(17) .
C2C C3C 1.340(18) .
C2C C8C 1.474(17) .
C3C C4C 1.410(19) .
C4C C5C 1.38(2) .
C4C C7C 1.56(2) .
C5C C6C 1.36(2) .
C6C C13C 1.445(19) .
C9C C10C 1.553(15) .
C10C Na2 2.766(13) .
C11C C12C 1.486(18) .
C14C C15C 1.521(19) .
C16C C17C 1.52(2) .
C21C C22C 1.400(16) .
C21C C26C 1.405(18) .
C22C C23C 1.406(17) .
C22C C33C 1.521(17) .
C23C C24C 1.353(19) .
C24C C25C 1.421(18) .
C24C C27C 1.561(19) .
C25C C26C 1.363(18) .
C26C C28C 1.527(17) .
C29C C30C 1.488(17) .
C31C C32C 1.520(19) .
C32C Na10 3.123(14) .
C34C C35C 1.492(19) .
C36C C37C 1.49(2) .
Ho7 O11D 2.273(8) .
Ho7 O18D 2.303(7) .
Ho7 O16D 2.310(7) .
Ho7 O1D 2.322(8) .
Ho7 O8D 2.339(9) .
Ho7 O6D 2.364(9) .
Ho7 N2D 2.545(10) .
Ho7 N12D 2.555(10) .
Ho7 Ho8 3.7776(11) .
Ho8 O1D 2.282(8) .
Ho8 O12D 2.336(9) .
Ho8 O2D 2.342(9) .
Ho8 O11D 2.346(8) .
Ho8 O14D 2.354(9) .
Ho8 O4D 2.387(8) .
Ho8 N1D 2.549(10) .
Ho8 N11D 2.566(9) .
O1D C1D 1.381(13) .
O2D C10D 1.301(15) .
O3D C10D 1.216(16) .
O4D C12D 1.260(13) .
O5D C12D 1.240(14) .
O5D Na17 2.916(12) .
O6D C15D 1.281(14) .
O6D Na14 2.778(11) .
O7D C15D 1.254(15) .
O7D Na1 2.372(10) 1_665
O8D C17D 1.273(19) .
O9DA C17D 1.29(2) .
O9DB C17D 1.43(3) .
O11D C21D 1.354(14) .
O12D C30D 1.251(15) .
O12D Na9 2.408(10) .
O13D C30D 1.253(15) .
O13D Na10 2.229(10) .
O13D Na9 2.504(10) .
O14D C32D 1.219(15) .
O15D C32D 1.267(16) .
O15D Na8 2.480(10) .
O16D C35D 1.295(15) .
O17D C35D 1.218(14) .
O18D C37D 1.269(15) .
O19D C37D 1.221(14) .
O19D Na2 2.303(9) 1_665
N1D C8D 1.469(15) .
N1D C11D 1.483(15) .
N1D C9D 1.490(16) .
N2D C14D 1.449(16) .
N2D C13D 1.498(15) .
N2D C16D 1.505(15) .
N11D C29D 1.459(15) .
N11D C28D 1.467(13) .
N11D C31D 1.495(16) .
N12D C36D 1.483(13) .
N12D C33D 1.504(15) .
N12D C34D 1.508(14) .
C1D C6D 1.384(18) .
C1D C2D 1.410(17) .
C2D C3D 1.400(17) .
C2D C8D 1.473(19) .
C3D C4D 1.38(2) .
C4D C5D 1.384(17) .
C4D C7D 1.554(16) .
C5D C6D 1.385(16) .
C6D C13D 1.504(17) .
C9D C10D 1.501(16) .
C11D C12D 1.513(18) .
C14D C15D 1.499(17) .
C16D C17D 1.51(2) .
C21D C26D 1.378(18) .
C21D C22D 1.406(16) .
C22D C23D 1.412(18) .
C22D C28D 1.515(17) .
C23D C24D 1.406(19) .
C24D C25D 1.450(17) .
C24D C27D 1.504(18) .
C25D C26D 1.388(17) .
C26D C33D 1.494(15) .
C29D C30D 1.513(15) .
C30D Na9 2.708(13) .
C31D C32D 1.52(2) .
C34D C35D 1.540(15) .
C36D C37D 1.548(18) .
Na1 O7D 2.372(10) 1_445
Na1 Na14 2.397(10) 1_445
Na1 O2B 2.425(8) 2_657
Na1 O15W 2.473(13) .
Na1 O3B 2.527(10) 2_657
Na1 C10B 2.724(13) 2_657
Na1 Na12 3.904(10) .
Na1 Na5 4.117(7) 2_657
Na2 O19D 2.303(9) 1_445
Na2 O20W 2.371(13) .
Na2 Na12 2.434(9) .
Na2 Na14 3.959(10) 1_445
Na3 O13B 2.330(10) 2_767
Na3 O15B 2.330(10) 1_565
Na3 Na16 2.427(10) .
Na3 Na15 2.455(10) 2_767
Na3 O7W 2.788(11) .
Na3 C30B 3.095(13) 2_767
Na3 Na6 3.455(8) 1_565
Na3 Na4 3.560(8) .
Na4 O7W 2.259(11) .
Na4 O6W 2.326(12) .
Na4 O5W 2.343(11) .
Na4 O4W 2.387(10) 2_667
Na4 Na16 2.461(10) .
Na4 O17W 2.945(15) .
Na4 Na5 3.409(8) 2_667
Na5 O2W 2.324(10) .
Na5 O5W 2.327(11) 2_667
Na5 Na12 2.441(9) 2_657
Na5 O4W 2.466(11) .
Na5 Na4 3.409(8) 2_667
Na5 Na14 4.108(11) 2_767
Na5 Na1 4.117(7) 2_657
Na6 O8B 2.400(9) 2_757
Na6 O8W 2.402(11) .
Na6 Na15 2.415(11) 2_757
Na6 O11W 2.521(12) .
Na6 O9B 2.578(11) 2_757
Na6 C17B 2.842(13) 2_757
Na6 Na3 3.455(8) 1_545
Na6 Na11 3.503(9) 2_757
Na7 Na13 2.407(11) .
Na7 O12W 2.491(13) .
Na7 Na11 3.332(9) .
Na8 O19W 2.343(10) 2_766
Na8 O19W 2.343(10) .
Na8 O15D 2.480(10) 2_766
Na8 O16W 2.564(12) .
Na8 O16W 2.564(12) 2_766
Na9 O9W 2.319(11) .
Na9 O13C 2.396(10) 2_756
Na9 O3W 2.437(10) .
Na9 O1W 2.437(10) .
Na9 Na10 3.185(8) .
Na10 O13W 2.372(13) .
Na10 O21W 2.452(14) .
Na10 O3W 2.492(11) .
Na10 O1W 2.528(11) .
Na11 O8W 2.329(13) 2_757
Na11 O22W 2.350(16) 2_767
Na11 O11W 2.496(11) 2_757
Na11 O22W 2.575(16) .
Na11 O12W 2.665(14) .
Na11 Na6 3.503(9) 2_757
Na11 Na11 3.676(14) 2_767
Na12 Na5 2.441(9) 2_657
Na12 Na14 2.791(13) 1_445
Na13 O17B 2.810(11) 2_657
Na14 Na1 2.397(10) 1_665
Na14 Na12 2.791(13) 1_665
Na14 O18W 2.994(18) .
Na14 Na2 3.959(10) 1_665
Na14 Na5 4.108(11) 2_767
Na15 Na6 2.415(11) 2_757
Na15 Na3 2.455(10) 2_767
Na15 Na16 3.760(13) 2_767
Na16 O23W 2.85(3) .
Na16 Na15 3.760(13) 2_767
Na17 O14W 2.684(15) .
O4W Na4 2.387(10) 2_667
O5W Na5 2.327(11) 2_667
O8W Na11 2.329(13) 2_757
O11W Na11 2.496(11) 2_757
O22W Na11 2.350(16) 2_767
