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#$Date: 2025-07-17 01:16:09 +0300 (Thu, 17 Jul 2025) $
#$Revision: 301270 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/51/1575105.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_1575105
loop_
_publ_author_name
'Guan, Yu-Tao'
'Ji, Heng'
'Yang, Ju'
'Saisai, Yu'
'Liu, Ming'
_publ_section_title
;
 Construction of helicates based on six-coordinated silicon centres
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/D5SC03271G
_journal_year                    2025
_chemical_formula_moiety
'C88 H61.50 N6 Na4 O28.50 Si2 [C H10 O, 0.5(C H4 O)]'
_chemical_formula_sum            'C88 H61.5 N6 Na4 O28.5 Si2'
_chemical_formula_weight         1807.07
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_audit_block_doi                 10.5517/ccdc.csd.cc2n51hd
_audit_creation_method
;FinalCif V113 by Daniel Kratzert, Freiburg 2025,
https://dkratzert.de/finalcif.html
;
_audit_update_record
;
2025-07-08 deposited with the CCDC.	2025-07-14 downloaded from the CCDC.
;
_cell_angle_alpha                97.617(2)
_cell_angle_beta                 111.200(2)
_cell_angle_gamma                91.323(2)
_cell_formula_units_Z            4
_cell_length_a                   20.0833(7)
_cell_length_b                   21.0558(7)
_cell_length_c                   24.1670(8)
_cell_measurement_reflns_used    9896
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      55.2
_cell_measurement_theta_min      2.466
_cell_volume                     9415.9(6)
_computing_cell_refinement       'SAINT V8.41'
_computing_data_collection       'Bruker BIS 8.5.0.27'
_computing_data_reduction        'SAINT V8.41'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 CPAD
_diffrn_detector_area_resol_mean 7.41
_diffrn_detector_type            'Bruker PHOTON III'
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE dual wavelength Mo/Cu'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0832
_diffrn_reflns_av_unetI/netI     0.0794
_diffrn_reflns_Laue_measured_fraction_full 0.980
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            98411
_diffrn_reflns_point_group_measured_fraction_full 0.980
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_theta_full        64.369
_diffrn_reflns_theta_max         64.369
_diffrn_reflns_theta_min         2.123
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_exptl_absorpt_coefficient_mu    1.196
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.275
_exptl_crystal_description       block
_exptl_crystal_F_000             3726
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.296
_refine_diff_density_min         -0.583
_refine_diff_density_rms         0.083
_refine_ls_extinction_coef       0.00058(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2019/2 (Sheldrick 2019)'
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2222
_refine_ls_number_reflns         30951
_refine_ls_number_restraints     14
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.1624
_refine_ls_R_factor_gt           0.0976
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0600P)²+30.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2192
_refine_ls_wR_factor_ref         0.2489
_reflns_Friedel_coverage         0.000
_reflns_number_gt                15858
_reflns_number_total             30951
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5sc03271g2.cif
_cod_data_source_block           cu_xr2024023_73_01_gyt_2024092_a_sq
_cod_original_formula_sum        'C88 H61.50 N6 Na4 O28.50 Si2'
_cod_database_code               1575105
_shelx_shelxl_version_number     2019/2
_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.
;
_diffrn_measurement_ambient_temperature_device_make 'Oxford Cryostream 800'
loop_
_space_group_symop_operation_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_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
Na2 Na 0.18738(15) 0.52279(15) 0.37087(13) 0.0851(8) Uani 1 1 d . . . . .
Na3 Na 0.81206(13) 0.39362(11) 0.50104(11) 0.0611(6) Uani 1 1 d . . . . .
Na4 Na 0.68274(13) 0.89852(12) 0.50107(12) 0.0669(7) Uani 1 1 d . . . . .
Na5 Na 1.04451(14) 0.80418(13) -0.00958(12) 0.0727(7) Uani 1 1 d D . . . .
Na6 Na 1.17094(17) 1.15919(17) 0.43436(16) 0.1027(10) Uani 1 1 d . . . . .
Na7 Na 0.2084(3) 0.7325(3) 0.0641(3) 0.201(3) Uani 1 1 d . . . . .
Na8 Na 0.6352(3) 0.4783(3) 0.08659(17) 0.181(3) Uani 1 1 d D . . . .
Si1 Si 0.77839(9) 0.52788(8) 0.43257(8) 0.0547(4) Uani 1 1 d . . . . .
Si2 Si 0.89190(10) 1.11809(9) 0.09810(9) 0.0594(5) Uani 1 1 d . . . . .
Si3 Si 0.65616(9) 0.02184(8) 0.42496(8) 0.0564(5) Uani 1 1 d . . . . .
Si4 Si 0.26264(10) 0.58885(9) 0.08376(9) 0.0658(5) Uani 1 1 d . . . . .
Na1 Na 0.5100(2) 0.9917(3) 0.07198(19) 0.1606(19) Uani 1 1 d . . . . .
C1_1 C 0.7894(3) 0.0594(3) 0.4444(3) 0.0582(16) Uani 1 1 d . . . . .
C2_1 C 0.8608(3) 0.0620(3) 0.4550(3) 0.0658(18) Uani 1 1 d . . . . .
H2_1 H 0.884832 0.023680 0.455140 0.079 Uiso 1 1 calc R U . . .
C3_1 C 0.8984(4) 0.1223(3) 0.4660(3) 0.072(2) Uani 1 1 d . . . . .
H3X_1 H 0.948334 0.125004 0.473523 0.086 Uiso 1 1 calc R U . . .
C4_1 C 0.8623(4) 0.1783(3) 0.4656(3) 0.0692(19) Uani 1 1 d . . . . .
H4_1 H 0.888322 0.218868 0.473697 0.083 Uiso 1 1 calc R U . . .
C5_1 C 0.7894(3) 0.1760(3) 0.4538(3) 0.0595(16) Uani 1 1 d . . . . .
C6_1 C 0.7536(3) 0.1163(3) 0.4446(3) 0.0543(15) Uani 1 1 d . . . . .
C7_1 C 0.7533(4) 0.2377(3) 0.4486(3) 0.0602(17) Uani 1 1 d . . . . .
C8_1 C 0.6331(3) 0.2798(3) 0.4115(3) 0.0588(16) Uani 1 1 d . . . . .
C9_1 C 0.5645(3) 0.2718(3) 0.4128(3) 0.0662(18) Uani 1 1 d . . . . .
H9_1 H 0.551696 0.235845 0.427843 0.079 Uiso 1 1 calc R U . . .
C10_1 C 0.5157(3) 0.3157(3) 0.3924(3) 0.0660(18) Uani 1 1 d . . . . .
H10_1 H 0.468834 0.309180 0.392586 0.079 Uiso 1 1 calc R U . . .
C11_1 C 0.5332(3) 0.3700(3) 0.3712(3) 0.0590(16) Uani 1 1 d . . . . .
C12_1 C 0.6027(3) 0.3773(3) 0.3705(3) 0.0617(17) Uani 1 1 d . . . . .
H12_1 H 0.616154 0.413363 0.355976 0.074 Uiso 1 1 calc R U . . .
C13_1 C 0.6514(3) 0.3326(3) 0.3905(3) 0.0583(16) Uani 1 1 d . . . . .
H13_1 H 0.698109 0.338221 0.389784 0.070 Uiso 1 1 calc R U . . .
C14_1 C 0.4804(3) 0.4165(3) 0.3473(3) 0.0603(17) Uani 1 1 d . . . . .
C15_1 C 0.4799(4) 0.4458(3) 0.2989(3) 0.0669(18) Uani 1 1 d . . . . .
H15_1 H 0.515618 0.437073 0.282341 0.080 Uiso 1 1 calc R U . . .
C16_1 C 0.4281(4) 0.4876(3) 0.2740(3) 0.0670(18) Uani 1 1 d . . . . .
H16_1 H 0.429806 0.507522 0.241420 0.080 Uiso 1 1 calc R U . . .
C17_1 C 0.3746(4) 0.5004(3) 0.2959(3) 0.0620(17) Uani 1 1 d . . . . .
C18_1 C 0.3746(4) 0.4728(3) 0.3458(3) 0.0662(18) Uani 1 1 d . . . . .
H18_1 H 0.339233 0.482121 0.362578 0.079 Uiso 1 1 calc R U . . .
C19_1 C 0.4274(4) 0.4316(3) 0.3703(3) 0.0667(18) Uani 1 1 d . . . . .
H19_1 H 0.427116 0.413074 0.404045 0.080 Uiso 1 1 calc R U . . .
C20_1 C 0.2634(4) 0.5577(4) 0.2746(3) 0.074(2) Uani 1 1 d . . . . .
C21_1 C 0.2107(4) 0.5873(4) 0.2266(3) 0.076(2) Uani 1 1 d . . . . .
C22_1 C 0.1447(4) 0.6023(5) 0.2322(4) 0.100(3) Uani 1 1 d . . . . .
H22_1 H 0.138009 0.598336 0.268605 0.120 Uiso 1 1 calc R U . . .
C23_1 C 0.0903(5) 0.6224(5) 0.1860(4) 0.103(3) Uani 1 1 d . . . . .
H23_1 H 0.046716 0.632208 0.191016 0.123 Uiso 1 1 calc R U . . .
C24_1 C 0.0979(4) 0.6287(4) 0.1319(4) 0.083(2) Uani 1 1 d . . . . .
H24_1 H 0.059508 0.641566 0.099817 0.099 Uiso 1 1 calc R U . . .
C25_1 C 0.1621(4) 0.6159(3) 0.1257(3) 0.0674(18) Uani 1 1 d . . . . .
C26_1 C 0.2183(4) 0.5961(3) 0.1733(3) 0.0706(19) Uani 1 1 d . . . . .
N1_1 N 0.6807(3) 0.2308(2) 0.4297(2) 0.0614(14) Uani 1 1 d . . . . .
H1_1 H 0.661224 0.192540 0.428691 0.074 Uiso 1 1 calc R U . . .
N2_1 N 0.3222(3) 0.5391(3) 0.2649(2) 0.0694(15) Uani 1 1 d . . . . .
H2A_1 H 0.328792 0.553337 0.234497 0.083 Uiso 1 1 calc R U . . .
O1_1 O 0.7453(2) 0.00575(19) 0.43323(19) 0.0593(11) Uani 1 1 d . . . . .
O2_1 O 0.6830(2) 0.10481(18) 0.43409(18) 0.0553(10) Uani 1 1 d . . . . .
O3_1 O 0.7882(2) 0.2898(2) 0.4596(2) 0.0692(12) Uani 1 1 d . . . . .
O4_1 O 0.2533(3) 0.5488(3) 0.3205(2) 0.0991(18) Uani 1 1 d . . . . .
O5_1 O 0.1779(2) 0.6196(2) 0.0769(2) 0.0716(13) Uani 1 1 d . . . . .
O6_1 O 0.2780(2) 0.5861(2) 0.1604(2) 0.0645(12) Uani 1 1 d . . . . .
C1_2 C 0.5928(3) -0.0833(3) 0.3531(3) 0.0560(16) Uani 1 1 d . . . . .
C2_2 C 0.5589(3) -0.1443(3) 0.3303(3) 0.0607(17) Uani 1 1 d . . . . .
H2_2 H 0.562882 -0.175997 0.355595 0.073 Uiso 1 1 calc R U . . .
C3_2 C 0.5188(4) -0.1575(3) 0.2690(3) 0.0701(19) Uani 1 1 d . . . . .
H3_2 H 0.496279 -0.199419 0.252276 0.084 Uiso 1 1 calc R U . . .
C4_2 C 0.5108(4) -0.1117(3) 0.2318(3) 0.0673(18) Uani 1 1 d . . . . .
H4_2 H 0.482543 -0.122490 0.190251 0.081 Uiso 1 1 calc R U . . .
C5_2 C 0.5440(3) -0.0489(3) 0.2545(3) 0.0580(16) Uani 1 1 d . . . . .
C6_2 C 0.5863(3) -0.0369(3) 0.3154(3) 0.0579(16) Uani 1 1 d . . . . .
C7_2 C 0.5284(4) 0.0009(3) 0.2145(3) 0.0608(17) Uani 1 1 d . . . . .
C8_2 C 0.5464(4) 0.1198(3) 0.2201(3) 0.0584(16) Uani 1 1 d . . . . .
C9_2 C 0.5888(4) 0.1723(3) 0.2579(3) 0.0685(19) Uani 1 1 d . . . . .
H9_2 H 0.625995 0.166503 0.294241 0.082 Uiso 1 1 calc R U . . .
C10_2 C 0.5771(4) 0.2338(3) 0.2427(3) 0.0708(19) Uani 1 1 d . . . . .
H10_2 H 0.605922 0.269692 0.269472 0.085 Uiso 1 1 calc R U . . .
C11_2 C 0.5246(4) 0.2435(3) 0.1897(3) 0.0595(16) Uani 1 1 d . . . . .
C12_2 C 0.4841(4) 0.1904(3) 0.1523(3) 0.0645(18) Uani 1 1 d . . . . .
H12_2 H 0.448008 0.196230 0.115354 0.077 Uiso 1 1 calc R U . . .
C13_2 C 0.4938(3) 0.1281(3) 0.1662(3) 0.0605(17) Uani 1 1 d . . . . .
H13_2 H 0.465038 0.092348 0.139331 0.073 Uiso 1 1 calc R U . . .
C14_2 C 0.5108(4) 0.3095(3) 0.1750(3) 0.0608(17) Uani 1 1 d . . . . .
C15_2 C 0.4408(4) 0.3263(3) 0.1477(3) 0.0661(18) Uani 1 1 d . . . . .
H15_2 H 0.401739 0.295250 0.138151 0.079 Uiso 1 1 calc R U . . .
C16_2 C 0.4278(4) 0.3882(3) 0.1344(3) 0.0656(18) Uani 1 1 d . . . . .
H16_2 H 0.379999 0.399062 0.115859 0.079 Uiso 1 1 calc R U . . .
C17_2 C 0.4835(4) 0.4335(3) 0.1480(3) 0.0608(17) Uani 1 1 d . . . . .
C18_2 C 0.5538(4) 0.4187(3) 0.1762(3) 0.0649(18) Uani 1 1 d . . . . .
H18_2 H 0.592601 0.450276 0.186694 0.078 Uiso 1 1 calc R U . . .
C19_2 C 0.5659(4) 0.3565(3) 0.1886(3) 0.0623(17) Uani 1 1 d . . . . .
H19_2 H 0.613853 0.345828 0.207160 0.075 Uiso 1 1 calc R U . . .
C20_2 C 0.5055(4) 0.5446(3) 0.1283(3) 0.0632(17) Uani 1 1 d . . . . .
C21_2 C 0.4732(4) 0.6068(3) 0.1236(3) 0.0603(17) Uani 1 1 d . . . . .
C22_2 C 0.5172(4) 0.6630(3) 0.1335(3) 0.0701(19) Uani 1 1 d . . . . .
H22_2 H 0.566578 0.660267 0.140117 0.084 Uiso 1 1 calc R U . . .
C23_2 C 0.4897(4) 0.7219(4) 0.1338(3) 0.076(2) Uani 1 1 d . . . . .
H23_2 H 0.520841 0.759581 0.142200 0.091 Uiso 1 1 calc R U . . .
C24_2 C 0.4173(4) 0.7278(3) 0.1220(3) 0.073(2) Uani 1 1 d . . . . .
H24_2 H 0.398801 0.768902 0.122402 0.088 Uiso 1 1 calc R U . . .
C25_2 C 0.3731(4) 0.6731(3) 0.1098(3) 0.0641(18) Uani 1 1 d . . . . .
C26_2 C 0.4013(4) 0.6119(3) 0.1102(3) 0.0616(17) Uani 1 1 d . . . . .
N1_2 N 0.5584(3) 0.0600(2) 0.2410(2) 0.0603(14) Uani 1 1 d . . . . .
H1_2 H 0.590788 0.061849 0.277394 0.072 Uiso 1 1 calc R U . . .
N2_2 N 0.4649(3) 0.4969(2) 0.1361(2) 0.0652(15) Uani 1 1 d . . . . .
H2A_2 H 0.421444 0.505986 0.133633 0.078 Uiso 1 1 calc R U . . .
O1_2 O 0.6319(2) -0.06229(19) 0.4113(2) 0.0569(10) Uani 1 1 d . . . . .
O2_2 O 0.6235(2) 0.01964(18) 0.34573(18) 0.0560(10) Uani 1 1 d . . . . .
O3_2 O 0.4896(3) -0.0117(2) 0.1606(2) 0.0720(13) Uani 1 1 d . . . . .
O4_2 O 0.5668(3) 0.5377(2) 0.1279(2) 0.0793(14) Uani 1 1 d . . . . .
O5_2 O 0.3002(2) 0.6688(2) 0.0957(2) 0.0679(12) Uani 1 1 d . . . . .
O6_2 O 0.3500(2) 0.5627(2) 0.09616(19) 0.0639(12) Uani 1 1 d . . . . .
C1_3 C 0.6265(3) 0.0406(3) 0.5237(3) 0.0571(16) Uani 1 1 d . . . . .
C2_3 C 0.6300(4) 0.0457(3) 0.5819(3) 0.0665(18) Uani 1 1 d . . . . .
H2_3 H 0.670652 0.033368 0.612441 0.080 Uiso 1 1 calc R U . . .
C3_3 C 0.5725(4) 0.0694(3) 0.5949(3) 0.0685(19) Uani 1 1 d . . . . .
H3_3 H 0.572795 0.071704 0.634495 0.082 Uiso 1 1 calc R U . . .
C4_3 C 0.5152(4) 0.0896(3) 0.5513(3) 0.0642(18) Uani 1 1 d . . . . .
H4_3 H 0.477455 0.107325 0.561592 0.077 Uiso 1 1 calc R U . . .
C5_3 C 0.5113(3) 0.0847(3) 0.4917(3) 0.0605(17) Uani 1 1 d . . . . .
C6_3 C 0.5672(3) 0.0568(3) 0.4779(3) 0.0557(16) Uani 1 1 d . . . . .
C7_3 C 0.4512(3) 0.1107(3) 0.4477(3) 0.0610(17) Uani 1 1 d . . . . .
C8_3 C 0.4121(3) 0.1485(3) 0.3474(3) 0.0629(18) Uani 1 1 d . . . . .
C9_3 C 0.4115(4) 0.1329(3) 0.2908(3) 0.073(2) Uani 1 1 d . . . . .
H9_3 H 0.436409 0.097537 0.281909 0.087 Uiso 1 1 calc R U . . .
C10_3 C 0.3751(4) 0.1680(4) 0.2458(4) 0.078(2) Uani 1 1 d . . . . .
H10_3 H 0.374827 0.155863 0.206476 0.094 Uiso 1 1 calc R U . . .
C11_3 C 0.3387(3) 0.2209(3) 0.2574(3) 0.0622(17) Uani 1 1 d . . . . .
C12_3 C 0.3393(3) 0.2357(3) 0.3146(3) 0.0649(18) Uani 1 1 d . . . . .
H12_3 H 0.314046 0.270860 0.323289 0.078 Uiso 1 1 calc R U . . .
C13_3 C 0.3756(3) 0.2011(3) 0.3608(3) 0.0647(18) Uani 1 1 d . . . . .
H13_3 H 0.375666 0.212762 0.400180 0.078 Uiso 1 1 calc R U . . .
C14_3 C 0.3021(4) 0.2608(3) 0.2095(3) 0.0636(17) Uani 1 1 d . . . . .
C15_3 C 0.3111(4) 0.3280(3) 0.2239(3) 0.0689(19) Uani 1 1 d . . . . .
H15_3 H 0.338222 0.347891 0.263697 0.083 Uiso 1 1 calc R U . . .
C16_3 C 0.2797(4) 0.3652(3) 0.1791(3) 0.0707(19) Uani 1 1 d . . . . .
H16_3 H 0.286003 0.410685 0.188859 0.085 Uiso 1 1 calc R U . . .
C17_3 C 0.2394(4) 0.3377(3) 0.1205(3) 0.0672(19) Uani 1 1 d . . . . .
C18_3 C 0.2292(4) 0.2709(3) 0.1067(3) 0.0693(19) Uani 1 1 d . . . . .
H18_3 H 0.200837 0.250734 0.067255 0.083 Uiso 1 1 calc R U . . .
C19_3 C 0.2612(4) 0.2346(4) 0.1518(4) 0.075(2) Uani 1 1 d . . . . .
H19_3 H 0.254326 0.189083 0.142022 0.089 Uiso 1 1 calc R U . . .
C20_3 C 0.1765(4) 0.3679(4) 0.0184(4) 0.0715(19) Uani 1 1 d . . . . .
C21_3 C 0.1742(4) 0.4214(3) -0.0163(3) 0.0691(19) Uani 1 1 d . . . . .
C22_3 C 0.1463(4) 0.4077(4) -0.0790(3) 0.083(2) Uani 1 1 d . . . . .
H22_3 H 0.125384 0.365758 -0.097889 0.099 Uiso 1 1 calc R U . . .
C23_3 C 0.1484(4) 0.4537(4) -0.1141(4) 0.083(2) Uani 1 1 d . . . . .
H23_3 H 0.128515 0.442871 -0.156610 0.100 Uiso 1 1 calc R U . . .
C24_3 C 0.1791(4) 0.5155(4) -0.0887(3) 0.079(2) Uani 1 1 d . . . . .
H24_3 H 0.181867 0.546828 -0.112899 0.094 Uiso 1 1 calc R U . . .
C25_3 C 0.2053(4) 0.5297(3) -0.0270(3) 0.0669(18) Uani 1 1 d . . . . .
C26_3 C 0.2025(4) 0.4845(4) 0.0100(3) 0.0699(19) Uani 1 1 d . . . . .
N1_3 N 0.4553(3) 0.1148(2) 0.3934(2) 0.0625(14) Uani 1 1 d . . . . .
H1_3 H 0.489095 0.093875 0.385573 0.075 Uiso 1 1 calc R U . . .
N2_3 N 0.2146(3) 0.3802(3) 0.0782(3) 0.0686(15) Uani 1 1 d . . . . .
H2A_3 H 0.225658 0.421239 0.093016 0.082 Uiso 1 1 calc R U . . .
O1_3 O 0.6795(2) 0.01832(19) 0.50395(19) 0.0585(11) Uani 1 1 d . . . . .
O2_3 O 0.5710(2) 0.04607(18) 0.42327(19) 0.0552(10) Uani 1 1 d . . . . .
O3_3 O 0.4002(2) 0.1318(2) 0.4604(2) 0.0681(12) Uani 1 1 d . . . . .
O4_3 O 0.1486(3) 0.3132(3) -0.0064(2) 0.0844(15) Uani 1 1 d . . . . .
O5_3 O 0.2387(3) 0.5874(2) 0.0053(2) 0.0726(13) Uani 1 1 d . . . . .
O6_3 O 0.2301(2) 0.5067(2) 0.0692(2) 0.0639(11) Uani 1 1 d . . . . .
C1_4 C 0.8978(3) 0.5418(3) 0.5273(3) 0.0541(15) Uani 1 1 d . . . . .
C2_4 C 0.9483(4) 0.5443(3) 0.5833(3) 0.0643(18) Uani 1 1 d . . . . .
H2_4 H 0.935623 0.531796 0.614704 0.077 Uiso 1 1 calc R U . . .
C3_4 C 1.0199(3) 0.5658(3) 0.5944(3) 0.0644(18) Uani 1 1 d . . . . .
H3_4 H 1.056058 0.566704 0.632981 0.077 Uiso 1 1 calc R U . . .
C4_4 C 1.0365(3) 0.5855(3) 0.5481(3) 0.0624(17) Uani 1 1 d . . . . .
H4_4 H 1.084516 0.600299 0.555827 0.075 Uiso 1 1 calc R U . . .
C5_4 C 0.9857(3) 0.5846(3) 0.4910(3) 0.0538(15) Uani 1 1 d . . . . .
C6_4 C 0.9154(3) 0.5602(3) 0.4803(3) 0.0540(15) Uani 1 1 d . . . . .
C7_4 C 1.0055(4) 0.6129(3) 0.4461(3) 0.0562(16) Uani 1 1 d . . . . .
C8_4 C 0.9580(3) 0.6639(3) 0.3540(3) 0.0557(16) Uani 1 1 d . . . . .
C9_4 C 0.9101(3) 0.6522(3) 0.2963(3) 0.0618(17) Uani 1 1 d . . . . .
H9_4 H 0.875385 0.616631 0.284233 0.074 Uiso 1 1 calc R U . . .
C10_4 C 0.9116(4) 0.6921(3) 0.2546(3) 0.0639(18) Uani 1 1 d . . . . .
H10_4 H 0.877975 0.683132 0.214510 0.077 Uiso 1 1 calc R U . . .
C11_4 C 0.9619(3) 0.7450(3) 0.2713(3) 0.0579(16) Uani 1 1 d . . . . .
C12_4 C 1.0093(4) 0.7551(3) 0.3294(3) 0.0624(17) Uani 1 1 d . . . . .
H12_4 H 1.044640 0.790102 0.341687 0.075 Uiso 1 1 calc R U . . .
C13_4 C 1.0080(4) 0.7165(3) 0.3709(3) 0.0628(17) Uani 1 1 d . . . . .
H13_4 H 1.041195 0.725930 0.411142 0.075 Uiso 1 1 calc R U . . .
C14_4 C 0.9604(3) 0.7885(3) 0.2264(3) 0.0594(17) Uani 1 1 d . . . . .
C15_4 C 0.9693(4) 0.8550(3) 0.2436(3) 0.0659(18) Uani 1 1 d . . . . .
H15_4 H 0.977456 0.872824 0.283877 0.079 Uiso 1 1 calc R U . . .
C16_4 C 0.9663(4) 0.8954(3) 0.2013(3) 0.0642(18) Uani 1 1 d . . . . .
H16_4 H 0.973469 0.940576 0.213746 0.077 Uiso 1 1 calc R U . . .
C17_4 C 0.9531(3) 0.8714(3) 0.1422(3) 0.0626(18) Uani 1 1 d . . . . .
C18_4 C 0.9451(4) 0.8043(3) 0.1252(3) 0.0714(19) Uani 1 1 d . . . . .
H18_4 H 0.937173 0.786176 0.084972 0.086 Uiso 1 1 calc R U . . .
C19_4 C 0.9487(4) 0.7654(3) 0.1675(3) 0.0697(19) Uani 1 1 d . . . . .
H19_4 H 0.942878 0.720172 0.155291 0.084 Uiso 1 1 calc R U . . .
C20_4 C 0.9470(4) 0.9045(3) 0.0455(3) 0.0626(17) Uani 1 1 d . . . . .
C21_4 C 0.9225(3) 0.9563(3) 0.0085(3) 0.0600(17) Uani 1 1 d . . . . .
C22_4 C 0.9104(4) 0.9430(4) -0.0527(3) 0.077(2) Uani 1 1 d . . . . .
H22_4 H 0.921879 0.902669 -0.068368 0.093 Uiso 1 1 calc R U . . .
C23_4 C 0.8819(4) 0.9872(4) -0.0914(3) 0.085(2) Uani 1 1 d . . . . .
H23_4 H 0.874989 0.977167 -0.132659 0.102 Uiso 1 1 calc R U . . .
C24_4 C 0.8634(4) 1.0463(4) -0.0696(3) 0.074(2) Uani 1 1 d . . . . .
H24_4 H 0.842853 1.076374 -0.095833 0.089 Uiso 1 1 calc R U . . .
C25_4 C 0.8753(4) 1.0600(3) -0.0100(3) 0.0629(17) Uani 1 1 d . . . . .
C26_4 C 0.9068(3) 1.0162(3) 0.0299(3) 0.0630(18) Uani 1 1 d . . . . .
N1_4 N 0.9524(3) 0.6252(2) 0.3963(2) 0.0566(13) Uani 1 1 d . . . . .
H1_4 H 0.909567 0.607249 0.389182 0.068 Uiso 1 1 calc R U . . .
N2_4 N 0.9461(3) 0.9153(3) 0.1019(2) 0.0642(14) Uani 1 1 d . . . . .
H2A_4 H 0.940388 0.955080 0.114892 0.077 Uiso 1 1 calc R U . . .
O1_4 O 0.8270(2) 0.52317(19) 0.51053(18) 0.0573(11) Uani 1 1 d . . . . .
O2_4 O 0.8609(2) 0.55316(18) 0.42708(18) 0.0524(10) Uani 1 1 d . . . . .
O3_4 O 1.0698(2) 0.6274(2) 0.45512(19) 0.0626(11) Uani 1 1 d . . . . .
O4_4 O 0.9650(3) 0.8541(2) 0.0253(2) 0.0773(14) Uani 1 1 d . . . . .
O5_4 O 0.8595(2) 1.1154(2) 0.01847(19) 0.0628(11) Uani 1 1 d . . . . .
O6_4 O 0.9174(2) 1.03868(19) 0.0874(2) 0.0586(11) Uani 1 1 d . . . . .
C1_5 C 0.6656(3) 0.5649(3) 0.4555(3) 0.0596(17) Uani 1 1 d . . . . .
C2_5 C 0.6036(4) 0.5675(4) 0.4670(3) 0.076(2) Uani 1 1 d . . . . .
H2_5 H 0.577176 0.529337 0.466640 0.091 Uiso 1 1 calc R U . . .
C3_5 C 0.5802(4) 0.6282(4) 0.4792(4) 0.088(2) Uani 1 1 d . . . . .
H3_5 H 0.537677 0.631075 0.487789 0.106 Uiso 1 1 calc R U . . .
C4_5 C 0.6178(4) 0.6840(4) 0.4791(4) 0.090(3) Uani 1 1 d . . . . .
H4_5 H 0.601030 0.724387 0.488054 0.108 Uiso 1 1 calc R U . . .
C5_5 C 0.6804(4) 0.6819(3) 0.4658(3) 0.071(2) Uani 1 1 d . . . . .
C6_5 C 0.7037(3) 0.6216(3) 0.4553(3) 0.0591(16) Uani 1 1 d . . . . .
C7_5 C 0.7159(4) 0.7418(4) 0.4608(4) 0.081(2) Uani 1 1 d . . . . .
C8_5 C 0.7956(4) 0.7863(3) 0.4161(3) 0.0671(18) Uani 1 1 d . . . . .
C9_5 C 0.8666(4) 0.7854(3) 0.4221(4) 0.081(2) Uani 1 1 d . . . . .
H9_5 H 0.894058 0.751899 0.439203 0.097 Uiso 1 1 calc R U . . .
C10_5 C 0.8978(4) 0.8335(4) 0.4031(4) 0.081(2) Uani 1 1 d . . . . .
H10_5 H 0.947027 0.833351 0.408501 0.097 Uiso 1 1 calc R U . . .
C11_5 C 0.8583(4) 0.8817(3) 0.3766(3) 0.0676(19) Uani 1 1 d . . . . .
C12_5 C 0.7859(4) 0.8820(3) 0.3704(3) 0.0640(18) Uani 1 1 d . . . . .
H12_5 H 0.758083 0.915184 0.352936 0.077 Uiso 1 1 calc R U . . .
C13_5 C 0.7551(4) 0.8345(3) 0.3896(3) 0.0649(18) Uani 1 1 d . . . . .
H13_5 H 0.705967 0.834626 0.384764 0.078 Uiso 1 1 calc R U . . .
C14_5 C 0.8897(4) 0.9317(3) 0.3542(3) 0.0636(18) Uani 1 1 d . . . . .
C15_5 C 0.8489(4) 0.9558(3) 0.3023(3) 0.0672(18) Uani 1 1 d . . . . .
H15_5 H 0.800366 0.939911 0.281373 0.081 Uiso 1 1 calc R U . . .
C16_5 C 0.8785(4) 1.0028(3) 0.2808(3) 0.0694(19) Uani 1 1 d . . . . .
H16_5 H 0.849687 1.018679 0.245457 0.083 Uiso 1 1 calc R U . . .
C17_5 C 0.9483(4) 1.0264(3) 0.3096(3) 0.0641(18) Uani 1 1 d . . . . .
C18_5 C 0.9895(4) 1.0049(4) 0.3621(3) 0.076(2) Uani 1 1 d . . . . .
H18_5 H 1.037552 1.022161 0.383500 0.091 Uiso 1 1 calc R U . . .
C19_5 C 0.9598(4) 0.9577(4) 0.3833(3) 0.073(2) Uani 1 1 d . . . . .
H19_5 H 0.988658 0.942639 0.419108 0.088 Uiso 1 1 calc R U . . .
C20_5 C 1.0376(4) 1.1045(4) 0.2996(4) 0.085(2) Uani 1 1 d . . . . .
C21_5 C 1.0518(4) 1.1405(4) 0.2559(3) 0.072(2) Uani 1 1 d . . . . .
C22_5 C 1.1200(4) 1.1695(4) 0.2704(4) 0.099(3) Uani 1 1 d . . . . .
H22_5 H 1.154295 1.170437 0.309795 0.119 Uiso 1 1 calc R U . . .
C23_5 C 1.1393(4) 1.1972(5) 0.2290(4) 0.103(3) Uani 1 1 d . . . . .
H23_5 H 1.185762 1.218127 0.240708 0.124 Uiso 1 1 calc R U . . .
C24_5 C 1.0910(4) 1.1944(4) 0.1703(4) 0.084(2) Uani 1 1 d . . . . .
H24_5 H 1.104501 1.212132 0.141419 0.101 Uiso 1 1 calc R U . . .
C25_5 C 1.0235(4) 1.1655(3) 0.1550(3) 0.0639(18) Uani 1 1 d . . . . .
C26_5 C 1.0035(3) 1.1407(3) 0.1983(3) 0.0627(17) Uani 1 1 d . . . . .
N1_5 N 0.7626(3) 0.7350(3) 0.4332(3) 0.0698(16) Uani 1 1 d . . . . .
H1_5 H 0.774168 0.695814 0.424771 0.084 Uiso 1 1 calc R U . . .
N2_5 N 0.9733(3) 1.0721(3) 0.2818(3) 0.0701(16) Uani 1 1 d . . . . .
H2A_5 H 0.941715 1.080507 0.247862 0.084 Uiso 1 1 calc R U . . .
O1_5 O 0.6972(2) 0.51111(19) 0.44390(19) 0.0583(11) Uani 1 1 d . . . . .
O2_5 O 0.7634(2) 0.61093(18) 0.44356(19) 0.0571(11) Uani 1 1 d . . . . .
O3_5 O 0.7039(4) 0.7957(3) 0.4820(3) 0.113(2) Uani 1 1 d . . . . .
O4_5 O 1.0840(3) 1.1039(3) 0.3509(3) 0.110(2) Uani 1 1 d . . . . .
O5_5 O 0.9715(2) 1.1581(2) 0.1002(2) 0.0614(11) Uani 1 1 d . . . . .
O6_5 O 0.9338(2) 1.11778(19) 0.17680(19) 0.0595(11) Uani 1 1 d . . . . .
C1_6 C 0.7941(4) 1.1918(3) 0.1140(3) 0.0621(17) Uani 1 1 d . . . . .
C2_6 C 0.7579(4) 1.2433(3) 0.1247(3) 0.075(2) Uani 1 1 d . . . . .
H2_6 H 0.776260 1.285792 0.126581 0.091 Uiso 1 1 calc R U . . .
C3_6 C 0.6930(4) 1.2323(4) 0.1328(4) 0.086(2) Uani 1 1 d . . . . .
H3_6 H 0.666642 1.267494 0.139371 0.103 Uiso 1 1 calc R U . . .
C4_6 C 0.6674(4) 1.1701(3) 0.1312(3) 0.076(2) Uani 1 1 d . . . . .
H4_6 H 0.623241 1.163147 0.136419 0.091 Uiso 1 1 calc R U . . .
C5_6 C 0.7056(4) 1.1173(3) 0.1219(3) 0.0635(18) Uani 1 1 d . . . . .
C6_6 C 0.7685(3) 1.1290(3) 0.1122(3) 0.0606(17) Uani 1 1 d . . . . .
C7_6 C 0.6774(4) 1.0528(3) 0.1249(3) 0.0668(18) Uani 1 1 d . . . . .
C8_6 C 0.7178(3) 0.9443(3) 0.1466(3) 0.0644(18) Uani 1 1 d . . . . .
C9_6 C 0.7651(4) 0.9014(3) 0.1381(3) 0.0703(19) Uani 1 1 d . . . . .
H9_6 H 0.799203 0.913706 0.121829 0.084 Uiso 1 1 calc R U . . .
C10_6 C 0.7632(4) 0.8402(3) 0.1533(3) 0.073(2) Uani 1 1 d . . . . .
H10_6 H 0.796822 0.811440 0.147705 0.088 Uiso 1 1 calc R U . . .
C11_6 C 0.7138(4) 0.8197(3) 0.1762(3) 0.0649(18) Uani 1 1 d . . . . .
C12_6 C 0.6672(4) 0.8643(3) 0.1849(3) 0.0703(19) Uani 1 1 d . . . . .
H12_6 H 0.633335 0.852242 0.201373 0.084 Uiso 1 1 calc R U . . .
C13_6 C 0.6685(4) 0.9264(3) 0.1701(3) 0.0675(18) Uani 1 1 d . . . . .
H13_6 H 0.635679 0.955720 0.176300 0.081 Uiso 1 1 calc R U . . .
C14_6 C 0.7126(4) 0.7553(3) 0.1935(3) 0.0665(18) Uani 1 1 d . . . . .
C15_6 C 0.7001(4) 0.7455(3) 0.2448(3) 0.074(2) Uani 1 1 d . . . . .
H15_6 H 0.690769 0.781070 0.268763 0.089 Uiso 1 1 calc R U . . .
C16_6 C 0.7011(4) 0.6850(3) 0.2618(3) 0.0703(19) Uani 1 1 d . . . . .
H16_6 H 0.690360 0.679303 0.296114 0.084 Uiso 1 1 calc R U . . .
C17_6 C 0.7176(3) 0.6328(3) 0.2289(3) 0.0591(16) Uani 1 1 d . . . . .
C18_6 C 0.7285(4) 0.6410(3) 0.1770(3) 0.0667(18) Uani 1 1 d . . . . .
H18_6 H 0.737278 0.605339 0.152730 0.080 Uiso 1 1 calc R U . . .
C19_6 C 0.7267(3) 0.7022(3) 0.1603(3) 0.0656(18) Uani 1 1 d . . . . .
H19_6 H 0.735425 0.707476 0.125002 0.079 Uiso 1 1 calc R U . . .
C20_6 C 0.7304(3) 0.5153(3) 0.2247(3) 0.0627(17) Uani 1 1 d . . . . .
C21_6 C 0.7449(3) 0.4645(3) 0.2639(3) 0.0570(16) Uani 1 1 d . . . . .
C22_6 C 0.7586(4) 0.4032(3) 0.2388(3) 0.0663(18) Uani 1 1 d . . . . .
H22_6 H 0.753607 0.395506 0.197802 0.080 Uiso 1 1 calc R U . . .
C23_6 C 0.7789(4) 0.3555(3) 0.2737(3) 0.0672(18) Uani 1 1 d . . . . .
H23_6 H 0.785893 0.314443 0.256004 0.081 Uiso 1 1 calc R U . . .
C24_6 C 0.7895(3) 0.3661(3) 0.3350(3) 0.0630(17) Uani 1 1 d . . . . .
H24_6 H 0.805330 0.333266 0.359154 0.076 Uiso 1 1 calc R U . . .
C25_6 C 0.7764(3) 0.4254(3) 0.3593(3) 0.0567(16) Uani 1 1 d . . . . .
C26_6 C 0.7517(3) 0.4733(3) 0.3235(3) 0.0570(16) Uani 1 1 d . . . . .
N1_6 N 0.7257(3) 1.0074(3) 0.1334(3) 0.0673(15) Uani 1 1 d . . . . .
H1_6 H 0.766695 1.018205 0.130300 0.081 Uiso 1 1 calc R U . . .
N2_6 N 0.7231(3) 0.5740(3) 0.2515(2) 0.0608(14) Uani 1 1 d . . . . .
H2A_6 H 0.721565 0.575672 0.287642 0.073 Uiso 1 1 calc R U . . .
O1_6 O 0.8568(2) 1.1947(2) 0.1050(2) 0.0635(11) Uani 1 1 d . . . . .
O2_6 O 0.8106(2) 1.08385(19) 0.10081(19) 0.0590(11) Uani 1 1 d . . . . .
O3_6 O 0.6152(3) 1.0413(2) 0.1208(3) 0.0865(16) Uani 1 1 d . . . . .
O4_6 O 0.7259(3) 0.5044(2) 0.1721(2) 0.0730(13) Uani 1 1 d . . . . .
O5_6 O 0.7863(2) 0.44370(18) 0.41730(19) 0.0559(10) Uani 1 1 d . . . . .
O6_6 O 0.7387(2) 0.52725(19) 0.35360(19) 0.0566(10) Uani 1 1 d . . . . .
C1_8 C 0.0088(5) 0.5225(5) 0.2728(5) 0.132(4) Uani 1 1 d . . . . .
H1A_8 H 0.014059 0.562924 0.299765 0.198 Uiso 1 1 d R U . . .
H1B_8 H -0.031887 0.495393 0.272170 0.198 Uiso 1 1 d R U . . .
H1C_8 H 0.000287 0.531634 0.232135 0.198 Uiso 1 1 d R U . . .
C2_8 C 0.2360(6) 0.3644(5) 0.3756(5) 0.136(4) Uani 1 1 d . . . . .
H2A_8 H 0.244913 0.364968 0.338411 0.204 Uiso 1 1 d R U . . .
H2B_8 H 0.201765 0.328107 0.370357 0.204 Uiso 1 1 d R U . . .
H2C_8 H 0.281068 0.360018 0.408401 0.204 Uiso 1 1 d R U . . .
C3_8 C 0.1867(5) 0.6870(5) 0.3834(5) 0.120(3) Uani 1 1 d . . . . .
H3A_8 H 0.230496 0.678067 0.375664 0.179 Uiso 1 1 d R U . . .
H3B_8 H 0.198701 0.717404 0.420608 0.179 Uiso 1 1 d R U . . .
H3C_8 H 0.153393 0.705593 0.349918 0.179 Uiso 1 1 d R U . . .
C5_8 C 1.1060(14) 1.3007(6) 0.4322(9) 0.337(17) Uani 1 1 d . . . . .
H5A_8 H 1.067204 1.317035 0.444179 0.506 Uiso 1 1 d R U . . .
H5B_8 H 1.107515 1.320970 0.398315 0.506 Uiso 1 1 d R U . . .
H5C_8 H 1.151793 1.310893 0.466015 0.506 Uiso 1 1 d R U . . .
C6_8 C 0.6305(11) 0.5916(6) 0.0199(6) 0.226(10) Uani 1 1 d D . . . .
H6A_8 H 0.610845 0.605329 0.050863 0.271 Uiso 1 1 d R U . . .
H6B_8 H 0.604080 0.609566 -0.016569 0.271 Uiso 1 1 d R U . . .
H6C_8 H 0.681182 0.607020 0.034442 0.271 Uiso 1 1 d R U . . .
C7_8 C 0.607561 0.339766 0.030362 0.256 Uani 1 1 d . . . . .
H7A_8 H 0.574914 0.347743 -0.009029 0.307 Uiso 1 1 d R U . . .
H7B_8 H 0.582676 0.343948 0.058707 0.307 Uiso 1 1 d R U . . .
H7C_8 H 0.623402 0.296254 0.026795 0.307 Uiso 1 1 d R U . . .
C8_8 C 0.6546(4) 0.4060(4) 0.5338(3) 0.078(2) Uani 1 1 d . . . . .
H8A_8 H 0.665717 0.390543 0.572465 0.118 Uiso 1 1 d R U . . .
H8B_8 H 0.637410 0.369480 0.501239 0.118 Uiso 1 1 d R U . . .
H8C_8 H 0.617498 0.436450 0.528780 0.118 Uiso 1 1 d R U . . .
C9_8 C 0.8417(5) 0.1108(5) 0.6038(4) 0.123(4) Uani 1 1 d . . . . .
H9A_8 H 0.856757 0.116889 0.570443 0.185 Uiso 1 1 d R U . . .
H9B_8 H 0.883771 0.116000 0.641260 0.185 Uiso 1 1 d R U . . .
H9C_8 H 0.808173 0.142827 0.607179 0.185 Uiso 1 1 d R U . . .
C10_8 C 0.8530(9) 0.0155(9) 0.7457(6) 0.242(9) Uani 1 1 d . . . . .
H10C_8 H 0.893896 0.030274 0.736477 0.363 Uiso 1 1 d R U . . .
H10D_8 H 0.863089 -0.024541 0.762700 0.363 Uiso 1 1 d R U . . .
H10E_8 H 0.844815 0.048353 0.774845 0.363 Uiso 1 1 d R U . . .
C11_8 C 1.0168(7) 0.5446(6) -0.0564(8) 0.202(7) Uani 1 1 d . . . . .
H11A_8 H 0.986287 0.545702 -0.098308 0.303 Uiso 1 1 d R U . . .
H11B_8 H 0.987103 0.533311 -0.034155 0.303 Uiso 1 1 d R U . . .
H11C_8 H 1.051720 0.512468 -0.054774 0.303 Uiso 1 1 d R U . . .
C13_8 C 0.7755(10) 1.1371(11) 0.2917(8) 0.274(12) Uani 1 1 d . . . . .
H13A_8 H 0.743488 1.171389 0.292418 0.410 Uiso 1 1 d R U . . .
H13B_8 H 0.798516 1.126564 0.332331 0.410 Uiso 1 1 d R U . . .
H13C_8 H 0.747678 1.098859 0.264802 0.410 Uiso 1 1 d R U . . .
O1_8 O 0.0744(3) 0.4904(3) 0.2930(3) 0.1021(18) Uani 1 1 d . . . . .
H1_8 H 0.069036 0.454386 0.271588 0.153 Uiso 1 1 calc R U . . .
O2_8 O 0.1523(3) 0.6269(3) 0.3892(2) 0.0882(16) Uani 1 1 d . . . . .
H2X_8 H 0.173667 0.617337 0.423559 0.132 Uiso 1 1 calc R U . . .
O3_8 O 0.2083(3) 0.4210(3) 0.3898(3) 0.1096(19) Uani 1 1 d . . . . .
H3_8 H 0.209719 0.424208 0.425203 0.164 Uiso 1 1 calc R U . . .
O4_8 O 0.7190(2) 0.4374(2) 0.5328(2) 0.0700(12) Uani 1 1 d . . . . .
H4X_8 H 0.709034 0.453683 0.501158 0.105 Uiso 1 1 calc R U . . .
O5_8 O 1.2538(3) 1.1178(3) 0.3942(2) 0.1036(19) Uani 1 1 d . . . . .
H5D_8 H 1.262857 1.137245 0.364055 0.155 Uiso 0.5 1 calc R U P . .
H5E_8 H 1.278330 1.081574 0.408016 0.155 Uiso 0.5 1 calc R U P . .
O6_8 O 1.1864(2) 1.0688(2) 0.4787(2) 0.0750(13) Uani 1 1 d . . . . .
H6D_8 H 1.155563 1.057630 0.498453 0.112 Uiso 0.5 1 calc R U P . .
H6E_8 H 1.223597 1.042320 0.477440 0.112 Uiso 0.5 1 calc R U P . .
O7_8 O 1.1002(6) 1.2406(5) 0.4192(5) 0.202(4) Uani 1 1 d . . . . .
H7X_8 H 1.061044 1.228879 0.390845 0.302 Uiso 1 1 calc R U . . .
O8_8 O 0.1218(4) 0.7236(3) -0.0348(4) 0.141(3) Uani 1 1 d . . . . .
H8D_8 H 0.123877 0.691075 -0.065329 0.211 Uiso 0.5 1 calc R U P . .
H8E_8 H 0.085066 0.752501 -0.043965 0.211 Uiso 0.5 1 calc R U P . .
O13_8 O 0.6264(5) 0.5242(6) 0.0078(3) 0.177(4) Uani 1 1 d D . . . .
H13_8 H 0.619(5) 0.5112(11) -0.0303(10) 0.265 Uiso 1 1 d D U . . .
O14_8 O 0.6668(4) 0.3831(4) 0.0506(3) 0.146(3) Uani 1 1 d . . . . .
O15_8 O 0.8096(3) 0.0490(3) 0.5938(3) 0.0978(17) Uani 1 1 d . . . . .
H15_8 H 0.767833 0.047214 0.568173 0.147 Uiso 1 1 calc R U . . .
O16_8 O 0.7911(4) 0.0038(5) 0.6899(4) 0.176(4) Uani 1 1 d . . . . .
H16_8 H 0.804382 -0.009087 0.661413 0.264 Uiso 1 1 calc R U . . .
O17_8 O 1.0521(6) 0.6048(5) -0.0309(4) 0.191(4) Uani 1 1 d . . . . .
H17_8 H 1.069244 0.607079 0.006680 0.286 Uiso 1 1 calc R U . . .
O18_8 O 0.8295(7) 1.1589(7) 0.2710(7) 0.271(6) Uani 1 1 d . . . . .
H18_8 H 0.812113 1.184064 0.246047 0.407 Uiso 1 1 calc R U . . .
O19_8 O 0.9888(3) 0.7096(3) 0.0024(3) 0.0973(17) Uani 1 1 d G . . . .
H19A_8 H 0.995629 0.676539 -0.020054 0.146 Uiso 1 1 d DG U . . .
H19B_8 H 0.942499 0.711433 -0.010838 0.146 Uiso 1 1 d DG U . . .
O9_8 O 0.1166(3) 0.7778(3) 0.0932(3) 0.110(2) Uani 1 1 d . . . . .
H9D_8 H 0.112042 0.769572 0.129442 0.164 Uiso 0.5 1 calc R U P . .
H9E_8 H 0.084553 0.804099 0.068639 0.164 Uiso 0.5 1 calc R U P . .
O10_8 O 0.2584(3) 0.8288(3) 0.0550(3) 0.140(3) Uani 1 1 d . . . . .
H10A_8 H 0.225056 0.855737 0.044699 0.211 Uiso 1 1 d R U . . .
H10B_8 H 0.273160 0.823113 0.024886 0.211 Uiso 1 1 d R U . . .
O11_8 O 0.4440(8) 1.0535(6) 0.0068(4) 0.128(5) Uani 0.5 1 d . . P . .
H11D_8 H 0.463971 1.093919 0.004499 0.192 Uiso 0.5 1 calc R U P . .
H11E_8 H 0.396102 1.039121 -0.018506 0.192 Uiso 0.5 1 calc R U P . .
O12_8 O 0.4193(10) 0.8866(12) 0.0245(6) 0.256(13) Uani 0.5 1 d . . P . .
H12D_8 H 0.436658 0.845193 0.028272 0.384 Uiso 0.5 1 calc R U P . .
H12E_8 H 0.369773 0.890726 0.003893 0.384 Uiso 0.5 1 calc R U P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.1353 0.1239 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 '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
_geom_angle_publ_flag
O4_1 Na2 O3_8 107.8(2) . . ?
O4_1 Na2 O2_8 95.9(2) . . ?
O3_8 Na2 O2_8 154.3(2) . . ?
O4_1 Na2 O1_8 102.2(2) . . ?
O3_8 Na2 O1_8 93.1(3) . . ?
O2_8 Na2 O1_8 91.6(2) . . ?
O4_1 Na2 O4_8 92.7(2) . 2_666 ?
O3_8 Na2 O4_8 89.1(2) . 2_666 ?
O2_8 Na2 O4_8 79.6(2) . 2_666 ?
O1_8 Na2 O4_8 163.4(2) . 2_666 ?
O4_1 Na2 Na3 125.3(2) . 2_666 ?
O3_8 Na2 Na3 105.82(18) . 2_666 ?
O2_8 Na2 Na3 50.31(14) . 2_666 ?
O1_8 Na2 Na3 117.63(18) . 2_666 ?
O4_8 Na2 Na3 46.26(13) 2_666 2_666 ?
O3_1 Na3 O3_4 88.05(18) . 2_766 ?
O3_1 Na3 O5_6 101.46(18) . . ?
O3_4 Na3 O5_6 114.89(16) 2_766 . ?
O3_1 Na3 O4_8 113.55(18) . . ?
O3_4 Na3 O4_8 137.74(19) 2_766 . ?
O5_6 Na3 O4_8 96.63(16) . . ?
O3_1 Na3 O2_8 95.90(19) . 2_666 ?
O3_4 Na3 O2_8 66.28(16) 2_766 2_666 ?
O5_6 Na3 O2_8 162.6(2) . 2_666 ?
O4_8 Na3 O2_8 75.34(17) . 2_666 ?
O3_1 Na3 O1_4 160.13(18) . . ?
O3_4 Na3 O1_4 99.98(16) 2_766 . ?
O5_6 Na3 O1_4 58.66(14) . . ?
O4_8 Na3 O1_4 72.18(15) . . ?
O2_8 Na3 O1_4 103.97(18) 2_666 . ?
O3_1 Na3 Na2 134.48(15) . 2_666 ?
O3_4 Na3 Na2 92.19(14) 2_766 2_666 ?
O5_6 Na3 Na2 119.23(14) . 2_666 ?
O4_8 Na3 Na2 46.46(13) . 2_666 ?
O2_8 Na3 Na2 44.45(14) 2_666 2_666 ?
O1_4 Na3 Na2 63.87(11) . 2_666 ?
O3_1 Na3 Si1 129.04(15) . . ?
O3_4 Na3 Si1 117.06(13) 2_766 . ?
O5_6 Na3 Si1 28.70(11) . . ?
O4_8 Na3 Si1 78.04(12) . . ?
O2_8 Na3 Si1 134.14(16) 2_666 . ?
O1_4 Na3 Si1 31.48(9) . . ?
Na2 Na3 Si1 90.69(8) 2_666 . ?
O3_1 Na3 H2X_8 97.6(15) . 2_666 ?
O3_4 Na3 H2X_8 73.1(4) 2_766 2_666 ?
O5_6 Na3 H2X_8 159.5(15) . 2_666 ?
O4_8 Na3 H2X_8 68.5(8) . 2_666 ?
O2_8 Na3 H2X_8 6.9(6) 2_666 2_666 ?
O1_4 Na3 H2X_8 102.1(15) . 2_666 ?
Na2 Na3 H2X_8 40.2(14) 2_666 2_666 ?
Si1 Na3 H2X_8 130.9(15) . 2_666 ?
O3_5 Na4 O3_3 90.26(19) . 2_666 ?
O3_5 Na4 O1_2 109.1(2) . 1_565 ?
O3_3 Na4 O1_2 113.03(18) 2_666 1_565 ?
O3_5 Na4 O5_8 82.5(2) . 2_776 ?
O3_3 Na4 O5_8 71.33(17) 2_666 2_776 ?
O1_2 Na4 O5_8 167.1(2) 1_565 2_776 ?
O3_5 Na4 O1_3 163.49(19) . 1_565 ?
O3_3 Na4 O1_3 105.88(17) 2_666 1_565 ?
O1_2 Na4 O1_3 61.78(15) 1_565 1_565 ?
O5_8 Na4 O1_3 105.6(2) 2_776 1_565 ?
O3_5 Na4 O6_8 89.3(2) . 2_776 ?
O3_3 Na4 O6_8 147.19(19) 2_666 2_776 ?
O1_2 Na4 O6_8 98.03(16) 1_565 2_776 ?
O5_8 Na4 O6_8 76.09(17) 2_776 2_776 ?
O1_3 Na4 O6_8 79.05(15) 1_565 2_776 ?
O3_5 Na4 Na6 55.9(2) . 2_776 ?
O3_3 Na4 Na6 109.69(15) 2_666 2_776 ?
O1_2 Na4 Na6 134.68(15) 1_565 2_776 ?
O5_8 Na4 Na6 47.43(15) 2_776 2_776 ?
O1_3 Na4 Na6 119.24(14) 1_565 2_776 ?
O6_8 Na4 Na6 45.68(12) 2_776 2_776 ?
O3_5 Na4 Si3 134.75(18) . 1_565 ?
O3_3 Na4 Si3 119.82(14) 2_666 1_565 ?
O1_2 Na4 Si3 30.71(11) 1_565 1_565 ?
O5_8 Na4 Si3 136.43(18) 2_776 1_565 ?
O1_3 Na4 Si3 32.48(10) 1_565 1_565 ?
O6_8 Na4 Si3 82.02(12) 2_776 1_565 ?
Na6 Na4 Si3 127.51(10) 2_776 1_565 ?
O3_5 Na4 H5E_8 104.1(3) . 2_776 ?
O3_3 Na4 H5E_8 68.6(2) 2_666 2_776 ?
O1_2 Na4 H5E_8 146.7(2) 1_565 2_776 ?
O5_8 Na4 H5E_8 21.78(6) 2_776 2_776 ?
O1_3 Na4 H5E_8 85.4(2) 1_565 2_776 ?
O6_8 Na4 H5E_8 79.71(19) 2_776 2_776 ?
Na6 Na4 H5E_8 64.95(19) 2_776 2_776 ?
Si3 Na4 H5E_8 117.6(2) 1_565 2_776 ?
O3_5 Na4 H6E_8 110.0(2) . 2_776 ?
O3_3 Na4 H6E_8 142.3(2) 2_666 2_776 ?
O1_2 Na4 H6E_8 90.68(18) 1_565 2_776 ?
O5_8 Na4 H6E_8 79.86(19) 2_776 2_776 ?
O1_3 Na4 H6E_8 58.79(17) 1_565 2_776 ?
O6_8 Na4 H6E_8 20.69(5) 2_776 2_776 ?
Na6 Na4 H6E_8 62.82(15) 2_776 2_776 ?
Si3 Na4 H6E_8 67.53(14) 1_565 2_776 ?
H5E_8 Na4 H6E_8 75.5 2_776 2_776 ?
O4_4 Na5 O5_5 105.29(18) . 2_775 ?
O4_4 Na5 O19_8 83.80(19) . . ?
O5_5 Na5 O19_8 126.7(2) 2_775 . ?
O4_4 Na5 O8_8 163.4(2) . 1_655 ?
O5_5 Na5 O8_8 88.2(2) 2_775 1_655 ?
O19_8 Na5 O8_8 80.3(2) . 1_655 ?
O4_4 Na5 O9_8 91.5(2) . 1_655 ?
O5_5 Na5 O9_8 155.0(2) 2_775 1_655 ?
O19_8 Na5 O9_8 72.6(2) . 1_655 ?
O8_8 Na5 O9_8 79.1(2) 1_655 1_655 ?
O4_4 Na5 O5_4 113.01(18) . 2_775 ?
O5_5 Na5 O5_4 58.76(15) 2_775 2_775 ?
O19_8 Na5 O5_4 161.3(2) . 2_775 ?
O8_8 Na5 O5_4 82.08(18) 1_655 2_775 ?
O9_8 Na5 O5_4 97.87(18) 1_655 2_775 ?
O4_4 Na5 Si2 117.54(14) . 2_775 ?
O5_5 Na5 Si2 28.78(11) 2_775 2_775 ?
O19_8 Na5 Si2 147.74(19) . 2_775 ?
O8_8 Na5 Si2 78.91(14) 1_655 2_775 ?
O9_8 Na5 Si2 126.48(16) 1_655 2_775 ?
O5_4 Na5 Si2 30.97(10) 2_775 2_775 ?
O4_4 Na5 Na7 132.43(19) . 1_655 ?
O5_5 Na5 Na7 118.60(15) 2_775 1_655 ?
O19_8 Na5 Na7 84.24(17) . 1_655 ?
O8_8 Na5 Na7 41.0(2) 1_655 1_655 ?
O9_8 Na5 Na7 41.05(17) 1_655 1_655 ?
O5_4 Na5 Na7 78.31(13) 2_775 1_655 ?
Si2 Na5 Na7 95.82(9) 2_775 1_655 ?
O4_4 Na5 H8E_8 164.9(3) . 1_655 ?
O5_5 Na5 H8E_8 75.4(3) 2_775 1_655 ?
O19_8 Na5 H8E_8 83.9(3) . 1_655 ?
O8_8 Na5 H8E_8 14.07(9) 1_655 1_655 ?
O9_8 Na5 H8E_8 93.1(3) 1_655 1_655 ?
O5_4 Na5 H8E_8 80.6(3) 2_775 1_655 ?
Si2 Na5 H8E_8 70.4(2) 2_775 1_655 ?
Na7 Na5 H8E_8 54.6(3) 1_655 1_655 ?
O4_4 Na5 H9E_8 77.5(2) . 1_655 ?
O5_5 Na5 H9E_8 155.1(3) 2_775 1_655 ?
O19_8 Na5 H9E_8 78.0(2) . 1_655 ?
O8_8 Na5 H9E_8 94.3(3) 1_655 1_655 ?
O9_8 Na5 H9E_8 15.54(7) 1_655 1_655 ?
O5_4 Na5 H9E_8 97.1(2) 2_775 1_655 ?
Si2 Na5 H9E_8 127.9(2) 2_775 1_655 ?
Na7 Na5 H9E_8 55.0(2) 1_655 1_655 ?
H8E_8 Na5 H9E_8 108.4 1_655 1_655 ?
O7_8 Na6 O6_8 140.2(3) . . ?
O7_8 Na6 O4_5 85.6(4) . . ?
O6_8 Na6 O4_5 89.9(2) . . ?
O7_8 Na6 O5_8 134.9(3) . . ?
O6_8 Na6 O5_8 84.0(2) . . ?
O4_5 Na6 O5_8 86.8(3) . . ?
O7_8 Na6 O3_5 107.6(3) . 2_776 ?
O6_8 Na6 O3_5 86.07(19) . 2_776 ?
O4_5 Na6 O3_5 163.4(3) . 2_776 ?
O5_8 Na6 O3_5 76.7(2) . 2_776 ?
O7_8 Na6 Na4 152.0(3) . 2_776 ?
O6_8 Na6 Na4 53.29(14) . 2_776 ?
O4_5 Na6 Na4 121.8(2) . 2_776 ?
O5_8 Na6 Na4 50.80(15) . 2_776 ?
O3_5 Na6 Na4 44.39(14) 2_776 2_776 ?
O5_2 Na7 O10_8 106.2(3) . . ?
O5_2 Na7 O9_8 140.7(3) . . ?
O10_8 Na7 O9_8 96.0(3) . . ?
O5_2 Na7 O8_8 125.9(4) . . ?
O10_8 Na7 O8_8 91.5(3) . . ?
O9_8 Na7 O8_8 84.5(2) . . ?
O5_2 Na7 O5_1 62.69(18) . . ?
O10_8 Na7 O5_1 168.7(3) . . ?
O9_8 Na7 O5_1 94.4(2) . . ?
O8_8 Na7 O5_1 93.9(3) . . ?
O5_2 Na7 Si4 31.11(13) . . ?
O10_8 Na7 Si4 135.7(2) . . ?
O9_8 Na7 Si4 124.92(18) . . ?
O8_8 Na7 Si4 107.1(3) . . ?
O5_1 Na7 Si4 32.95(12) . . ?
O5_2 Na7 Na5 167.8(3) . 1_455 ?
O10_8 Na7 Na5 81.91(18) . 1_455 ?
O9_8 Na7 Na5 44.31(16) . 1_455 ?
O8_8 Na7 Na5 43.42(16) . 1_455 ?
O5_1 Na7 Na5 108.8(2) . 1_455 ?
Si4 Na7 Na5 138.3(2) . 1_455 ?
O4_6 Na8 O13_8 121.3(4) . . ?
O4_6 Na8 O14_8 101.0(3) . . ?
O13_8 Na8 O14_8 94.9(4) . . ?
O4_6 Na8 O4_2 88.1(2) . . ?
O13_8 Na8 O4_2 102.8(3) . . ?
O14_8 Na8 O4_2 152.1(4) . . ?
O4_6 Na8 C7_8 117.9(2) . . ?
O13_8 Na8 C7_8 100.2(3) . . ?
O14_8 Na8 C7_8 25.91(18) . . ?
O4_2 Na8 C7_8 127.7(3) . . ?
O4_6 Na8 C6_8 104.8(4) . . ?
O13_8 Na8 C6_8 25.2(3) . . ?
O14_8 Na8 C6_8 118.5(4) . . ?
O4_2 Na8 C6_8 83.6(4) . . ?
C7_8 Na8 C6_8 125.3(3) . . ?
O6_6 Si1 O2_5 89.0(2) . . ?
O6_6 Si1 O2_4 86.81(19) . . ?
O2_5 Si1 O2_4 86.88(19) . . ?
O6_6 Si1 O1_5 96.5(2) . . ?
O2_5 Si1 O1_5 87.39(19) . . ?
O2_4 Si1 O1_5 173.3(2) . . ?
O6_6 Si1 O5_6 87.8(2) . . ?
O2_5 Si1 O5_6 175.5(2) . . ?
O2_4 Si1 O5_6 96.17(19) . . ?
O1_5 Si1 O5_6 89.75(19) . . ?
O6_6 Si1 O1_4 173.0(2) . . ?
O2_5 Si1 O1_4 95.9(2) . . ?
O2_4 Si1 O1_4 88.42(19) . . ?
O1_5 Si1 O1_4 88.75(19) . . ?
O5_6 Si1 O1_4 87.6(2) . . ?
O6_6 Si1 Na3 124.84(16) . . ?
O2_5 Si1 Na3 143.82(16) . . ?
O2_4 Si1 Na3 105.49(14) . . ?
O1_5 Si1 Na3 77.36(14) . . ?
O5_6 Si1 Na3 38.32(14) . . ?
O1_4 Si1 Na3 51.80(14) . . ?
O5_5 Si2 O6_4 96.8(2) . . ?
O5_5 Si2 O6_5 88.4(2) . . ?
O6_4 Si2 O6_5 87.7(2) . . ?
O5_5 Si2 O1_6 88.5(2) . . ?
O6_4 Si2 O1_6 174.0(2) . . ?
O6_5 Si2 O1_6 95.2(2) . . ?
O5_5 Si2 O5_4 86.9(2) . . ?
O6_4 Si2 O5_4 88.1(2) . . ?
O6_5 Si2 O5_4 173.3(2) . . ?
O1_6 Si2 O5_4 89.4(2) . . ?
O5_5 Si2 O2_6 174.6(2) . . ?
O6_4 Si2 O2_6 87.8(2) . . ?
O6_5 Si2 O2_6 89.0(2) . . ?
O1_6 Si2 O2_6 87.1(2) . . ?
O5_4 Si2 O2_6 96.1(2) . . ?
O5_5 Si2 Na5 39.54(15) . 2_775 ?
O6_4 Si2 Na5 103.35(15) . 2_775 ?
O6_5 Si2 Na5 127.18(15) . 2_775 ?
O1_6 Si2 Na5 79.02(14) . 2_775 ?
O5_4 Si2 Na5 49.00(15) . 2_775 ?
O2_6 Si2 Na5 141.92(16) . 2_775 ?
O1_1 Si3 O2_1 87.63(19) . . ?
O1_1 Si3 O2_2 96.2(2) . . ?
O2_1 Si3 O2_2 89.27(19) . . ?
O1_1 Si3 O1_2 89.8(2) . . ?
O2_1 Si3 O1_2 175.6(2) . . ?
O2_2 Si3 O1_2 87.5(2) . . ?
O1_1 Si3 O2_3 173.3(2) . . ?
O2_1 Si3 O2_3 87.07(19) . . ?
O2_2 Si3 O2_3 87.9(2) . . ?
O1_2 Si3 O2_3 95.75(19) . . ?
O1_1 Si3 O1_3 88.7(2) . . ?
O2_1 Si3 O1_3 95.8(2) . . ?
O2_2 Si3 O1_3 173.1(2) . . ?
O1_2 Si3 O1_3 87.7(2) . . ?
O2_3 Si3 O1_3 87.6(2) . . ?
O1_1 Si3 Na4 77.89(14) . 1_545 ?
O2_1 Si3 Na4 140.93(16) . 1_545 ?
O2_2 Si3 Na4 127.93(16) . 1_545 ?
O1_2 Si3 Na4 41.48(15) . 1_545 ?
O2_3 Si3 Na4 103.81(14) . 1_545 ?
O1_3 Si3 Na4 48.46(14) . 1_545 ?
O6_1 Si4 O5_2 95.3(2) . . ?
O6_1 Si4 O5_3 174.2(2) . . ?
O5_2 Si4 O5_3 89.1(2) . . ?
O6_1 Si4 O6_3 87.1(2) . . ?
O5_2 Si4 O6_3 175.4(2) . . ?
O5_3 Si4 O6_3 88.8(2) . . ?
O6_1 Si4 O6_2 88.8(2) . . ?
O5_2 Si4 O6_2 87.9(2) . . ?
O5_3 Si4 O6_2 95.1(2) . . ?
O6_3 Si4 O6_2 88.2(2) . . ?
O6_1 Si4 O5_1 87.9(2) . . ?
O5_2 Si4 O5_1 89.1(2) . . ?
O5_3 Si4 O5_1 88.5(2) . . ?
O6_3 Si4 O5_1 94.9(2) . . ?
O6_2 Si4 O5_1 175.4(3) . . ?
O6_1 Si4 Na7 103.8(2) . . ?
O5_2 Si4 Na7 41.36(18) . . ?
O5_3 Si4 Na7 77.2(2) . . ?
O6_3 Si4 Na7 141.7(2) . . ?
O6_2 Si4 Na7 127.98(17) . . ?
O5_1 Si4 Na7 49.97(17) . . ?
O3_6 Na1 O11_8 108.5(5) . . ?
O3_6 Na1 O3_2 91.7(2) . 1_565 ?
O11_8 Na1 O3_2 118.6(4) . 1_565 ?
O3_6 Na1 O11_8 87.8(4) . 2_675 ?
O11_8 Na1 O11_8 87.7(5) . 2_675 ?
O3_2 Na1 O11_8 152.2(4) 1_565 2_675 ?
O3_6 Na1 O12_8 153.5(5) . . ?
O11_8 Na1 O12_8 95.0(5) . . ?
O3_2 Na1 O12_8 87.4(5) 1_565 . ?
O11_8 Na1 O12_8 81.0(6) 2_675 . ?
O3_6 Na1 Na1 100.4(2) . 2_675 ?
O11_8 Na1 Na1 46.7(3) . 2_675 ?
O3_2 Na1 Na1 163.5(3) 1_565 2_675 ?
O11_8 Na1 Na1 41.0(3) 2_675 2_675 ?
O12_8 Na1 Na1 86.7(4) . 2_675 ?
O1_1 C1_1 C2_1 126.7(6) . . ?
O1_1 C1_1 C6_1 112.7(5) . . ?
C2_1 C1_1 C6_1 120.6(6) . . ?
C1_1 C2_1 C3_1 119.0(6) . . ?
C1_1 C2_1 H2_1 120.5 . . ?
C3_1 C2_1 H2_1 120.5 . . ?
C4_1 C3_1 C2_1 119.8(6) . . ?
C4_1 C3_1 H3X_1 120.1 . . ?
C2_1 C3_1 H3X_1 120.1 . . ?
C5_1 C4_1 C3_1 121.5(6) . . ?
C5_1 C4_1 H4_1 119.2 . . ?
C3_1 C4_1 H4_1 119.2 . . ?
C6_1 C5_1 C4_1 117.8(6) . . ?
C6_1 C5_1 C7_1 123.9(6) . . ?
C4_1 C5_1 C7_1 118.3(6) . . ?
O2_1 C6_1 C5_1 126.1(6) . . ?
O2_1 C6_1 C1_1 112.7(5) . . ?
C5_1 C6_1 C1_1 121.2(6) . . ?
O3_1 C7_1 N1_1 124.0(6) . . ?
O3_1 C7_1 C5_1 121.1(6) . . ?
N1_1 C7_1 C5_1 114.8(6) . . ?
C13_1 C8_1 C9_1 119.5(6) . . ?
C13_1 C8_1 N1_1 122.5(6) . . ?
C9_1 C8_1 N1_1 118.0(5) . . ?
C10_1 C9_1 C8_1 120.0(6) . . ?
C10_1 C9_1 H9_1 120.0 . . ?
C8_1 C9_1 H9_1 120.0 . . ?
C9_1 C10_1 C11_1 121.6(6) . . ?
C9_1 C10_1 H10_1 119.2 . . ?
C11_1 C10_1 H10_1 119.2 . . ?
C10_1 C11_1 C12_1 117.5(6) . . ?
C10_1 C11_1 C14_1 122.1(6) . . ?
C12_1 C11_1 C14_1 120.3(5) . . ?
C13_1 C12_1 C11_1 120.6(6) . . ?
C13_1 C12_1 H12_1 119.7 . . ?
C11_1 C12_1 H12_1 119.7 . . ?
C8_1 C13_1 C12_1 120.8(6) . . ?
C8_1 C13_1 H13_1 119.6 . . ?
C12_1 C13_1 H13_1 119.6 . . ?
C15_1 C14_1 C19_1 116.9(6) . . ?
C15_1 C14_1 C11_1 121.0(6) . . ?
C19_1 C14_1 C11_1 122.0(6) . . ?
C14_1 C15_1 C16_1 121.6(6) . . ?
C14_1 C15_1 H15_1 119.2 . . ?
C16_1 C15_1 H15_1 119.2 . . ?
C17_1 C16_1 C15_1 121.0(6) . . ?
C17_1 C16_1 H16_1 119.5 . . ?
C15_1 C16_1 H16_1 119.5 . . ?
C16_1 C17_1 N2_1 116.6(6) . . ?
C16_1 C17_1 C18_1 118.9(6) . . ?
N2_1 C17_1 C18_1 124.5(6) . . ?
C19_1 C18_1 C17_1 119.1(6) . . ?
C19_1 C18_1 H18_1 120.4 . . ?
C17_1 C18_1 H18_1 120.4 . . ?
C14_1 C19_1 C18_1 122.5(6) . . ?
C14_1 C19_1 H19_1 118.7 . . ?
C18_1 C19_1 H19_1 118.7 . . ?
O4_1 C20_1 N2_1 121.3(6) . . ?
O4_1 C20_1 C21_1 122.1(7) . . ?
N2_1 C20_1 C21_1 116.5(6) . . ?
C26_1 C21_1 C22_1 116.8(7) . . ?
C26_1 C21_1 C20_1 124.3(6) . . ?
C22_1 C21_1 C20_1 118.6(7) . . ?
C23_1 C22_1 C21_1 121.2(7) . . ?
C23_1 C22_1 H22_1 119.4 . . ?
C21_1 C22_1 H22_1 119.4 . . ?
C22_1 C23_1 C24_1 121.2(7) . . ?
C22_1 C23_1 H23_1 119.4 . . ?
C24_1 C23_1 H23_1 119.4 . . ?
C25_1 C24_1 C23_1 118.9(7) . . ?
C25_1 C24_1 H24_1 120.5 . . ?
C23_1 C24_1 H24_1 120.5 . . ?
O5_1 C25_1 C24_1 126.3(6) . . ?
O5_1 C25_1 C26_1 113.7(6) . . ?
C24_1 C25_1 C26_1 120.0(7) . . ?
O6_1 C26_1 C21_1 125.3(6) . . ?
O6_1 C26_1 C25_1 112.9(6) . . ?
C21_1 C26_1 C25_1 121.8(7) . . ?
C7_1 N1_1 C8_1 126.0(5) . . ?
C7_1 N1_1 H1_1 117.0 . . ?
C8_1 N1_1 H1_1 117.0 . . ?
C20_1 N2_1 C17_1 129.8(6) . . ?
C20_1 N2_1 H2A_1 115.1 . . ?
C17_1 N2_1 H2A_1 115.1 . . ?
C1_1 O1_1 Si3 113.6(4) . . ?
C6_1 O2_1 Si3 113.3(4) . . ?
C7_1 O3_1 Na3 151.5(4) . . ?
C20_1 O4_1 Na2 154.2(6) . . ?
C25_1 O5_1 Si4 112.0(4) . . ?
C25_1 O5_1 Na7 114.4(4) . . ?
Si4 O5_1 Na7 97.1(2) . . ?
C26_1 O6_1 Si4 112.2(4) . . ?
O1_2 C1_2 C2_2 125.1(6) . . ?
O1_2 C1_2 C6_2 114.3(6) . . ?
C2_2 C1_2 C6_2 120.5(7) . . ?
C1_2 C2_2 C3_2 117.7(6) . . ?
C1_2 C2_2 H2_2 121.1 . . ?
C3_2 C2_2 H2_2 121.1 . . ?
C4_2 C3_2 C2_2 122.1(7) . . ?
C4_2 C3_2 H3_2 119.0 . . ?
C2_2 C3_2 H3_2 119.0 . . ?
C3_2 C4_2 C5_2 120.9(7) . . ?
C3_2 C4_2 H4_2 119.6 . . ?
C5_2 C4_2 H4_2 119.6 . . ?
C6_2 C5_2 C4_2 116.6(6) . . ?
C6_2 C5_2 C7_2 123.9(6) . . ?
C4_2 C5_2 C7_2 119.4(7) . . ?
O2_2 C6_2 C5_2 125.9(5) . . ?
O2_2 C6_2 C1_2 112.0(6) . . ?
C5_2 C6_2 C1_2 122.1(6) . . ?
O3_2 C7_2 N1_2 123.0(6) . . ?
O3_2 C7_2 C5_2 121.8(6) . . ?
N1_2 C7_2 C5_2 115.2(6) . . ?
C9_2 C8_2 C13_2 119.8(6) . . ?
C9_2 C8_2 N1_2 116.2(6) . . ?
C13_2 C8_2 N1_2 123.9(6) . . ?
C8_2 C9_2 C10_2 120.1(7) . . ?
C8_2 C9_2 H9_2 120.0 . . ?
C10_2 C9_2 H9_2 120.0 . . ?
C11_2 C10_2 C9_2 121.2(7) . . ?
C11_2 C10_2 H10_2 119.4 . . ?
C9_2 C10_2 H10_2 119.4 . . ?
C12_2 C11_2 C10_2 117.6(6) . . ?
C12_2 C11_2 C14_2 121.6(6) . . ?
C10_2 C11_2 C14_2 120.8(6) . . ?
C11_2 C12_2 C13_2 122.8(6) . . ?
C11_2 C12_2 H12_2 118.6 . . ?
C13_2 C12_2 H12_2 118.6 . . ?
C8_2 C13_2 C12_2 118.5(6) . . ?
C8_2 C13_2 H13_2 120.8 . . ?
C12_2 C13_2 H13_2 120.8 . . ?
C19_2 C14_2 C15_2 117.7(6) . . ?
C19_2 C14_2 C11_2 121.8(6) . . ?
C15_2 C14_2 C11_2 120.5(6) . . ?
C16_2 C15_2 C14_2 120.6(6) . . ?
C16_2 C15_2 H15_2 119.7 . . ?
C14_2 C15_2 H15_2 119.7 . . ?
C17_2 C16_2 C15_2 120.4(6) . . ?
C17_2 C16_2 H16_2 119.8 . . ?
C15_2 C16_2 H16_2 119.8 . . ?
C16_2 C17_2 C18_2 120.5(6) . . ?
C16_2 C17_2 N2_2 116.5(6) . . ?
C18_2 C17_2 N2_2 122.8(6) . . ?
C19_2 C18_2 C17_2 118.4(6) . . ?
C19_2 C18_2 H18_2 120.8 . . ?
C17_2 C18_2 H18_2 120.8 . . ?
C14_2 C19_2 C18_2 122.5(6) . . ?
C14_2 C19_2 H19_2 118.8 . . ?
C18_2 C19_2 H19_2 118.8 . . ?
O4_2 C20_2 N2_2 122.9(6) . . ?
O4_2 C20_2 C21_2 122.2(6) . . ?
N2_2 C20_2 C21_2 114.7(6) . . ?
C26_2 C21_2 C22_2 118.4(6) . . ?
C26_2 C21_2 C20_2 122.4(6) . . ?
C22_2 C21_2 C20_2 119.2(6) . . ?
C23_2 C22_2 C21_2 120.6(7) . . ?
C23_2 C22_2 H22_2 119.7 . . ?
C21_2 C22_2 H22_2 119.7 . . ?
C22_2 C23_2 C24_2 121.4(7) . . ?
C22_2 C23_2 H23_2 119.3 . . ?
C24_2 C23_2 H23_2 119.3 . . ?
C25_2 C24_2 C23_2 118.6(7) . . ?
C25_2 C24_2 H24_2 120.7 . . ?
C23_2 C24_2 H24_2 120.7 . . ?
C24_2 C25_2 O5_2 127.3(6) . . ?
C24_2 C25_2 C26_2 120.3(7) . . ?
O5_2 C25_2 C26_2 112.4(6) . . ?
O6_2 C26_2 C21_2 126.7(6) . . ?
O6_2 C26_2 C25_2 112.7(6) . . ?
C21_2 C26_2 C25_2 120.6(6) . . ?
C7_2 N1_2 C8_2 130.5(6) . . ?
C7_2 N1_2 H1_2 114.7 . . ?
C8_2 N1_2 H1_2 114.7 . . ?
C20_2 N2_2 C17_2 128.4(6) . . ?
C20_2 N2_2 H2A_2 115.8 . . ?
C17_2 N2_2 H2A_2 115.8 . . ?
C1_2 O1_2 Si3 112.1(3) . . ?
C1_2 O1_2 Na4 140.1(4) . 1_545 ?
Si3 O1_2 Na4 107.8(2) . 1_545 ?
C6_2 O2_2 Si3 112.7(4) . . ?
C7_2 O3_2 Na1 133.3(4) . 1_545 ?
C20_2 O4_2 Na8 145.9(5) . . ?
C25_2 O5_2 Si4 113.4(4) . . ?
C25_2 O5_2 Na7 137.6(4) . . ?
Si4 O5_2 Na7 107.5(3) . . ?
C26_2 O6_2 Si4 113.4(4) . . ?
C2_3 C1_3 O1_3 124.8(6) . . ?
C2_3 C1_3 C6_3 122.3(6) . . ?
O1_3 C1_3 C6_3 112.9(6) . . ?
C1_3 C2_3 C3_3 118.0(6) . . ?
C1_3 C2_3 H2_3 121.0 . . ?
C3_3 C2_3 H2_3 121.0 . . ?
C4_3 C3_3 C2_3 120.9(7) . . ?
C4_3 C3_3 H3_3 119.6 . . ?
C2_3 C3_3 H3_3 119.6 . . ?
C3_3 C4_3 C5_3 121.4(6) . . ?
C3_3 C4_3 H4_3 119.3 . . ?
C5_3 C4_3 H4_3 119.3 . . ?
C4_3 C5_3 C6_3 117.6(6) . . ?
C4_3 C5_3 C7_3 119.1(6) . . ?
C6_3 C5_3 C7_3 123.2(6) . . ?
O2_3 C6_3 C1_3 114.6(6) . . ?
O2_3 C6_3 C5_3 125.8(6) . . ?
C1_3 C6_3 C5_3 119.5(6) . . ?
O3_3 C7_3 N1_3 120.8(6) . . ?
O3_3 C7_3 C5_3 121.7(6) . . ?
N1_3 C7_3 C5_3 117.3(6) . . ?
C9_3 C8_3 C13_3 119.8(6) . . ?
C9_3 C8_3 N1_3 118.9(6) . . ?
C13_3 C8_3 N1_3 121.0(6) . . ?
C8_3 C9_3 C10_3 120.8(7) . . ?
C8_3 C9_3 H9_3 119.6 . . ?
C10_3 C9_3 H9_3 119.6 . . ?
C9_3 C10_3 C11_3 121.2(7) . . ?
C9_3 C10_3 H10_3 119.4 . . ?
C11_3 C10_3 H10_3 119.4 . . ?
C12_3 C11_3 C10_3 117.2(6) . . ?
C12_3 C11_3 C14_3 121.5(6) . . ?
C10_3 C11_3 C14_3 121.3(6) . . ?
C11_3 C12_3 C13_3 122.7(7) . . ?
C11_3 C12_3 H12_3 118.6 . . ?
C13_3 C12_3 H12_3 118.6 . . ?
C12_3 C13_3 C8_3 118.2(7) . . ?
C12_3 C13_3 H13_3 120.9 . . ?
C8_3 C13_3 H13_3 120.9 . . ?
C19_3 C14_3 C15_3 118.0(6) . . ?
C19_3 C14_3 C11_3 123.0(7) . . ?
C15_3 C14_3 C11_3 119.0(7) . . ?
C16_3 C15_3 C14_3 119.3(7) . . ?
C16_3 C15_3 H15_3 120.4 . . ?
C14_3 C15_3 H15_3 120.4 . . ?
C17_3 C16_3 C15_3 121.9(7) . . ?
C17_3 C16_3 H16_3 119.1 . . ?
C15_3 C16_3 H16_3 119.1 . . ?
C16_3 C17_3 C18_3 118.8(6) . . ?
C16_3 C17_3 N2_3 116.7(6) . . ?
C18_3 C17_3 N2_3 124.5(7) . . ?
C19_3 C18_3 C17_3 118.6(7) . . ?
C19_3 C18_3 H18_3 120.7 . . ?
C17_3 C18_3 H18_3 120.7 . . ?
C14_3 C19_3 C18_3 123.5(7) . . ?
C14_3 C19_3 H19_3 118.3 . . ?
C18_3 C19_3 H19_3 118.3 . . ?
O4_3 C20_3 N2_3 121.2(7) . . ?
O4_3 C20_3 C21_3 121.9(7) . . ?
N2_3 C20_3 C21_3 116.8(7) . . ?
C22_3 C21_3 C26_3 117.7(6) . . ?
C22_3 C21_3 C20_3 118.4(7) . . ?
C26_3 C21_3 C20_3 123.8(7) . . ?
C23_3 C22_3 C21_3 121.5(8) . . ?
C23_3 C22_3 H22_3 119.2 . . ?
C21_3 C22_3 H22_3 119.2 . . ?
C22_3 C23_3 C24_3 121.4(8) . . ?
C22_3 C23_3 H23_3 119.3 . . ?
C24_3 C23_3 H23_3 119.3 . . ?
C25_3 C24_3 C23_3 117.3(7) . . ?
C25_3 C24_3 H24_3 121.4 . . ?
C23_3 C24_3 H24_3 121.4 . . ?
O5_3 C25_3 C24_3 124.9(6) . . ?
O5_3 C25_3 C26_3 112.2(7) . . ?
C24_3 C25_3 C26_3 122.8(7) . . ?
O6_3 C26_3 C21_3 126.0(6) . . ?
O6_3 C26_3 C25_3 114.8(7) . . ?
C21_3 C26_3 C25_3 119.1(7) . . ?
C7_3 N1_3 C8_3 128.6(6) . . ?
C7_3 N1_3 H1_3 115.7 . . ?
C8_3 N1_3 H1_3 115.7 . . ?
C20_3 N2_3 C17_3 130.2(6) . . ?
C20_3 N2_3 H2A_3 114.9 . . ?
C17_3 N2_3 H2A_3 114.9 . . ?
C1_3 O1_3 Si3 111.4(4) . . ?
C1_3 O1_3 Na4 110.6(3) . 1_545 ?
Si3 O1_3 Na4 99.07(19) . 1_545 ?
C6_3 O2_3 Si3 112.9(4) . . ?
C7_3 O3_3 Na4 140.5(4) . 2_666 ?
C25_3 O5_3 Si4 112.3(4) . . ?
C26_3 O6_3 Si4 111.7(4) . . ?
C2_4 C1_4 O1_4 125.7(5) . . ?
C2_4 C1_4 C6_4 121.1(6) . . ?
O1_4 C1_4 C6_4 113.1(5) . . ?
C1_4 C2_4 C3_4 119.5(6) . . ?
C1_4 C2_4 H2_4 120.2 . . ?
C3_4 C2_4 H2_4 120.2 . . ?
C4_4 C3_4 C2_4 119.0(6) . . ?
C4_4 C3_4 H3_4 120.5 . . ?
C2_4 C3_4 H3_4 120.5 . . ?
C5_4 C4_4 C3_4 122.5(6) . . ?
C5_4 C4_4 H4_4 118.7 . . ?
C3_4 C4_4 H4_4 118.7 . . ?
C4_4 C5_4 C6_4 117.5(5) . . ?
C4_4 C5_4 C7_4 119.3(6) . . ?
C6_4 C5_4 C7_4 123.0(6) . . ?
O2_4 C6_4 C1_4 114.7(5) . . ?
O2_4 C6_4 C5_4 125.0(5) . . ?
C1_4 C6_4 C5_4 120.3(6) . . ?
O3_4 C7_4 N1_4 121.2(5) . . ?
O3_4 C7_4 C5_4 120.6(6) . . ?
N1_4 C7_4 C5_4 118.1(5) . . ?
C9_4 C8_4 C13_4 118.8(5) . . ?
C9_4 C8_4 N1_4 119.4(6) . . ?
C13_4 C8_4 N1_4 121.6(6) . . ?
C8_4 C9_4 C10_4 120.6(6) . . ?
C8_4 C9_4 H9_4 119.7 . . ?
C10_4 C9_4 H9_4 119.7 . . ?
C11_4 C10_4 C9_4 120.9(6) . . ?
C11_4 C10_4 H10_4 119.6 . . ?
C9_4 C10_4 H10_4 119.6 . . ?
C12_4 C11_4 C10_4 116.8(6) . . ?
C12_4 C11_4 C14_4 123.4(6) . . ?
C10_4 C11_4 C14_4 119.8(6) . . ?
C11_4 C12_4 C13_4 122.9(6) . . ?
C11_4 C12_4 H12_4 118.6 . . ?
C13_4 C12_4 H12_4 118.6 . . ?
C12_4 C13_4 C8_4 120.0(6) . . ?
C12_4 C13_4 H13_4 120.0 . . ?
C8_4 C13_4 H13_4 120.0 . . ?
C19_4 C14_4 C15_4 117.5(6) . . ?
C19_4 C14_4 C11_4 122.4(6) . . ?
C15_4 C14_4 C11_4 120.1(6) . . ?
C14_4 C15_4 C16_4 120.0(7) . . ?
C14_4 C15_4 H15_4 120.0 . . ?
C16_4 C15_4 H15_4 120.0 . . ?
C17_4 C16_4 C15_4 121.7(6) . . ?
C17_4 C16_4 H16_4 119.2 . . ?
C15_4 C16_4 H16_4 119.2 . . ?
C16_4 C17_4 N2_4 118.0(6) . . ?
C16_4 C17_4 C18_4 118.3(6) . . ?
N2_4 C17_4 C18_4 123.6(6) . . ?
C19_4 C18_4 C17_4 119.1(7) . . ?
C19_4 C18_4 H18_4 120.4 . . ?
C17_4 C18_4 H18_4 120.4 . . ?
C14_4 C19_4 C18_4 123.4(7) . . ?
C14_4 C19_4 H19_4 118.3 . . ?
C18_4 C19_4 H19_4 118.3 . . ?
O4_4 C20_4 N2_4 122.4(6) . . ?
O4_4 C20_4 C21_4 121.2(6) . . ?
N2_4 C20_4 C21_4 116.3(6) . . ?
C26_4 C21_4 C22_4 117.5(6) . . ?
C26_4 C21_4 C20_4 124.2(6) . . ?
C22_4 C21_4 C20_4 118.1(6) . . ?
C23_4 C22_4 C21_4 121.6(7) . . ?
C23_4 C22_4 H22_4 119.2 . . ?
C21_4 C22_4 H22_4 119.2 . . ?
C22_4 C23_4 C24_4 120.2(7) . . ?
C22_4 C23_4 H23_4 119.9 . . ?
C24_4 C23_4 H23_4 119.9 . . ?
C25_4 C24_4 C23_4 118.7(7) . . ?
C25_4 C24_4 H24_4 120.7 . . ?
C23_4 C24_4 H24_4 120.7 . . ?
C24_4 C25_4 O5_4 126.0(6) . . ?
C24_4 C25_4 C26_4 121.4(7) . . ?
O5_4 C25_4 C26_4 112.6(6) . . ?
O6_4 C26_4 C21_4 126.2(6) . . ?
O6_4 C26_4 C25_4 113.3(6) . . ?
C21_4 C26_4 C25_4 120.5(7) . . ?
C7_4 N1_4 C8_4 127.2(5) . . ?
C7_4 N1_4 H1_4 116.4 . . ?
C8_4 N1_4 H1_4 116.4 . . ?
C20_4 N2_4 C17_4 128.5(6) . . ?
C20_4 N2_4 H2A_4 115.7 . . ?
C17_4 N2_4 H2A_4 115.7 . . ?
C1_4 O1_4 Si1 111.6(3) . . ?
C1_4 O1_4 Na3 108.6(3) . . ?
Si1 O1_4 Na3 96.72(18) . . ?
C6_4 O2_4 Si1 112.0(3) . . ?
C7_4 O3_4 Na3 147.9(4) . 2_766 ?
C20_4 O4_4 Na5 147.7(5) . . ?
C25_4 O5_4 Si2 112.0(4) . . ?
C25_4 O5_4 Na5 98.8(3) . 2_775 ?
Si2 O5_4 Na5 100.0(2) . 2_775 ?
C26_4 O6_4 Si2 113.6(4) . . ?
O1_5 C1_5 C2_5 126.6(6) . . ?
O1_5 C1_5 C6_5 112.8(5) . . ?
C2_5 C1_5 C6_5 120.6(6) . . ?
C1_5 C2_5 C3_5 118.1(7) . . ?
C1_5 C2_5 H2_5 121.0 . . ?
C3_5 C2_5 H2_5 121.0 . . ?
C4_5 C3_5 C2_5 121.3(7) . . ?
C4_5 C3_5 H3_5 119.3 . . ?
C2_5 C3_5 H3_5 119.3 . . ?
C3_5 C4_5 C5_5 121.2(7) . . ?
C3_5 C4_5 H4_5 119.4 . . ?
C5_5 C4_5 H4_5 119.4 . . ?
C6_5 C5_5 C4_5 116.7(6) . . ?
C6_5 C5_5 C7_5 123.3(6) . . ?
C4_5 C5_5 C7_5 119.9(6) . . ?
O2_5 C6_5 C5_5 124.6(6) . . ?
O2_5 C6_5 C1_5 113.3(6) . . ?
C5_5 C6_5 C1_5 122.1(6) . . ?
O3_5 C7_5 N1_5 121.8(7) . . ?
O3_5 C7_5 C5_5 122.1(6) . . ?
N1_5 C7_5 C5_5 116.1(6) . . ?
C9_5 C8_5 C13_5 119.9(6) . . ?
C9_5 C8_5 N1_5 119.7(6) . . ?
C13_5 C8_5 N1_5 120.2(6) . . ?
C8_5 C9_5 C10_5 119.9(6) . . ?
C8_5 C9_5 H9_5 120.1 . . ?
C10_5 C9_5 H9_5 120.1 . . ?
C11_5 C10_5 C9_5 121.1(7) . . ?
C11_5 C10_5 H10_5 119.5 . . ?
C9_5 C10_5 H10_5 119.5 . . ?
C10_5 C11_5 C12_5 118.6(6) . . ?
C10_5 C11_5 C14_5 121.8(6) . . ?
C12_5 C11_5 C14_5 119.5(6) . . ?
C13_5 C12_5 C11_5 120.3(6) . . ?
C13_5 C12_5 H12_5 119.9 . . ?
C11_5 C12_5 H12_5 119.9 . . ?
C12_5 C13_5 C8_5 120.3(6) . . ?
C12_5 C13_5 H13_5 119.9 . . ?
C8_5 C13_5 H13_5 119.9 . . ?
C19_5 C14_5 C15_5 116.9(6) . . ?
C19_5 C14_5 C11_5 122.4(6) . . ?
C15_5 C14_5 C11_5 120.7(6) . . ?
C16_5 C15_5 C14_5 120.8(7) . . ?
C16_5 C15_5 H15_5 119.6 . . ?
C14_5 C15_5 H15_5 119.6 . . ?
C17_5 C16_5 C15_5 121.1(6) . . ?
C17_5 C16_5 H16_5 119.5 . . ?
C15_5 C16_5 H16_5 119.5 . . ?
C16_5 C17_5 C18_5 119.4(6) . . ?
C16_5 C17_5 N2_5 115.9(6) . . ?
C18_5 C17_5 N2_5 124.7(6) . . ?
C17_5 C18_5 C19_5 119.2(7) . . ?
C17_5 C18_5 H18_5 120.4 . . ?
C19_5 C18_5 H18_5 120.4 . . ?
C14_5 C19_5 C18_5 122.5(7) . . ?
C14_5 C19_5 H19_5 118.8 . . ?
C18_5 C19_5 H19_5 118.8 . . ?
O4_5 C20_5 N2_5 121.5(6) . . ?
O4_5 C20_5 C21_5 121.4(7) . . ?
N2_5 C20_5 C21_5 117.1(7) . . ?
C26_5 C21_5 C22_5 117.1(6) . . ?
C26_5 C21_5 C20_5 123.5(6) . . ?
C22_5 C21_5 C20_5 118.9(7) . . ?
C23_5 C22_5 C21_5 121.8(7) . . ?
C23_5 C22_5 H22_5 119.1 . . ?
C21_5 C22_5 H22_5 119.1 . . ?
C22_5 C23_5 C24_5 120.3(7) . . ?
C22_5 C23_5 H23_5 119.8 . . ?
C24_5 C23_5 H23_5 119.8 . . ?
C25_5 C24_5 C23_5 118.7(7) . . ?
C25_5 C24_5 H24_5 120.7 . . ?
C23_5 C24_5 H24_5 120.7 . . ?
O5_5 C25_5 C24_5 125.6(6) . . ?
O5_5 C25_5 C26_5 114.0(6) . . ?
C24_5 C25_5 C26_5 120.3(7) . . ?
O6_5 C26_5 C21_5 125.7(5) . . ?
O6_5 C26_5 C25_5 112.8(6) . . ?
C21_5 C26_5 C25_5 121.5(6) . . ?
C7_5 N1_5 C8_5 125.4(6) . . ?
C7_5 N1_5 H1_5 117.3 . . ?
C8_5 N1_5 H1_5 117.3 . . ?
C20_5 N2_5 C17_5 129.8(6) . . ?
C20_5 N2_5 H2A_5 115.1 . . ?
C17_5 N2_5 H2A_5 115.1 . . ?
C1_5 O1_5 Si1 113.1(4) . . ?
C6_5 O2_5 Si1 113.4(4) . . ?
C7_5 O3_5 Na4 167.3(5) . . ?
C7_5 O3_5 Na6 103.8(6) . 2_776 ?
Na4 O3_5 Na6 79.7(2) . 2_776 ?
C20_5 O4_5 Na6 148.4(6) . . ?
C25_5 O5_5 Si2 112.3(4) . . ?
C25_5 O5_5 Na5 135.5(4) . 2_775 ?
Si2 O5_5 Na5 111.7(2) . 2_775 ?
C26_5 O6_5 Si2 112.1(4) . . ?
O1_6 C1_6 C2_6 125.8(6) . . ?
O1_6 C1_6 C6_6 113.0(6) . . ?
C2_6 C1_6 C6_6 121.2(6) . . ?
C1_6 C2_6 C3_6 119.0(6) . . ?
C1_6 C2_6 H2_6 120.5 . . ?
C3_6 C2_6 H2_6 120.5 . . ?
C4_6 C3_6 C2_6 120.0(7) . . ?
C4_6 C3_6 H3_6 120.0 . . ?
C2_6 C3_6 H3_6 120.0 . . ?
C3_6 C4_6 C5_6 121.0(7) . . ?
C3_6 C4_6 H4_6 119.5 . . ?
C5_6 C4_6 H4_6 119.5 . . ?
C6_6 C5_6 C4_6 118.0(6) . . ?
C6_6 C5_6 C7_6 124.1(6) . . ?
C4_6 C5_6 C7_6 117.9(6) . . ?
O2_6 C6_6 C5_6 125.8(6) . . ?
O2_6 C6_6 C1_6 113.6(5) . . ?
C5_6 C6_6 C1_6 120.6(6) . . ?
O3_6 C7_6 N1_6 122.6(6) . . ?
O3_6 C7_6 C5_6 122.6(6) . . ?
N1_6 C7_6 C5_6 114.8(6) . . ?
C9_6 C8_6 C13_6 119.9(6) . . ?
C9_6 C8_6 N1_6 116.9(6) . . ?
C13_6 C8_6 N1_6 123.1(6) . . ?
C8_6 C9_6 C10_6 120.1(6) . . ?
C8_6 C9_6 H9_6 120.0 . . ?
C10_6 C9_6 H9_6 120.0 . . ?
C11_6 C10_6 C9_6 122.1(7) . . ?
C11_6 C10_6 H10_6 119.0 . . ?
C9_6 C10_6 H10_6 119.0 . . ?
C10_6 C11_6 C12_6 116.5(6) . . ?
C10_6 C11_6 C14_6 122.3(6) . . ?
C12_6 C11_6 C14_6 121.2(6) . . ?
C11_6 C12_6 C13_6 122.4(6) . . ?
C11_6 C12_6 H12_6 118.8 . . ?
C13_6 C12_6 H12_6 118.8 . . ?
C8_6 C13_6 C12_6 119.1(6) . . ?
C8_6 C13_6 H13_6 120.5 . . ?
C12_6 C13_6 H13_6 120.5 . . ?
C19_6 C14_6 C15_6 117.1(6) . . ?
C19_6 C14_6 C11_6 121.0(6) . . ?
C15_6 C14_6 C11_6 121.8(7) . . ?
C16_6 C15_6 C14_6 121.6(7) . . ?
C16_6 C15_6 H15_6 119.2 . . ?
C14_6 C15_6 H15_6 119.2 . . ?
C17_6 C16_6 C15_6 120.3(6) . . ?
C17_6 C16_6 H16_6 119.8 . . ?
C15_6 C16_6 H16_6 119.8 . . ?
C18_6 C17_6 C16_6 119.0(6) . . ?
C18_6 C17_6 N2_6 123.8(6) . . ?
C16_6 C17_6 N2_6 117.1(6) . . ?
C17_6 C18_6 C19_6 119.6(7) . . ?
C17_6 C18_6 H18_6 120.2 . . ?
C19_6 C18_6 H18_6 120.2 . . ?
C14_6 C19_6 C18_6 122.2(6) . . ?
C14_6 C19_6 H19_6 118.9 . . ?
C18_6 C19_6 H19_6 118.9 . . ?
O4_6 C20_6 N2_6 123.1(6) . . ?
O4_6 C20_6 C21_6 122.1(7) . . ?
N2_6 C20_6 C21_6 114.8(6) . . ?
C26_6 C21_6 C22_6 118.0(6) . . ?
C26_6 C21_6 C20_6 125.4(6) . . ?
C22_6 C21_6 C20_6 116.4(6) . . ?
C23_6 C22_6 C21_6 120.1(7) . . ?
C23_6 C22_6 H22_6 120.0 . . ?
C21_6 C22_6 H22_6 120.0 . . ?
C22_6 C23_6 C24_6 121.5(7) . . ?
C22_6 C23_6 H23_6 119.3 . . ?
C24_6 C23_6 H23_6 119.3 . . ?
C25_6 C24_6 C23_6 118.3(6) . . ?
C25_6 C24_6 H24_6 120.8 . . ?
C23_6 C24_6 H24_6 120.8 . . ?
O5_6 C25_6 C24_6 125.5(6) . . ?
O5_6 C25_6 C26_6 113.6(6) . . ?
C24_6 C25_6 C26_6 120.9(7) . . ?
O6_6 C26_6 C21_6 125.7(6) . . ?
O6_6 C26_6 C25_6 113.3(6) . . ?
C21_6 C26_6 C25_6 121.0(6) . . ?
C7_6 N1_6 C8_6 127.6(5) . . ?
C7_6 N1_6 H1_6 116.2 . . ?
C8_6 N1_6 H1_6 116.2 . . ?
C20_6 N2_6 C17_6 128.2(6) . . ?
C20_6 N2_6 H2A_6 115.9 . . ?
C17_6 N2_6 H2A_6 115.9 . . ?
C1_6 O1_6 Si2 113.3(4) . . ?
C6_6 O2_6 Si2 112.7(4) . . ?
C7_6 O3_6 Na1 149.5(5) . . ?
C20_6 O4_6 Na8 133.1(5) . . ?
C25_6 O5_6 Si1 111.2(4) . . ?
C25_6 O5_6 Na3 135.8(4) . . ?
Si1 O5_6 Na3 113.0(2) . . ?
C26_6 O6_6 Si1 110.9(4) . . ?
O1_8 C1_8 H1A_8 109.2 . . ?
O1_8 C1_8 H1B_8 110.9 . . ?
H1A_8 C1_8 H1B_8 109.5 . . ?
O1_8 C1_8 H1C_8 108.3 . . ?
H1A_8 C1_8 H1C_8 109.5 . . ?
H1B_8 C1_8 H1C_8 109.5 . . ?
O3_8 C2_8 H2A_8 109.9 . . ?
O3_8 C2_8 H2B_8 109.4 . . ?
H2A_8 C2_8 H2B_8 109.5 . . ?
O3_8 C2_8 H2C_8 109.1 . . ?
H2A_8 C2_8 H2C_8 109.5 . . ?
H2B_8 C2_8 H2C_8 109.5 . . ?
O2_8 C3_8 H3A_8 109.9 . . ?
O2_8 C3_8 H3B_8 109.5 . . ?
H3A_8 C3_8 H3B_8 109.5 . . ?
O2_8 C3_8 H3C_8 109.0 . . ?
H3A_8 C3_8 H3C_8 109.5 . . ?
H3B_8 C3_8 H3C_8 109.5 . . ?
O7_8 C5_8 H5A_8 112.4 . . ?
O7_8 C5_8 H5B_8 110.7 . . ?
H5A_8 C5_8 H5B_8 109.5 . . ?
O7_8 C5_8 H5C_8 105.2 . . ?
H5A_8 C5_8 H5C_8 109.5 . . ?
H5B_8 C5_8 H5C_8 109.5 . . ?
O13_8 C6_8 Na8 41.9(5) . . ?
O13_8 C6_8 H6A_8 110.2 . . ?
Na8 C6_8 H6A_8 73.7 . . ?
O13_8 C6_8 H6B_8 110.6 . . ?
Na8 C6_8 H6B_8 144.5 . . ?
H6A_8 C6_8 H6B_8 109.5 . . ?
O13_8 C6_8 H6C_8 107.6 . . ?
Na8 C6_8 H6C_8 102.0 . . ?
H6A_8 C6_8 H6C_8 109.5 . . ?
H6B_8 C6_8 H6C_8 109.5 . . ?
O14_8 C7_8 Na8 46.2(4) . . ?
O14_8 C7_8 H7A_8 109.6 . . ?
Na8 C7_8 H7A_8 95.4 . . ?
O14_8 C7_8 H7B_8 110.2 . . ?
Na8 C7_8 H7B_8 74.8 . . ?
H7A_8 C7_8 H7B_8 109.5 . . ?
O14_8 C7_8 H7C_8 108.6 . . ?
Na8 C7_8 H7C_8 150.7 . . ?
H7A_8 C7_8 H7C_8 109.5 . . ?
H7B_8 C7_8 H7C_8 109.5 . . ?
O4_8 C8_8 H8A_8 109.0 . . ?
O4_8 C8_8 H8B_8 109.6 . . ?
H8A_8 C8_8 H8B_8 109.5 . . ?
O4_8 C8_8 H8C_8 109.8 . . ?
H8A_8 C8_8 H8C_8 109.5 . . ?
H8B_8 C8_8 H8C_8 109.5 . . ?
O15_8 C9_8 H9A_8 109.4 . . ?
O15_8 C9_8 H9B_8 108.6 . . ?
H9A_8 C9_8 H9B_8 109.5 . . ?
O15_8 C9_8 H9C_8 110.5 . . ?
H9A_8 C9_8 H9C_8 109.5 . . ?
H9B_8 C9_8 H9C_8 109.5 . . ?
O16_8 C10_8 H10C_8 107.8 . . ?
O16_8 C10_8 H10D_8 109.5 . . ?
H10C_8 C10_8 H10D_8 109.5 . . ?
O16_8 C10_8 H10E_8 111.2 . . ?
H10C_8 C10_8 H10E_8 109.5 . . ?
H10D_8 C10_8 H10E_8 109.5 . . ?
O17_8 C11_8 H11A_8 109.3 . . ?
O17_8 C11_8 H11B_8 109.2 . . ?
H11A_8 C11_8 H11B_8 109.5 . . ?
O17_8 C11_8 H11C_8 109.9 . . ?
H11A_8 C11_8 H11C_8 109.5 . . ?
H11B_8 C11_8 H11C_8 109.5 . . ?
O18_8 C13_8 H13A_8 109.0 . . ?
O18_8 C13_8 H13B_8 109.3 . . ?
H13A_8 C13_8 H13B_8 109.5 . . ?
O18_8 C13_8 H13C_8 110.0 . . ?
H13A_8 C13_8 H13C_8 109.5 . . ?
H13B_8 C13_8 H13C_8 109.5 . . ?
C1_8 O1_8 Na2 131.7(6) . . ?
C1_8 O1_8 H1_8 109.5 . . ?
Na2 O1_8 H1_8 118.8 . . ?
C3_8 O2_8 Na2 125.9(5) . . ?
C3_8 O2_8 Na3 113.4(5) . 2_666 ?
Na2 O2_8 Na3 85.24(18) . 2_666 ?
C3_8 O2_8 H2X_8 109.5 . . ?
Na2 O2_8 H2X_8 75.8 . . ?
Na3 O2_8 H2X_8 14.9 2_666 . ?
C2_8 O3_8 Na2 146.3(6) . . ?
C2_8 O3_8 H3_8 109.5 . . ?
Na2 O3_8 H3_8 101.1 . . ?
C8_8 O4_8 Na3 130.2(4) . . ?
C8_8 O4_8 Na2 117.1(4) . 2_666 ?
Na3 O4_8 Na2 87.28(17) . 2_666 ?
C8_8 O4_8 H4X_8 109.5 . . ?
Na3 O4_8 H4X_8 82.0 . . ?
Na2 O4_8 H4X_8 126.4 2_666 . ?
Na6 O5_8 Na4 81.8(2) . 2_776 ?
Na6 O5_8 H5D_8 120.0 . . ?
Na4 O5_8 H5D_8 138.9 2_776 . ?
Na6 O5_8 H5E_8 120.0 . . ?
Na4 O5_8 H5E_8 52.4 2_776 . ?
H5D_8 O5_8 H5E_8 120.0 . . ?
Na6 O6_8 Na4 81.03(16) . 2_776 ?
Na6 O6_8 H6D_8 120.0 . . ?
Na4 O6_8 H6D_8 141.7 2_776 . ?
Na6 O6_8 H6E_8 120.0 . . ?
Na4 O6_8 H6E_8 51.1 2_776 . ?
H6D_8 O6_8 H6E_8 120.0 . . ?
C5_8 O7_8 Na6 138.3(15) . . ?
C5_8 O7_8 H7X_8 109.5 . . ?
Na6 O7_8 H7X_8 110.5 . . ?
Na7 O8_8 Na5 95.6(3) . 1_455 ?
Na7 O8_8 H8D_8 120.0 . . ?
Na5 O8_8 H8D_8 143.6 1_455 . ?
Na7 O8_8 H8E_8 120.0 . . ?
Na5 O8_8 H8E_8 25.5 1_455 . ?
H8D_8 O8_8 H8E_8 120.0 . . ?
C6_8 O13_8 Na8 112.9(7) . . ?
C6_8 O13_8 H13_8 110.8(17) . . ?
Na8 O13_8 H13_8 136(2) . . ?
C7_8 O14_8 Na8 107.9(5) . . ?
C9_8 O15_8 H15_8 109.5 . . ?
C10_8 O16_8 H16_8 109.5 . . ?
C11_8 O17_8 H17_8 109.5 . . ?
C13_8 O18_8 H18_8 109.5 . . ?
Na5 O19_8 H19A_8 110.2 . . ?
Na5 O19_8 H19B_8 110.2 . . ?
H19A_8 O19_8 H19B_8 104.5 . . ?
Na7 O9_8 Na5 94.6(3) . 1_455 ?
Na7 O9_8 H9D_8 120.0 . . ?
Na5 O9_8 H9D_8 141.8 1_455 . ?
Na7 O9_8 H9E_8 120.0 . . ?
Na5 O9_8 H9E_8 29.9 1_455 . ?
H9D_8 O9_8 H9E_8 120.0 . . ?
Na7 O10_8 H10A_8 109.4 . . ?
Na7 O10_8 H10B_8 109.8 . . ?
H10A_8 O10_8 H10B_8 104.2 . . ?
Na1 O11_8 Na1 92.3(5) . 2_675 ?
Na1 O11_8 H11D_8 120.0 . . ?
Na1 O11_8 H11D_8 86.2 2_675 . ?
Na1 O11_8 H11E_8 120.0 . . ?
Na1 O11_8 H11E_8 91.5 2_675 . ?
H11D_8 O11_8 H11E_8 120.0 . . ?
Na1 O12_8 H12D_8 120.0 . . ?
Na1 O12_8 H12E_8 120.0 . . ?
H12D_8 O12_8 H12E_8 120.0 . . ?
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
Na2 O4_1 2.200(6) . ?
Na2 O3_8 2.266(7) . ?
Na2 O2_8 2.353(6) . ?
Na2 O1_8 2.377(7) . ?
Na2 O4_8 2.430(6) 2_666 ?
Na2 Na3 3.348(4) 2_666 ?
Na3 O3_1 2.245(5) . ?
Na3 O3_4 2.303(5) 2_766 ?
Na3 O5_6 2.304(4) . ?
Na3 O4_8 2.422(5) . ?
Na3 O2_8 2.585(5) 2_666 ?
Na3 O1_4 2.707(4) . ?
Na3 Si1 3.421(3) . ?
Na3 H2X_8 1.79(9) 2_666 ?
Na4 O3_5 2.237(6) . ?
Na4 O3_3 2.298(5) 2_666 ?
Na4 O1_2 2.311(5) 1_565 ?
Na4 O5_8 2.463(6) 2_776 ?
Na4 O1_3 2.517(5) 1_565 ?
Na4 O6_8 2.554(5) 2_776 ?
Na4 Na6 3.146(4) 2_776 ?
Na4 Si3 3.321(3) 1_565 ?
Na4 H5E_8 2.028(6) 2_776 ?
Na4 H6E_8 2.091(5) 2_776 ?
Na5 O4_4 2.277(5) . ?
Na5 O5_5 2.343(5) 2_775 ?
Na5 O19_8 2.364(6) . ?
Na5 O8_8 2.489(6) 1_655 ?
Na5 O9_8 2.526(6) 1_655 ?
Na5 O5_4 2.621(5) 2_775 ?
Na5 Si2 3.420(3) 2_775 ?
Na5 Na7 3.604(5) 1_655 ?
Na5 H8E_8 1.682(7) 1_655 ?
Na5 H9E_8 1.767(7) 1_655 ?
Na6 O7_8 2.234(11) . ?
Na6 O6_8 2.279(5) . ?
Na6 O4_5 2.282(7) . ?
Na6 O5_8 2.341(7) . ?
Na6 O3_5 2.649(8) 2_776 ?
Na7 O5_2 2.269(5) . ?
Na7 O10_8 2.313(9) . ?
Na7 O9_8 2.375(7) . ?
Na7 O8_8 2.375(11) . ?
Na7 O5_1 2.526(6) . ?
Na7 Si4 3.274(5) . ?
Na8 O4_6 2.195(7) . ?
Na8 O13_8 2.201(10) . ?
Na8 O14_8 2.275(9) . ?
Na8 O4_2 2.279(6) . ?
Na8 C7_8 2.999(6) . ?
Na8 C6_8 3.036(14) . ?
Si1 O6_6 1.781(4) . ?
Si1 O2_5 1.783(4) . ?
Si1 O2_4 1.784(4) . ?
Si1 O1_5 1.784(4) . ?
Si1 O5_6 1.785(4) . ?
Si1 O1_4 1.799(4) . ?
Si2 O5_5 1.772(4) . ?
Si2 O6_4 1.774(4) . ?
Si2 O6_5 1.781(5) . ?
Si2 O1_6 1.787(4) . ?
Si2 O5_4 1.787(5) . ?
Si2 O2_6 1.795(4) . ?
Si3 O1_1 1.774(4) . ?
Si3 O2_1 1.777(4) . ?
Si3 O2_2 1.779(4) . ?
Si3 O1_2 1.781(4) . ?
Si3 O2_3 1.785(4) . ?
Si3 O1_3 1.806(4) . ?
Si4 O6_1 1.773(5) . ?
Si4 O5_2 1.774(5) . ?
Si4 O5_3 1.776(5) . ?
Si4 O6_3 1.779(5) . ?
Si4 O6_2 1.783(5) . ?
Si4 O5_1 1.794(5) . ?
Na1 O3_6 2.171(7) . ?
Na1 O11_8 2.245(12) . ?
Na1 O3_2 2.331(6) 1_565 ?
Na1 O11_8 2.493(12) 2_675 ?
Na1 O12_8 2.68(3) . ?
Na1 Na1 3.421(8) 2_675 ?
C1_1 O1_1 1.354(7) . ?
C1_1 C2_1 1.360(8) . ?
C1_1 C6_1 1.412(8) . ?
C2_1 C3_1 1.406(9) . ?
C2_1 H2_1 0.9500 . ?
C3_1 C4_1 1.399(9) . ?
C3_1 H3X_1 0.9500 . ?
C4_1 C5_1 1.385(9) . ?
C4_1 H4_1 0.9500 . ?
C5_1 C6_1 1.384(8) . ?
C5_1 C7_1 1.500(9) . ?
C6_1 O2_1 1.357(7) . ?
C7_1 O3_1 1.231(7) . ?
C7_1 N1_1 1.360(8) . ?
C8_1 C13_1 1.375(8) . ?
C8_1 C9_1 1.396(8) . ?
C8_1 N1_1 1.426(7) . ?
C9_1 C10_1 1.368(9) . ?
C9_1 H9_1 0.9500 . ?
C10_1 C11_1 1.399(8) . ?
C10_1 H10_1 0.9500 . ?
C11_1 C12_1 1.408(8) . ?
C11_1 C14_1 1.474(8) . ?
C12_1 C13_1 1.377(8) . ?
C12_1 H12_1 0.9500 . ?
C13_1 H13_1 0.9500 . ?
C14_1 C15_1 1.388(8) . ?
C14_1 C19_1 1.394(9) . ?
C15_1 C16_1 1.397(9) . ?
C15_1 H15_1 0.9500 . ?
C16_1 C17_1 1.375(9) . ?
C16_1 H16_1 0.9500 . ?
C17_1 N2_1 1.402(8) . ?
C17_1 C18_1 1.406(9) . ?
C18_1 C19_1 1.398(9) . ?
C18_1 H18_1 0.9500 . ?
C19_1 H19_1 0.9500 . ?
C20_1 O4_1 1.236(8) . ?
C20_1 N2_1 1.340(8) . ?
C20_1 C21_1 1.478(9) . ?
C21_1 C26_1 1.387(9) . ?
C21_1 C22_1 1.419(10) . ?
C22_1 C23_1 1.373(10) . ?
C22_1 H22_1 0.9500 . ?
C23_1 C24_1 1.393(10) . ?
C23_1 H23_1 0.9500 . ?
C24_1 C25_1 1.379(9) . ?
C24_1 H24_1 0.9500 . ?
C25_1 O5_1 1.339(8) . ?
C25_1 C26_1 1.407(9) . ?
C26_1 O6_1 1.359(8) . ?
N1_1 H1_1 0.8800 . ?
N2_1 H2A_1 0.8800 . ?
C1_2 O1_2 1.345(7) . ?
C1_2 C2_2 1.385(8) . ?
C1_2 C6_2 1.399(8) . ?
C2_2 C3_2 1.393(9) . ?
C2_2 H2_2 0.9500 . ?
C3_2 C4_2 1.376(9) . ?
C3_2 H3_2 0.9500 . ?
C4_2 C5_2 1.413(9) . ?
C4_2 H4_2 0.9500 . ?
C5_2 C6_2 1.391(9) . ?
C5_2 C7_2 1.482(9) . ?
C6_2 O2_2 1.358(7) . ?
C7_2 O3_2 1.241(8) . ?
C7_2 N1_2 1.341(8) . ?
C8_2 C9_2 1.383(9) . ?
C8_2 C13_2 1.383(9) . ?
C8_2 N1_2 1.412(7) . ?
C9_2 C10_2 1.394(9) . ?
C9_2 H9_2 0.9500 . ?
C10_2 C11_2 1.378(9) . ?
C10_2 H10_2 0.9500 . ?
C11_2 C12_2 1.375(9) . ?
C11_2 C14_2 1.487(8) . ?
C12_2 C13_2 1.397(8) . ?
C12_2 H12_2 0.9500 . ?
C13_2 H13_2 0.9500 . ?
C14_2 C19_2 1.382(9) . ?
C14_2 C15_2 1.397(9) . ?
C15_2 C16_2 1.391(9) . ?
C15_2 H15_2 0.9500 . ?
C16_2 C17_2 1.368(9) . ?
C16_2 H16_2 0.9500 . ?
C17_2 C18_2 1.392(9) . ?
C17_2 N2_2 1.431(8) . ?
C18_2 C19_2 1.389(8) . ?
C18_2 H18_2 0.9500 . ?
C19_2 H19_2 0.9500 . ?
C20_2 O4_2 1.246(7) . ?
C20_2 N2_2 1.356(8) . ?
C20_2 C21_2 1.474(9) . ?
C21_2 C26_2 1.371(9) . ?
C21_2 C22_2 1.402(9) . ?
C22_2 C23_2 1.369(9) . ?
C22_2 H22_2 0.9500 . ?
C23_2 C24_2 1.390(10) . ?
C23_2 H23_2 0.9500 . ?
C24_2 C25_2 1.370(9) . ?
C24_2 H24_2 0.9500 . ?
C25_2 O5_2 1.374(8) . ?
C25_2 C26_2 1.419(9) . ?
C26_2 O6_2 1.362(7) . ?
N1_2 H1_2 0.8800 . ?
N2_2 H2A_2 0.8800 . ?
C1_3 C2_3 1.372(9) . ?
C1_3 O1_3 1.383(7) . ?
C1_3 C6_3 1.388(9) . ?
C2_3 C3_3 1.390(9) . ?
C2_3 H2_3 0.9500 . ?
C3_3 C4_3 1.370(9) . ?
C3_3 H3_3 0.9500 . ?
C4_3 C5_3 1.402(9) . ?
C4_3 H4_3 0.9500 . ?
C5_3 C6_3 1.402(9) . ?
C5_3 C7_3 1.463(9) . ?
C6_3 O2_3 1.340(7) . ?
C7_3 O3_3 1.246(7) . ?
C7_3 N1_3 1.358(8) . ?
C8_3 C9_3 1.359(9) . ?
C8_3 C13_3 1.408(9) . ?
C8_3 N1_3 1.426(8) . ?
C9_3 C10_3 1.387(9) . ?
C9_3 H9_3 0.9500 . ?
C10_3 C11_3 1.399(9) . ?
C10_3 H10_3 0.9500 . ?
C11_3 C12_3 1.372(9) . ?
C11_3 C14_3 1.501(9) . ?
C12_3 C13_3 1.400(9) . ?
C12_3 H12_3 0.9500 . ?
C13_3 H13_3 0.9500 . ?
C14_3 C19_3 1.370(10) . ?
C14_3 C15_3 1.403(9) . ?
C15_3 C16_3 1.392(9) . ?
C15_3 H15_3 0.9500 . ?
C16_3 C17_3 1.387(9) . ?
C16_3 H16_3 0.9500 . ?
C17_3 C18_3 1.395(9) . ?
C17_3 N2_3 1.410(8) . ?
C18_3 C19_3 1.386(9) . ?
C18_3 H18_3 0.9500 . ?
C19_3 H19_3 0.9500 . ?
C20_3 O4_3 1.242(8) . ?
C20_3 N2_3 1.354(9) . ?
C20_3 C21_3 1.484(9) . ?
C21_3 C22_3 1.399(10) . ?
C21_3 C26_3 1.404(10) . ?
C22_3 C23_3 1.379(10) . ?
C22_3 H22_3 0.9500 . ?
C23_3 C24_3 1.389(10) . ?
C23_3 H23_3 0.9500 . ?
C24_3 C25_3 1.376(10) . ?
C24_3 H24_3 0.9500 . ?
C25_3 O5_3 1.367(8) . ?
C25_3 C26_3 1.404(9) . ?
C26_3 O6_3 1.346(8) . ?
N1_3 H1_3 0.8800 . ?
N2_3 H2A_3 0.8800 . ?
C1_4 C2_4 1.359(9) . ?
C1_4 O1_4 1.363(7) . ?
C1_4 C6_4 1.401(8) . ?
C2_4 C3_4 1.415(9) . ?
C2_4 H2_4 0.9500 . ?
C3_4 C4_4 1.386(8) . ?
C3_4 H3_4 0.9500 . ?
C4_4 C5_4 1.384(8) . ?
C4_4 H4_4 0.9500 . ?
C5_4 C6_4 1.411(8) . ?
C5_4 C7_4 1.473(8) . ?
C6_4 O2_4 1.341(7) . ?
C7_4 O3_4 1.251(7) . ?
C7_4 N1_4 1.349(7) . ?
C8_4 C9_4 1.364(9) . ?
C8_4 C13_4 1.390(8) . ?
C8_4 N1_4 1.421(7) . ?
C9_4 C10_4 1.403(8) . ?
C9_4 H9_4 0.9500 . ?
C10_4 C11_4 1.399(9) . ?
C10_4 H10_4 0.9500 . ?
C11_4 C12_4 1.367(9) . ?
C11_4 C14_4 1.502(8) . ?
C12_4 C13_4 1.379(8) . ?
C12_4 H12_4 0.9500 . ?
C13_4 H13_4 0.9500 . ?
C14_4 C19_4 1.375(9) . ?
C14_4 C15_4 1.395(9) . ?
C15_4 C16_4 1.399(8) . ?
C15_4 H15_4 0.9500 . ?
C16_4 C17_4 1.377(9) . ?
C16_4 H16_4 0.9500 . ?
C17_4 N2_4 1.403(7) . ?
C17_4 C18_4 1.405(9) . ?
C18_4 C19_4 1.376(9) . ?
C18_4 H18_4 0.9500 . ?
C19_4 H19_4 0.9500 . ?
C20_4 O4_4 1.225(7) . ?
C20_4 N2_4 1.358(8) . ?
C20_4 C21_4 1.484(9) . ?
C21_4 C26_4 1.386(9) . ?
C21_4 C22_4 1.398(9) . ?
C22_4 C23_4 1.390(9) . ?
C22_4 H22_4 0.9500 . ?
C23_4 C24_4 1.399(10) . ?
C23_4 H23_4 0.9500 . ?
C24_4 C25_4 1.361(9) . ?
C24_4 H24_4 0.9500 . ?
C25_4 O5_4 1.377(8) . ?
C25_4 C26_4 1.414(9) . ?
C26_4 O6_4 1.343(8) . ?
N1_4 H1_4 0.8800 . ?
N2_4 H2A_4 0.8800 . ?
C1_5 O1_5 1.357(7) . ?
C1_5 C2_5 1.371(8) . ?
C1_5 C6_5 1.405(8) . ?
C2_5 C3_5 1.404(10) . ?
C2_5 H2_5 0.9500 . ?
C3_5 C4_5 1.382(10) . ?
C3_5 H3_5 0.9500 . ?
C4_5 C5_5 1.405(9) . ?
C4_5 H4_5 0.9500 . ?
C5_5 C6_5 1.386(9) . ?
C5_5 C7_5 1.474(9) . ?
C6_5 O2_5 1.346(7) . ?
C7_5 O3_5 1.247(8) . ?
C7_5 N1_5 1.334(8) . ?
C8_5 C9_5 1.381(9) . ?
C8_5 C13_5 1.390(9) . ?
C8_5 N1_5 1.436(7) . ?
C9_5 C10_5 1.390(9) . ?
C9_5 H9_5 0.9500 . ?
C10_5 C11_5 1.381(9) . ?
C10_5 H10_5 0.9500 . ?
C11_5 C12_5 1.408(9) . ?
C11_5 C14_5 1.474(8) . ?
C12_5 C13_5 1.380(8) . ?
C12_5 H12_5 0.9500 . ?
C13_5 H13_5 0.9500 . ?
C14_5 C19_5 1.386(9) . ?
C14_5 C15_5 1.395(9) . ?
C15_5 C16_5 1.390(8) . ?
C15_5 H15_5 0.9500 . ?
C16_5 C17_5 1.367(9) . ?
C16_5 H16_5 0.9500 . ?
C17_5 C18_5 1.383(9) . ?
C17_5 N2_5 1.420(7) . ?
C18_5 C19_5 1.391(9) . ?
C18_5 H18_5 0.9500 . ?
C19_5 H19_5 0.9500 . ?
C20_5 O4_5 1.254(8) . ?
C20_5 N2_5 1.341(9) . ?
C20_5 C21_5 1.482(9) . ?
C21_5 C26_5 1.380(9) . ?
C21_5 C22_5 1.389(9) . ?
C22_5 C23_5 1.383(9) . ?
C22_5 H22_5 0.9500 . ?
C23_5 C24_5 1.391(10) . ?
C23_5 H23_5 0.9500 . ?
C24_5 C25_5 1.372(9) . ?
C24_5 H24_5 0.9500 . ?
C25_5 O5_5 1.346(8) . ?
C25_5 C26_5 1.402(8) . ?
C26_5 O6_5 1.357(7) . ?
N1_5 H1_5 0.8800 . ?
N2_5 H2A_5 0.8800 . ?
C1_6 O1_6 1.354(7) . ?
C1_6 C2_6 1.368(9) . ?
C1_6 C6_6 1.398(9) . ?
C2_6 C3_6 1.404(9) . ?
C2_6 H2_6 0.9500 . ?
C3_6 C4_6 1.385(9) . ?
C3_6 H3_6 0.9500 . ?
C4_6 C5_6 1.406(9) . ?
C4_6 H4_6 0.9500 . ?
C5_6 C6_6 1.389(8) . ?
C5_6 C7_6 1.480(9) . ?
C6_6 O2_6 1.353(7) . ?
C7_6 O3_6 1.232(7) . ?
C7_6 N1_6 1.360(8) . ?
C8_6 C9_6 1.376(9) . ?
C8_6 C13_6 1.376(8) . ?
C8_6 N1_6 1.426(8) . ?
C9_6 C10_6 1.390(9) . ?
C9_6 H9_6 0.9500 . ?
C10_6 C11_6 1.384(8) . ?
C10_6 H10_6 0.9500 . ?
C11_6 C12_6 1.390(9) . ?
C11_6 C14_6 1.473(9) . ?
C12_6 C13_6 1.402(8) . ?
C12_6 H12_6 0.9500 . ?
C13_6 H13_6 0.9500 . ?
C14_6 C19_6 1.384(9) . ?
C14_6 C15_6 1.390(9) . ?
C15_6 C16_6 1.389(9) . ?
C15_6 H15_6 0.9500 . ?
C16_6 C17_6 1.387(9) . ?
C16_6 H16_6 0.9500 . ?
C17_6 C18_6 1.384(9) . ?
C17_6 N2_6 1.407(7) . ?
C18_6 C19_6 1.396(8) . ?
C18_6 H18_6 0.9500 . ?
C19_6 H19_6 0.9500 . ?
C20_6 O4_6 1.232(7) . ?
C20_6 N2_6 1.355(8) . ?
C20_6 C21_6 1.487(9) . ?
C21_6 C26_6 1.381(9) . ?
C21_6 C22_6 1.427(9) . ?
C22_6 C23_6 1.372(9) . ?
C22_6 H22_6 0.9500 . ?
C23_6 C24_6 1.404(9) . ?
C23_6 H23_6 0.9500 . ?
C24_6 C25_6 1.380(9) . ?
C24_6 H24_6 0.9500 . ?
C25_6 O5_6 1.344(7) . ?
C25_6 C26_6 1.399(8) . ?
C26_6 O6_6 1.349(7) . ?
N1_6 H1_6 0.8800 . ?
N2_6 H2A_6 0.8800 . ?
C1_8 O1_8 1.449(10) . ?
C1_8 H1A_8 0.9800 . ?
C1_8 H1B_8 0.9800 . ?
C1_8 H1C_8 0.9800 . ?
C2_8 O3_8 1.381(10) . ?
C2_8 H2A_8 0.9800 . ?
C2_8 H2B_8 0.9800 . ?
C2_8 H2C_8 0.9800 . ?
C3_8 O2_8 1.474(10) . ?
C3_8 H3A_8 0.9800 . ?
C3_8 H3B_8 0.9800 . ?
C3_8 H3C_8 0.9800 . ?
C5_8 O7_8 1.256(8) . ?
C5_8 H5A_8 0.9800 . ?
C5_8 H5B_8 0.9800 . ?
C5_8 H5C_8 0.9800 . ?
C6_8 O13_8 1.405(13) . ?
C6_8 H6A_8 0.9800 . ?
C6_8 H6B_8 0.9800 . ?
C6_8 H6C_8 0.9800 . ?
C7_8 O14_8 1.377(6) . ?
C7_8 H7A_8 0.9800 . ?
C7_8 H7B_8 0.9800 . ?
C7_8 H7C_8 0.9800 . ?
C8_8 O4_8 1.447(7) . ?
C8_8 H8A_8 0.9800 . ?
C8_8 H8B_8 0.9800 . ?
C8_8 H8C_8 0.9800 . ?
C9_8 O15_8 1.390(9) . ?
C9_8 H9A_8 0.9800 . ?
C9_8 H9B_8 0.9800 . ?
C9_8 H9C_8 0.9800 . ?
C10_8 O16_8 1.453(14) . ?
C10_8 H10C_8 0.9800 . ?
C10_8 H10D_8 0.9800 . ?
C10_8 H10E_8 0.9800 . ?
C11_8 O17_8 1.387(12) . ?
C11_8 H11A_8 0.9800 . ?
C11_8 H11B_8 0.9800 . ?
C11_8 H11C_8 0.9800 . ?
C13_8 O18_8 1.439(16) . ?
C13_8 H13A_8 0.9800 . ?
C13_8 H13B_8 0.9800 . ?
C13_8 H13C_8 0.9800 . ?
O1_8 H1_8 0.8400 . ?
O2_8 H2X_8 0.8400 . ?
O3_8 H3_8 0.8400 . ?
O4_8 H4X_8 0.8400 . ?
O5_8 H5D_8 0.9500 . ?
O5_8 H5E_8 0.9500 . ?
O6_8 H6D_8 0.9500 . ?
O6_8 H6E_8 0.9500 . ?
O7_8 H7X_8 0.8400 . ?
O8_8 H8D_8 0.9500 . ?
O8_8 H8E_8 0.9500 . ?
O13_8 H13_8 0.880(9) . ?
O15_8 H15_8 0.8400 . ?
O16_8 H16_8 0.8400 . ?
O17_8 H17_8 0.8400 . ?
O18_8 H18_8 0.8400 . ?
O19_8 H19A_8 0.8699 . ?
O19_8 H19B_8 0.8701 . ?
O9_8 H9D_8 0.9500 . ?
O9_8 H9E_8 0.9500 . ?
O10_8 H10A_8 0.8762 . ?
O10_8 H10B_8 0.8762 . ?
O11_8 H11D_8 0.9500 . ?
O11_8 H11E_8 0.9500 . ?
O12_8 H12D_8 0.9500 . ?
O12_8 H12E_8 0.9500 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1_1 C1_1 C2_1 C3_1 -179.9(6) . . . . ?
C6_1 C1_1 C2_1 C3_1 -0.5(10) . . . . ?
C1_1 C2_1 C3_1 C4_1 0.0(10) . . . . ?
C2_1 C3_1 C4_1 C5_1 -1.0(11) . . . . ?
C3_1 C4_1 C5_1 C6_1 2.5(10) . . . . ?
C3_1 C4_1 C5_1 C7_1 -174.3(6) . . . . ?
C4_1 C5_1 C6_1 O2_1 178.2(6) . . . . ?
C7_1 C5_1 C6_1 O2_1 -5.2(10) . . . . ?
C4_1 C5_1 C6_1 C1_1 -3.0(10) . . . . ?
C7_1 C5_1 C6_1 C1_1 173.6(6) . . . . ?
O1_1 C1_1 C6_1 O2_1 0.5(8) . . . . ?
C2_1 C1_1 C6_1 O2_1 -179.0(6) . . . . ?
O1_1 C1_1 C6_1 C5_1 -178.5(6) . . . . ?
C2_1 C1_1 C6_1 C5_1 2.0(10) . . . . ?
C6_1 C5_1 C7_1 O3_1 177.1(6) . . . . ?
C4_1 C5_1 C7_1 O3_1 -6.3(10) . . . . ?
C6_1 C5_1 C7_1 N1_1 -4.3(9) . . . . ?
C4_1 C5_1 C7_1 N1_1 172.3(6) . . . . ?
C13_1 C8_1 C9_1 C10_1 1.0(11) . . . . ?
N1_1 C8_1 C9_1 C10_1 -176.2(6) . . . . ?
C8_1 C9_1 C10_1 C11_1 -1.5(11) . . . . ?
C9_1 C10_1 C11_1 C12_1 1.3(11) . . . . ?
C9_1 C10_1 C11_1 C14_1 178.0(7) . . . . ?
C10_1 C11_1 C12_1 C13_1 -0.6(10) . . . . ?
C14_1 C11_1 C12_1 C13_1 -177.4(6) . . . . ?
C9_1 C8_1 C13_1 C12_1 -0.4(10) . . . . ?
N1_1 C8_1 C13_1 C12_1 176.7(6) . . . . ?
C11_1 C12_1 C13_1 C8_1 0.2(10) . . . . ?
C10_1 C11_1 C14_1 C15_1 -143.0(7) . . . . ?
C12_1 C11_1 C14_1 C15_1 33.6(10) . . . . ?
C10_1 C11_1 C14_1 C19_1 34.6(10) . . . . ?
C12_1 C11_1 C14_1 C19_1 -148.8(7) . . . . ?
C19_1 C14_1 C15_1 C16_1 -0.8(10) . . . . ?
C11_1 C14_1 C15_1 C16_1 176.9(6) . . . . ?
C14_1 C15_1 C16_1 C17_1 -1.3(11) . . . . ?
C15_1 C16_1 C17_1 N2_1 -175.2(6) . . . . ?
C15_1 C16_1 C17_1 C18_1 2.8(11) . . . . ?
C16_1 C17_1 C18_1 C19_1 -2.1(10) . . . . ?
N2_1 C17_1 C18_1 C19_1 175.7(7) . . . . ?
C15_1 C14_1 C19_1 C18_1 1.4(11) . . . . ?
C11_1 C14_1 C19_1 C18_1 -176.3(7) . . . . ?
C17_1 C18_1 C19_1 C14_1 0.0(11) . . . . ?
O4_1 C20_1 C21_1 C26_1 -177.4(8) . . . . ?
N2_1 C20_1 C21_1 C26_1 0.6(12) . . . . ?
O4_1 C20_1 C21_1 C22_1 -3.8(13) . . . . ?
N2_1 C20_1 C21_1 C22_1 174.2(8) . . . . ?
C26_1 C21_1 C22_1 C23_1 2.2(14) . . . . ?
C20_1 C21_1 C22_1 C23_1 -171.9(9) . . . . ?
C21_1 C22_1 C23_1 C24_1 0.1(15) . . . . ?
C22_1 C23_1 C24_1 C25_1 -1.7(14) . . . . ?
C23_1 C24_1 C25_1 O5_1 179.9(8) . . . . ?
C23_1 C24_1 C25_1 C26_1 0.8(12) . . . . ?
C22_1 C21_1 C26_1 O6_1 178.1(7) . . . . ?
C20_1 C21_1 C26_1 O6_1 -8.1(13) . . . . ?
C22_1 C21_1 C26_1 C25_1 -3.0(12) . . . . ?
C20_1 C21_1 C26_1 C25_1 170.7(7) . . . . ?
O5_1 C25_1 C26_1 O6_1 1.4(9) . . . . ?
C24_1 C25_1 C26_1 O6_1 -179.4(7) . . . . ?
O5_1 C25_1 C26_1 C21_1 -177.6(7) . . . . ?
C24_1 C25_1 C26_1 C21_1 1.6(12) . . . . ?
O3_1 C7_1 N1_1 C8_1 9.6(10) . . . . ?
C5_1 C7_1 N1_1 C8_1 -168.9(6) . . . . ?
C13_1 C8_1 N1_1 C7_1 23.9(10) . . . . ?
C9_1 C8_1 N1_1 C7_1 -159.0(6) . . . . ?
O4_1 C20_1 N2_1 C17_1 10.4(13) . . . . ?
C21_1 C20_1 N2_1 C17_1 -167.6(7) . . . . ?
C16_1 C17_1 N2_1 C20_1 177.7(7) . . . . ?
C18_1 C17_1 N2_1 C20_1 -0.2(12) . . . . ?
C2_1 C1_1 O1_1 Si3 177.2(6) . . . . ?
C6_1 C1_1 O1_1 Si3 -2.3(7) . . . . ?
O2_1 Si3 O1_1 C1_1 2.6(4) . . . . ?
O2_2 Si3 O1_1 C1_1 91.6(4) . . . . ?
O1_2 Si3 O1_1 C1_1 179.0(4) . . . . ?
O1_3 Si3 O1_1 C1_1 -93.3(4) . . . . ?
Na4 Si3 O1_1 C1_1 -140.9(4) 1_545 . . . ?
C5_1 C6_1 O2_1 Si3 -179.6(5) . . . . ?
C1_1 C6_1 O2_1 Si3 1.6(6) . . . . ?
O1_1 Si3 O2_1 C6_1 -2.3(4) . . . . ?
O2_2 Si3 O2_1 C6_1 -98.6(4) . . . . ?
O2_3 Si3 O2_1 C6_1 173.5(4) . . . . ?
O1_3 Si3 O2_1 C6_1 86.2(4) . . . . ?
Na4 Si3 O2_1 C6_1 65.1(5) 1_545 . . . ?
N1_1 C7_1 O3_1 Na3 44.5(13) . . . . ?
C5_1 C7_1 O3_1 Na3 -137.1(7) . . . . ?
N2_1 C20_1 O4_1 Na2 -139.4(10) . . . . ?
C21_1 C20_1 O4_1 Na2 38.5(17) . . . . ?
C24_1 C25_1 O5_1 Si4 -172.2(7) . . . . ?
C26_1 C25_1 O5_1 Si4 6.9(8) . . . . ?
C24_1 C25_1 O5_1 Na7 78.6(8) . . . . ?
C26_1 C25_1 O5_1 Na7 -102.3(6) . . . . ?
O6_1 Si4 O5_1 C25_1 -9.9(5) . . . . ?
O5_2 Si4 O5_1 C25_1 -105.3(5) . . . . ?
O5_3 Si4 O5_1 C25_1 165.6(5) . . . . ?
O6_3 Si4 O5_1 C25_1 77.0(5) . . . . ?
Na7 Si4 O5_1 C25_1 -119.9(5) . . . . ?
O6_1 Si4 O5_1 Na7 110.0(3) . . . . ?
O5_2 Si4 O5_1 Na7 14.6(3) . . . . ?
O5_3 Si4 O5_1 Na7 -74.5(3) . . . . ?
O6_3 Si4 O5_1 Na7 -163.1(3) . . . . ?
C21_1 C26_1 O6_1 Si4 169.8(6) . . . . ?
C25_1 C26_1 O6_1 Si4 -9.2(7) . . . . ?
O5_2 Si4 O6_1 C26_1 99.6(4) . . . . ?
O6_3 Si4 O6_1 C26_1 -84.3(4) . . . . ?
O6_2 Si4 O6_1 C26_1 -172.6(4) . . . . ?
O5_1 Si4 O6_1 C26_1 10.7(4) . . . . ?
Na7 Si4 O6_1 C26_1 58.5(4) . . . . ?
O1_2 C1_2 C2_2 C3_2 178.2(6) . . . . ?
C6_2 C1_2 C2_2 C3_2 0.3(9) . . . . ?
C1_2 C2_2 C3_2 C4_2 -1.8(10) . . . . ?
C2_2 C3_2 C4_2 C5_2 0.7(10) . . . . ?
C3_2 C4_2 C5_2 C6_2 1.8(9) . . . . ?
C3_2 C4_2 C5_2 C7_2 -173.9(6) . . . . ?
C4_2 C5_2 C6_2 O2_2 179.0(6) . . . . ?
C7_2 C5_2 C6_2 O2_2 -5.5(10) . . . . ?
C4_2 C5_2 C6_2 C1_2 -3.4(9) . . . . ?
C7_2 C5_2 C6_2 C1_2 172.2(6) . . . . ?
O1_2 C1_2 C6_2 O2_2 2.2(7) . . . . ?
C2_2 C1_2 C6_2 O2_2 -179.7(5) . . . . ?
O1_2 C1_2 C6_2 C5_2 -175.7(5) . . . . ?
C2_2 C1_2 C6_2 C5_2 2.4(9) . . . . ?
C6_2 C5_2 C7_2 O3_2 -179.1(6) . . . . ?
C4_2 C5_2 C7_2 O3_2 -3.6(9) . . . . ?
C6_2 C5_2 C7_2 N1_2 0.2(9) . . . . ?
C4_2 C5_2 C7_2 N1_2 175.6(6) . . . . ?
C13_2 C8_2 C9_2 C10_2 2.1(10) . . . . ?
N1_2 C8_2 C9_2 C10_2 -175.4(6) . . . . ?
C8_2 C9_2 C10_2 C11_2 -1.4(11) . . . . ?
C9_2 C10_2 C11_2 C12_2 0.0(10) . . . . ?
C9_2 C10_2 C11_2 C14_2 177.7(6) . . . . ?
C10_2 C11_2 C12_2 C13_2 0.6(10) . . . . ?
C14_2 C11_2 C12_2 C13_2 -177.1(6) . . . . ?
C9_2 C8_2 C13_2 C12_2 -1.5(9) . . . . ?
N1_2 C8_2 C13_2 C12_2 175.8(6) . . . . ?
C11_2 C12_2 C13_2 C8_2 0.2(10) . . . . ?
C12_2 C11_2 C14_2 C19_2 -143.6(7) . . . . ?
C10_2 C11_2 C14_2 C19_2 38.8(9) . . . . ?
C12_2 C11_2 C14_2 C15_2 37.7(9) . . . . ?
C10_2 C11_2 C14_2 C15_2 -139.9(7) . . . . ?
C19_2 C14_2 C15_2 C16_2 0.6(10) . . . . ?
C11_2 C14_2 C15_2 C16_2 179.4(6) . . . . ?
C14_2 C15_2 C16_2 C17_2 -0.1(10) . . . . ?
C15_2 C16_2 C17_2 C18_2 -1.2(10) . . . . ?
C15_2 C16_2 C17_2 N2_2 -176.2(6) . . . . ?
C16_2 C17_2 C18_2 C19_2 1.8(10) . . . . ?
N2_2 C17_2 C18_2 C19_2 176.5(6) . . . . ?
C15_2 C14_2 C19_2 C18_2 0.0(10) . . . . ?
C11_2 C14_2 C19_2 C18_2 -178.7(6) . . . . ?
C17_2 C18_2 C19_2 C14_2 -1.2(10) . . . . ?
O4_2 C20_2 C21_2 C26_2 164.7(7) . . . . ?
N2_2 C20_2 C21_2 C26_2 -18.7(10) . . . . ?
O4_2 C20_2 C21_2 C22_2 -15.7(10) . . . . ?
N2_2 C20_2 C21_2 C22_2 160.9(6) . . . . ?
C26_2 C21_2 C22_2 C23_2 4.3(10) . . . . ?
C20_2 C21_2 C22_2 C23_2 -175.3(6) . . . . ?
C21_2 C22_2 C23_2 C24_2 -2.5(11) . . . . ?
C22_2 C23_2 C24_2 C25_2 -0.1(11) . . . . ?
C23_2 C24_2 C25_2 O5_2 -178.2(6) . . . . ?
C23_2 C24_2 C25_2 C26_2 0.9(10) . . . . ?
C22_2 C21_2 C26_2 O6_2 176.3(6) . . . . ?
C20_2 C21_2 C26_2 O6_2 -4.1(10) . . . . ?
C22_2 C21_2 C26_2 C25_2 -3.6(10) . . . . ?
C20_2 C21_2 C26_2 C25_2 176.1(6) . . . . ?
C24_2 C25_2 C26_2 O6_2 -178.9(6) . . . . ?
O5_2 C25_2 C26_2 O6_2 0.4(8) . . . . ?
C24_2 C25_2 C26_2 C21_2 1.0(10) . . . . ?
O5_2 C25_2 C26_2 C21_2 -179.8(6) . . . . ?
O3_2 C7_2 N1_2 C8_2 10.6(11) . . . . ?
C5_2 C7_2 N1_2 C8_2 -168.6(6) . . . . ?
C9_2 C8_2 N1_2 C7_2 -177.3(6) . . . . ?
C13_2 C8_2 N1_2 C7_2 5.3(10) . . . . ?
O4_2 C20_2 N2_2 C17_2 3.2(11) . . . . ?
C21_2 C20_2 N2_2 C17_2 -173.3(6) . . . . ?
C16_2 C17_2 N2_2 C20_2 -158.8(7) . . . . ?
C18_2 C17_2 N2_2 C20_2 26.3(10) . . . . ?
C2_2 C1_2 O1_2 Si3 -171.5(5) . . . . ?
C6_2 C1_2 O1_2 Si3 6.5(6) . . . . ?
C2_2 C1_2 O1_2 Na4 11.7(10) . . . 1_545 ?
C6_2 C1_2 O1_2 Na4 -170.3(4) . . . 1_545 ?
O1_1 Si3 O1_2 C1_2 -106.0(4) . . . . ?
O2_2 Si3 O1_2 C1_2 -9.8(4) . . . . ?
O2_3 Si3 O1_2 C1_2 77.8(4) . . . . ?
O1_3 Si3 O1_2 C1_2 165.2(4) . . . . ?
Na4 Si3 O1_2 C1_2 -177.8(5) 1_545 . . . ?
O1_1 Si3 O1_2 Na4 71.8(2) . . . 1_545 ?
O2_2 Si3 O1_2 Na4 168.0(2) . . . 1_545 ?
O2_3 Si3 O1_2 Na4 -104.4(2) . . . 1_545 ?
O1_3 Si3 O1_2 Na4 -17.0(2) . . . 1_545 ?
C5_2 C6_2 O2_2 Si3 167.9(5) . . . . ?
C1_2 C6_2 O2_2 Si3 -9.9(6) . . . . ?
O1_1 Si3 O2_2 C6_2 100.7(4) . . . . ?
O2_1 Si3 O2_2 C6_2 -171.8(4) . . . . ?
O1_2 Si3 O2_2 C6_2 11.1(4) . . . . ?
O2_3 Si3 O2_2 C6_2 -84.7(4) . . . . ?
Na4 Si3 O2_2 C6_2 21.2(4) 1_545 . . . ?
N1_2 C7_2 O3_2 Na1 64.0(9) . . . 1_545 ?
C5_2 C7_2 O3_2 Na1 -116.9(6) . . . 1_545 ?
N2_2 C20_2 O4_2 Na8 54.0(12) . . . . ?
C21_2 C20_2 O4_2 Na8 -129.7(7) . . . . ?
C24_2 C25_2 O5_2 Si4 -179.4(6) . . . . ?
C26_2 C25_2 O5_2 Si4 1.4(7) . . . . ?
C24_2 C25_2 O5_2 Na7 16.8(11) . . . . ?
C26_2 C25_2 O5_2 Na7 -162.4(5) . . . . ?
O6_1 Si4 O5_2 C25_2 86.5(4) . . . . ?
O5_3 Si4 O5_2 C25_2 -97.2(4) . . . . ?
O6_2 Si4 O5_2 C25_2 -2.1(4) . . . . ?
O5_1 Si4 O5_2 C25_2 174.3(4) . . . . ?
Na7 Si4 O5_2 C25_2 -168.7(6) . . . . ?
O6_1 Si4 O5_2 Na7 -104.8(3) . . . . ?
O5_3 Si4 O5_2 Na7 71.5(3) . . . . ?
O6_2 Si4 O5_2 Na7 166.6(3) . . . . ?
O5_1 Si4 O5_2 Na7 -17.0(3) . . . . ?
C21_2 C26_2 O6_2 Si4 178.2(5) . . . . ?
C25_2 C26_2 O6_2 Si4 -2.0(7) . . . . ?
O6_1 Si4 O6_2 C26_2 -93.1(4) . . . . ?
O5_2 Si4 O6_2 C26_2 2.3(4) . . . . ?
O5_3 Si4 O6_2 C26_2 91.2(4) . . . . ?
O6_3 Si4 O6_2 C26_2 179.8(4) . . . . ?
Na7 Si4 O6_2 C26_2 13.5(5) . . . . ?
O1_3 C1_3 C2_3 C3_3 179.6(6) . . . . ?
C6_3 C1_3 C2_3 C3_3 -1.6(10) . . . . ?
C1_3 C2_3 C3_3 C4_3 -2.7(10) . . . . ?
C2_3 C3_3 C4_3 C5_3 2.6(10) . . . . ?
C3_3 C4_3 C5_3 C6_3 1.7(9) . . . . ?
C3_3 C4_3 C5_3 C7_3 -176.2(6) . . . . ?
C2_3 C1_3 C6_3 O2_3 -177.0(5) . . . . ?
O1_3 C1_3 C6_3 O2_3 2.1(7) . . . . ?
C2_3 C1_3 C6_3 C5_3 5.8(9) . . . . ?
O1_3 C1_3 C6_3 C5_3 -175.1(5) . . . . ?
C4_3 C5_3 C6_3 O2_3 177.4(5) . . . . ?
C7_3 C5_3 C6_3 O2_3 -4.8(10) . . . . ?
C4_3 C5_3 C6_3 C1_3 -5.7(9) . . . . ?
C7_3 C5_3 C6_3 C1_3 172.0(6) . . . . ?
C4_3 C5_3 C7_3 O3_3 -6.6(9) . . . . ?
C6_3 C5_3 C7_3 O3_3 175.7(6) . . . . ?
C4_3 C5_3 C7_3 N1_3 169.3(6) . . . . ?
C6_3 C5_3 C7_3 N1_3 -8.4(9) . . . . ?
C13_3 C8_3 C9_3 C10_3 -0.3(11) . . . . ?
N1_3 C8_3 C9_3 C10_3 -174.6(6) . . . . ?
C8_3 C9_3 C10_3 C11_3 0.9(11) . . . . ?
C9_3 C10_3 C11_3 C12_3 -1.4(10) . . . . ?
C9_3 C10_3 C11_3 C14_3 177.1(7) . . . . ?
C10_3 C11_3 C12_3 C13_3 1.4(10) . . . . ?
C14_3 C11_3 C12_3 C13_3 -177.1(6) . . . . ?
C11_3 C12_3 C13_3 C8_3 -0.8(10) . . . . ?
C9_3 C8_3 C13_3 C12_3 0.3(9) . . . . ?
N1_3 C8_3 C13_3 C12_3 174.4(6) . . . . ?
C12_3 C11_3 C14_3 C19_3 -137.8(7) . . . . ?
C10_3 C11_3 C14_3 C19_3 43.8(10) . . . . ?
C12_3 C11_3 C14_3 C15_3 43.4(9) . . . . ?
C10_3 C11_3 C14_3 C15_3 -135.0(7) . . . . ?
C19_3 C14_3 C15_3 C16_3 -1.4(10) . . . . ?
C11_3 C14_3 C15_3 C16_3 177.4(6) . . . . ?
C14_3 C15_3 C16_3 C17_3 0.3(10) . . . . ?
C15_3 C16_3 C17_3 C18_3 1.2(10) . . . . ?
C15_3 C16_3 C17_3 N2_3 -175.6(6) . . . . ?
C16_3 C17_3 C18_3 C19_3 -1.6(10) . . . . ?
N2_3 C17_3 C18_3 C19_3 175.0(6) . . . . ?
C15_3 C14_3 C19_3 C18_3 1.0(10) . . . . ?
C11_3 C14_3 C19_3 C18_3 -177.8(6) . . . . ?
C17_3 C18_3 C19_3 C14_3 0.5(11) . . . . ?
O4_3 C20_3 C21_3 C22_3 -6.8(11) . . . . ?
N2_3 C20_3 C21_3 C22_3 169.1(7) . . . . ?
O4_3 C20_3 C21_3 C26_3 177.2(7) . . . . ?
N2_3 C20_3 C21_3 C26_3 -6.9(10) . . . . ?
C26_3 C21_3 C22_3 C23_3 2.2(11) . . . . ?
C20_3 C21_3 C22_3 C23_3 -174.0(7) . . . . ?
C21_3 C22_3 C23_3 C24_3 0.7(13) . . . . ?
C22_3 C23_3 C24_3 C25_3 -1.9(12) . . . . ?
C23_3 C24_3 C25_3 O5_3 178.2(7) . . . . ?
C23_3 C24_3 C25_3 C26_3 0.4(11) . . . . ?
C22_3 C21_3 C26_3 O6_3 178.5(7) . . . . ?
C20_3 C21_3 C26_3 O6_3 -5.5(11) . . . . ?
C22_3 C21_3 C26_3 C25_3 -3.7(10) . . . . ?
C20_3 C21_3 C26_3 C25_3 172.4(6) . . . . ?
O5_3 C25_3 C26_3 O6_3 2.5(9) . . . . ?
C24_3 C25_3 C26_3 O6_3 -179.4(6) . . . . ?
O5_3 C25_3 C26_3 C21_3 -175.6(6) . . . . ?
C24_3 C25_3 C26_3 C21_3 2.5(11) . . . . ?
O3_3 C7_3 N1_3 C8_3 8.8(10) . . . . ?
C5_3 C7_3 N1_3 C8_3 -167.1(6) . . . . ?
C9_3 C8_3 N1_3 C7_3 -162.3(7) . . . . ?
C13_3 C8_3 N1_3 C7_3 23.5(10) . . . . ?
O4_3 C20_3 N2_3 C17_3 10.8(12) . . . . ?
C21_3 C20_3 N2_3 C17_3 -165.1(6) . . . . ?
C16_3 C17_3 N2_3 C20_3 177.9(7) . . . . ?
C18_3 C17_3 N2_3 C20_3 1.3(11) . . . . ?
C2_3 C1_3 O1_3 Si3 -177.8(5) . . . . ?
C6_3 C1_3 O1_3 Si3 3.3(6) . . . . ?
C2_3 C1_3 O1_3 Na4 73.1(7) . . . 1_545 ?
C6_3 C1_3 O1_3 Na4 -105.9(5) . . . 1_545 ?
O1_1 Si3 O1_3 C1_3 168.7(4) . . . . ?
O2_1 Si3 O1_3 C1_3 81.3(4) . . . . ?
O1_2 Si3 O1_3 C1_3 -101.4(4) . . . . ?
O2_3 Si3 O1_3 C1_3 -5.6(4) . . . . ?
Na4 Si3 O1_3 C1_3 -116.4(4) 1_545 . . . ?
O1_1 Si3 O1_3 Na4 -74.87(19) . . . 1_545 ?
O2_1 Si3 O1_3 Na4 -162.36(18) . . . 1_545 ?
O1_2 Si3 O1_3 Na4 14.97(18) . . . 1_545 ?
O2_3 Si3 O1_3 Na4 110.83(18) . . . 1_545 ?
C1_3 C6_3 O2_3 Si3 -6.5(6) . . . . ?
C5_3 C6_3 O2_3 Si3 170.5(5) . . . . ?
O2_1 Si3 O2_3 C6_3 -89.1(4) . . . . ?
O2_2 Si3 O2_3 C6_3 -178.5(4) . . . . ?
O1_2 Si3 O2_3 C6_3 94.2(4) . . . . ?
O1_3 Si3 O2_3 C6_3 6.8(4) . . . . ?
Na4 Si3 O2_3 C6_3 52.9(4) 1_545 . . . ?
N1_3 C7_3 O3_3 Na4 130.9(6) . . . 2_666 ?
C5_3 C7_3 O3_3 Na4 -53.4(10) . . . 2_666 ?
C24_3 C25_3 O5_3 Si4 178.0(6) . . . . ?
C26_3 C25_3 O5_3 Si4 -4.0(7) . . . . ?
O5_2 Si4 O5_3 C25_3 179.4(4) . . . . ?
O6_3 Si4 O5_3 C25_3 3.4(5) . . . . ?
O6_2 Si4 O5_3 C25_3 91.5(4) . . . . ?
O5_1 Si4 O5_3 C25_3 -91.5(5) . . . . ?
Na7 Si4 O5_3 C25_3 -140.7(4) . . . . ?
C21_3 C26_3 O6_3 Si4 178.1(6) . . . . ?
C25_3 C26_3 O6_3 Si4 0.2(7) . . . . ?
O6_1 Si4 O6_3 C26_3 174.0(4) . . . . ?
O5_3 Si4 O6_3 C26_3 -2.0(4) . . . . ?
O6_2 Si4 O6_3 C26_3 -97.1(4) . . . . ?
O5_1 Si4 O6_3 C26_3 86.4(4) . . . . ?
Na7 Si4 O6_3 C26_3 65.3(5) . . . . ?
O1_4 C1_4 C2_4 C3_4 -178.9(6) . . . . ?
C6_4 C1_4 C2_4 C3_4 -0.1(10) . . . . ?
C1_4 C2_4 C3_4 C4_4 1.8(10) . . . . ?
C2_4 C3_4 C4_4 C5_4 -0.6(10) . . . . ?
C3_4 C4_4 C5_4 C6_4 -2.2(9) . . . . ?
C3_4 C4_4 C5_4 C7_4 173.3(6) . . . . ?
C2_4 C1_4 C6_4 O2_4 177.8(6) . . . . ?
O1_4 C1_4 C6_4 O2_4 -3.3(7) . . . . ?
C2_4 C1_4 C6_4 C5_4 -2.8(9) . . . . ?
O1_4 C1_4 C6_4 C5_4 176.1(5) . . . . ?
C4_4 C5_4 C6_4 O2_4 -176.8(6) . . . . ?
C7_4 C5_4 C6_4 O2_4 7.9(9) . . . . ?
C4_4 C5_4 C6_4 C1_4 3.9(8) . . . . ?
C7_4 C5_4 C6_4 C1_4 -171.5(6) . . . . ?
C4_4 C5_4 C7_4 O3_4 12.6(9) . . . . ?
C6_4 C5_4 C7_4 O3_4 -172.2(6) . . . . ?
C4_4 C5_4 C7_4 N1_4 -164.6(6) . . . . ?
C6_4 C5_4 C7_4 N1_4 10.7(9) . . . . ?
C13_4 C8_4 C9_4 C10_4 0.6(10) . . . . ?
N1_4 C8_4 C9_4 C10_4 176.0(6) . . . . ?
C8_4 C9_4 C10_4 C11_4 -0.3(10) . . . . ?
C9_4 C10_4 C11_4 C12_4 0.7(10) . . . . ?
C9_4 C10_4 C11_4 C14_4 -177.5(6) . . . . ?
C10_4 C11_4 C12_4 C13_4 -1.3(10) . . . . ?
C14_4 C11_4 C12_4 C13_4 176.8(6) . . . . ?
C11_4 C12_4 C13_4 C8_4 1.6(10) . . . . ?
C9_4 C8_4 C13_4 C12_4 -1.1(10) . . . . ?
N1_4 C8_4 C13_4 C12_4 -176.5(6) . . . . ?
C12_4 C11_4 C14_4 C19_4 140.4(7) . . . . ?
C10_4 C11_4 C14_4 C19_4 -41.5(9) . . . . ?
C12_4 C11_4 C14_4 C15_4 -41.2(9) . . . . ?
C10_4 C11_4 C14_4 C15_4 136.9(7) . . . . ?
C19_4 C14_4 C15_4 C16_4 -0.1(10) . . . . ?
C11_4 C14_4 C15_4 C16_4 -178.5(6) . . . . ?
C14_4 C15_4 C16_4 C17_4 1.4(10) . . . . ?
C15_4 C16_4 C17_4 N2_4 175.8(6) . . . . ?
C15_4 C16_4 C17_4 C18_4 -2.1(10) . . . . ?
C16_4 C17_4 C18_4 C19_4 1.6(10) . . . . ?
N2_4 C17_4 C18_4 C19_4 -176.1(6) . . . . ?
C15_4 C14_4 C19_4 C18_4 -0.4(10) . . . . ?
C11_4 C14_4 C19_4 C18_4 178.0(6) . . . . ?
C17_4 C18_4 C19_4 C14_4 -0.4(11) . . . . ?
O4_4 C20_4 C21_4 C26_4 -174.8(7) . . . . ?
N2_4 C20_4 C21_4 C26_4 7.2(10) . . . . ?
O4_4 C20_4 C21_4 C22_4 9.2(10) . . . . ?
N2_4 C20_4 C21_4 C22_4 -168.8(6) . . . . ?
C26_4 C21_4 C22_4 C23_4 -1.5(11) . . . . ?
C20_4 C21_4 C22_4 C23_4 174.7(7) . . . . ?
C21_4 C22_4 C23_4 C24_4 -1.2(12) . . . . ?
C22_4 C23_4 C24_4 C25_4 1.5(12) . . . . ?
C23_4 C24_4 C25_4 O5_4 -179.3(7) . . . . ?
C23_4 C24_4 C25_4 C26_4 0.9(11) . . . . ?
C22_4 C21_4 C26_4 O6_4 -177.2(6) . . . . ?
C20_4 C21_4 C26_4 O6_4 6.8(11) . . . . ?
C22_4 C21_4 C26_4 C25_4 3.9(10) . . . . ?
C20_4 C21_4 C26_4 C25_4 -172.1(6) . . . . ?
C24_4 C25_4 C26_4 O6_4 177.3(6) . . . . ?
O5_4 C25_4 C26_4 O6_4 -2.5(8) . . . . ?
C24_4 C25_4 C26_4 C21_4 -3.7(10) . . . . ?
O5_4 C25_4 C26_4 C21_4 176.5(6) . . . . ?
O3_4 C7_4 N1_4 C8_4 -11.5(10) . . . . ?
C5_4 C7_4 N1_4 C8_4 165.7(6) . . . . ?
C9_4 C8_4 N1_4 C7_4 153.8(6) . . . . ?
C13_4 C8_4 N1_4 C7_4 -30.8(10) . . . . ?
O4_4 C20_4 N2_4 C17_4 -11.0(11) . . . . ?
C21_4 C20_4 N2_4 C17_4 166.9(6) . . . . ?
C16_4 C17_4 N2_4 C20_4 166.0(6) . . . . ?
C18_4 C17_4 N2_4 C20_4 -16.2(11) . . . . ?
C2_4 C1_4 O1_4 Si1 179.1(5) . . . . ?
C6_4 C1_4 O1_4 Si1 0.3(6) . . . . ?
C2_4 C1_4 O1_4 Na3 -75.4(7) . . . . ?
C6_4 C1_4 O1_4 Na3 105.7(5) . . . . ?
O2_5 Si1 O1_4 C1_4 -84.8(4) . . . . ?
O2_4 Si1 O1_4 C1_4 1.9(4) . . . . ?
O1_5 Si1 O1_4 C1_4 -172.1(4) . . . . ?
O5_6 Si1 O1_4 C1_4 98.1(4) . . . . ?
Na3 Si1 O1_4 C1_4 113.1(4) . . . . ?
O2_5 Si1 O1_4 Na3 162.09(16) . . . . ?
O2_4 Si1 O1_4 Na3 -111.21(17) . . . . ?
O1_5 Si1 O1_4 Na3 74.84(18) . . . . ?
O5_6 Si1 O1_4 Na3 -14.96(17) . . . . ?
C1_4 C6_4 O2_4 Si1 4.7(6) . . . . ?
C5_4 C6_4 O2_4 Si1 -174.7(5) . . . . ?
O6_6 Si1 O2_4 C6_4 -178.5(4) . . . . ?
O2_5 Si1 O2_4 C6_4 92.3(4) . . . . ?
O5_6 Si1 O2_4 C6_4 -91.1(4) . . . . ?
O1_4 Si1 O2_4 C6_4 -3.7(4) . . . . ?
Na3 Si1 O2_4 C6_4 -53.2(4) . . . . ?
N1_4 C7_4 O3_4 Na3 -152.3(6) . . . 2_766 ?
C5_4 C7_4 O3_4 Na3 30.6(12) . . . 2_766 ?
N2_4 C20_4 O4_4 Na5 -115.5(8) . . . . ?
C21_4 C20_4 O4_4 Na5 66.7(12) . . . . ?
C24_4 C25_4 O5_4 Si2 -174.0(6) . . . . ?
C26_4 C25_4 O5_4 Si2 5.8(6) . . . . ?
C24_4 C25_4 O5_4 Na5 -69.4(7) . . . 2_775 ?
C26_4 C25_4 O5_4 Na5 110.4(5) . . . 2_775 ?
O5_5 Si2 O5_4 C25_4 91.2(4) . . . . ?
O6_4 Si2 O5_4 C25_4 -5.7(4) . . . . ?
O1_6 Si2 O5_4 C25_4 179.8(4) . . . . ?
O2_6 Si2 O5_4 C25_4 -93.2(4) . . . . ?
Na5 Si2 O5_4 C25_4 103.8(4) 2_775 . . . ?
O5_5 Si2 O5_4 Na5 -12.6(2) . . . 2_775 ?
O6_4 Si2 O5_4 Na5 -109.52(19) . . . 2_775 ?
O1_6 Si2 O5_4 Na5 75.91(19) . . . 2_775 ?
O2_6 Si2 O5_4 Na5 162.91(19) . . . 2_775 ?
C21_4 C26_4 O6_4 Si2 179.1(5) . . . . ?
C25_4 C26_4 O6_4 Si2 -2.0(6) . . . . ?
O5_5 Si2 O6_4 C26_4 -82.3(4) . . . . ?
O6_5 Si2 O6_4 C26_4 -170.4(4) . . . . ?
O5_4 Si2 O6_4 C26_4 4.3(4) . . . . ?
O2_6 Si2 O6_4 C26_4 100.5(4) . . . . ?
Na5 Si2 O6_4 C26_4 -42.7(4) 2_775 . . . ?
O1_5 C1_5 C2_5 C3_5 178.8(7) . . . . ?
C6_5 C1_5 C2_5 C3_5 -0.9(11) . . . . ?
C1_5 C2_5 C3_5 C4_5 0.8(12) . . . . ?
C2_5 C3_5 C4_5 C5_5 0.9(13) . . . . ?
C3_5 C4_5 C5_5 C6_5 -2.4(12) . . . . ?
C3_5 C4_5 C5_5 C7_5 174.7(8) . . . . ?
C4_5 C5_5 C6_5 O2_5 -178.3(7) . . . . ?
C7_5 C5_5 C6_5 O2_5 4.7(12) . . . . ?
C4_5 C5_5 C6_5 C1_5 2.4(11) . . . . ?
C7_5 C5_5 C6_5 C1_5 -174.6(7) . . . . ?
O1_5 C1_5 C6_5 O2_5 0.1(8) . . . . ?
C2_5 C1_5 C6_5 O2_5 179.8(6) . . . . ?
O1_5 C1_5 C6_5 C5_5 179.5(6) . . . . ?
C2_5 C1_5 C6_5 C5_5 -0.8(11) . . . . ?
C6_5 C5_5 C7_5 O3_5 -164.9(8) . . . . ?
C4_5 C5_5 C7_5 O3_5 18.2(13) . . . . ?
C6_5 C5_5 C7_5 N1_5 14.0(12) . . . . ?
C4_5 C5_5 C7_5 N1_5 -162.9(8) . . . . ?
C13_5 C8_5 C9_5 C10_5 1.6(12) . . . . ?
N1_5 C8_5 C9_5 C10_5 177.2(7) . . . . ?
C8_5 C9_5 C10_5 C11_5 -1.8(13) . . . . ?
C9_5 C10_5 C11_5 C12_5 1.5(12) . . . . ?
C9_5 C10_5 C11_5 C14_5 -177.6(7) . . . . ?
C10_5 C11_5 C12_5 C13_5 -1.1(11) . . . . ?
C14_5 C11_5 C12_5 C13_5 178.1(7) . . . . ?
C11_5 C12_5 C13_5 C8_5 0.9(11) . . . . ?
C9_5 C8_5 C13_5 C12_5 -1.2(11) . . . . ?
N1_5 C8_5 C13_5 C12_5 -176.8(6) . . . . ?
C10_5 C11_5 C14_5 C19_5 -36.9(11) . . . . ?
C12_5 C11_5 C14_5 C19_5 143.9(7) . . . . ?
C10_5 C11_5 C14_5 C15_5 144.0(8) . . . . ?
C12_5 C11_5 C14_5 C15_5 -35.2(10) . . . . ?
C19_5 C14_5 C15_5 C16_5 1.2(10) . . . . ?
C11_5 C14_5 C15_5 C16_5 -179.6(6) . . . . ?
C14_5 C15_5 C16_5 C17_5 0.4(11) . . . . ?
C15_5 C16_5 C17_5 C18_5 -2.3(11) . . . . ?
C15_5 C16_5 C17_5 N2_5 177.3(6) . . . . ?
C16_5 C17_5 C18_5 C19_5 2.5(11) . . . . ?
N2_5 C17_5 C18_5 C19_5 -177.0(7) . . . . ?
C15_5 C14_5 C19_5 C18_5 -0.9(11) . . . . ?
C11_5 C14_5 C19_5 C18_5 180.0(7) . . . . ?
C17_5 C18_5 C19_5 C14_5 -1.0(12) . . . . ?
O4_5 C20_5 C21_5 C26_5 177.6(8) . . . . ?
N2_5 C20_5 C21_5 C26_5 -1.9(12) . . . . ?
O4_5 C20_5 C21_5 C22_5 5.6(13) . . . . ?
N2_5 C20_5 C21_5 C22_5 -173.9(8) . . . . ?
C26_5 C21_5 C22_5 C23_5 -0.5(14) . . . . ?
C20_5 C21_5 C22_5 C23_5 172.0(9) . . . . ?
C21_5 C22_5 C23_5 C24_5 -2.5(15) . . . . ?
C22_5 C23_5 C24_5 C25_5 1.9(14) . . . . ?
C23_5 C24_5 C25_5 O5_5 -178.8(8) . . . . ?
C23_5 C24_5 C25_5 C26_5 1.5(12) . . . . ?
C22_5 C21_5 C26_5 O6_5 -176.5(7) . . . . ?
C20_5 C21_5 C26_5 O6_5 11.4(12) . . . . ?
C22_5 C21_5 C26_5 C25_5 4.0(12) . . . . ?
C20_5 C21_5 C26_5 C25_5 -168.1(7) . . . . ?
O5_5 C25_5 C26_5 O6_5 -3.9(9) . . . . ?
C24_5 C25_5 C26_5 O6_5 175.8(7) . . . . ?
O5_5 C25_5 C26_5 C21_5 175.7(6) . . . . ?
C24_5 C25_5 C26_5 C21_5 -4.6(11) . . . . ?
O3_5 C7_5 N1_5 C8_5 -10.2(13) . . . . ?
C5_5 C7_5 N1_5 C8_5 170.9(7) . . . . ?
C9_5 C8_5 N1_5 C7_5 141.1(8) . . . . ?
C13_5 C8_5 N1_5 C7_5 -43.4(11) . . . . ?
O4_5 C20_5 N2_5 C17_5 -10.0(14) . . . . ?
C21_5 C20_5 N2_5 C17_5 169.5(7) . . . . ?
C16_5 C17_5 N2_5 C20_5 178.5(8) . . . . ?
C18_5 C17_5 N2_5 C20_5 -2.0(13) . . . . ?
C2_5 C1_5 O1_5 Si1 -179.0(6) . . . . ?
C6_5 C1_5 O1_5 Si1 0.7(7) . . . . ?
O6_6 Si1 O1_5 C1_5 -89.7(4) . . . . ?
O2_5 Si1 O1_5 C1_5 -1.0(4) . . . . ?
O5_6 Si1 O1_5 C1_5 -177.4(4) . . . . ?
O1_4 Si1 O1_5 C1_5 95.0(4) . . . . ?
Na3 Si1 O1_5 C1_5 146.0(4) . . . . ?
C5_5 C6_5 O2_5 Si1 179.7(6) . . . . ?
C1_5 C6_5 O2_5 Si1 -0.9(7) . . . . ?
O6_6 Si1 O2_5 C6_5 97.6(4) . . . . ?
O2_4 Si1 O2_5 C6_5 -175.5(4) . . . . ?
O1_5 Si1 O2_5 C6_5 1.0(4) . . . . ?
O1_4 Si1 O2_5 C6_5 -87.4(4) . . . . ?
Na3 Si1 O2_5 C6_5 -63.3(5) . . . . ?
N1_5 C7_5 O3_5 Na4 42(3) . . . . ?
C5_5 C7_5 O3_5 Na4 -139(2) . . . . ?
N1_5 C7_5 O3_5 Na6 -62.5(8) . . . 2_776 ?
C5_5 C7_5 O3_5 Na6 116.4(7) . . . 2_776 ?
N2_5 C20_5 O4_5 Na6 -138.8(8) . . . . ?
C21_5 C20_5 O4_5 Na6 41.7(16) . . . . ?
C24_5 C25_5 O5_5 Si2 179.7(6) . . . . ?
C26_5 C25_5 O5_5 Si2 -0.6(7) . . . . ?
C24_5 C25_5 O5_5 Na5 -9.3(11) . . . 2_775 ?
C26_5 C25_5 O5_5 Na5 170.4(4) . . . 2_775 ?
O6_4 Si2 O5_5 C25_5 -84.0(4) . . . . ?
O6_5 Si2 O5_5 C25_5 3.5(4) . . . . ?
O1_6 Si2 O5_5 C25_5 98.7(4) . . . . ?
O5_4 Si2 O5_5 C25_5 -171.8(4) . . . . ?
Na5 Si2 O5_5 C25_5 173.2(5) 2_775 . . . ?
O6_4 Si2 O5_5 Na5 102.8(2) . . . 2_775 ?
O6_5 Si2 O5_5 Na5 -169.8(2) . . . 2_775 ?
O1_6 Si2 O5_5 Na5 -74.5(2) . . . 2_775 ?
O5_4 Si2 O5_5 Na5 15.0(2) . . . 2_775 ?
C21_5 C26_5 O6_5 Si2 -173.1(6) . . . . ?
C25_5 C26_5 O6_5 Si2 6.5(7) . . . . ?
O5_5 Si2 O6_5 C26_5 -5.6(4) . . . . ?
O6_4 Si2 O6_5 C26_5 91.2(4) . . . . ?
O1_6 Si2 O6_5 C26_5 -94.0(4) . . . . ?
O2_6 Si2 O6_5 C26_5 179.1(4) . . . . ?
Na5 Si2 O6_5 C26_5 -13.8(5) 2_775 . . . ?
O1_6 C1_6 C2_6 C3_6 179.6(7) . . . . ?
C6_6 C1_6 C2_6 C3_6 -1.3(11) . . . . ?
C1_6 C2_6 C3_6 C4_6 1.4(12) . . . . ?
C2_6 C3_6 C4_6 C5_6 0.5(12) . . . . ?
C3_6 C4_6 C5_6 C6_6 -2.3(11) . . . . ?
C3_6 C4_6 C5_6 C7_6 175.9(7) . . . . ?
C4_6 C5_6 C6_6 O2_6 -177.9(6) . . . . ?
C7_6 C5_6 C6_6 O2_6 4.0(11) . . . . ?
C4_6 C5_6 C6_6 C1_6 2.4(10) . . . . ?
C7_6 C5_6 C6_6 C1_6 -175.7(6) . . . . ?
O1_6 C1_6 C6_6 O2_6 -1.2(8) . . . . ?
C2_6 C1_6 C6_6 O2_6 179.6(6) . . . . ?
O1_6 C1_6 C6_6 C5_6 178.5(6) . . . . ?
C2_6 C1_6 C6_6 C5_6 -0.6(11) . . . . ?
C6_6 C5_6 C7_6 O3_6 -164.2(7) . . . . ?
C4_6 C5_6 C7_6 O3_6 17.6(11) . . . . ?
C6_6 C5_6 C7_6 N1_6 16.7(10) . . . . ?
C4_6 C5_6 C7_6 N1_6 -161.5(7) . . . . ?
C13_6 C8_6 C9_6 C10_6 -0.1(11) . . . . ?
N1_6 C8_6 C9_6 C10_6 176.4(6) . . . . ?
C8_6 C9_6 C10_6 C11_6 1.1(12) . . . . ?
C9_6 C10_6 C11_6 C12_6 -1.7(11) . . . . ?
C9_6 C10_6 C11_6 C14_6 -178.7(7) . . . . ?
C10_6 C11_6 C12_6 C13_6 1.4(11) . . . . ?
C14_6 C11_6 C12_6 C13_6 178.5(7) . . . . ?
C9_6 C8_6 C13_6 C12_6 -0.2(11) . . . . ?
N1_6 C8_6 C13_6 C12_6 -176.5(6) . . . . ?
C11_6 C12_6 C13_6 C8_6 -0.5(11) . . . . ?
C10_6 C11_6 C14_6 C19_6 -37.6(11) . . . . ?
C12_6 C11_6 C14_6 C19_6 145.5(7) . . . . ?
C10_6 C11_6 C14_6 C15_6 139.8(8) . . . . ?
C12_6 C11_6 C14_6 C15_6 -37.1(11) . . . . ?
C19_6 C14_6 C15_6 C16_6 -0.7(11) . . . . ?
C11_6 C14_6 C15_6 C16_6 -178.1(7) . . . . ?
C14_6 C15_6 C16_6 C17_6 2.7(11) . . . . ?
C15_6 C16_6 C17_6 C18_6 -4.1(10) . . . . ?
C15_6 C16_6 C17_6 N2_6 175.1(6) . . . . ?
C16_6 C17_6 C18_6 C19_6 3.5(10) . . . . ?
N2_6 C17_6 C18_6 C19_6 -175.6(6) . . . . ?
C15_6 C14_6 C19_6 C18_6 0.0(10) . . . . ?
C11_6 C14_6 C19_6 C18_6 177.5(6) . . . . ?
C17_6 C18_6 C19_6 C14_6 -1.5(10) . . . . ?
O4_6 C20_6 C21_6 C26_6 179.0(6) . . . . ?
N2_6 C20_6 C21_6 C26_6 -0.7(9) . . . . ?
O4_6 C20_6 C21_6 C22_6 4.4(9) . . . . ?
N2_6 C20_6 C21_6 C22_6 -175.2(5) . . . . ?
C26_6 C21_6 C22_6 C23_6 -0.9(9) . . . . ?
C20_6 C21_6 C22_6 C23_6 174.0(6) . . . . ?
C21_6 C22_6 C23_6 C24_6 -2.6(10) . . . . ?
C22_6 C23_6 C24_6 C25_6 2.4(10) . . . . ?
C23_6 C24_6 C25_6 O5_6 -177.6(6) . . . . ?
C23_6 C24_6 C25_6 C26_6 1.2(9) . . . . ?
C22_6 C21_6 C26_6 O6_6 -177.9(6) . . . . ?
C20_6 C21_6 C26_6 O6_6 7.7(10) . . . . ?
C22_6 C21_6 C26_6 C25_6 4.6(9) . . . . ?
C20_6 C21_6 C26_6 C25_6 -169.9(6) . . . . ?
O5_6 C25_6 C26_6 O6_6 -3.7(7) . . . . ?
C24_6 C25_6 C26_6 O6_6 177.4(5) . . . . ?
O5_6 C25_6 C26_6 C21_6 174.1(5) . . . . ?
C24_6 C25_6 C26_6 C21_6 -4.8(9) . . . . ?
O3_6 C7_6 N1_6 C8_6 -9.0(12) . . . . ?
C5_6 C7_6 N1_6 C8_6 170.2(6) . . . . ?
C9_6 C8_6 N1_6 C7_6 163.7(7) . . . . ?
C13_6 C8_6 N1_6 C7_6 -19.9(11) . . . . ?
O4_6 C20_6 N2_6 C17_6 -7.7(10) . . . . ?
C21_6 C20_6 N2_6 C17_6 171.9(6) . . . . ?
C18_6 C17_6 N2_6 C20_6 -9.1(10) . . . . ?
C16_6 C17_6 N2_6 C20_6 171.8(6) . . . . ?
C2_6 C1_6 O1_6 Si2 175.5(6) . . . . ?
C6_6 C1_6 O1_6 Si2 -3.7(7) . . . . ?
O5_5 Si2 O1_6 C1_6 -171.5(4) . . . . ?
O6_5 Si2 O1_6 C1_6 -83.3(4) . . . . ?
O5_4 Si2 O1_6 C1_6 101.6(4) . . . . ?
O2_6 Si2 O1_6 C1_6 5.5(4) . . . . ?
Na5 Si2 O1_6 C1_6 149.8(4) 2_775 . . . ?
C5_6 C6_6 O2_6 Si2 -174.3(6) . . . . ?
C1_6 C6_6 O2_6 Si2 5.5(7) . . . . ?
O6_4 Si2 O2_6 C6_6 176.9(4) . . . . ?
O6_5 Si2 O2_6 C6_6 89.2(4) . . . . ?
O1_6 Si2 O2_6 C6_6 -6.1(4) . . . . ?
O5_4 Si2 O2_6 C6_6 -95.2(4) . . . . ?
Na5 Si2 O2_6 C6_6 -74.1(5) 2_775 . . . ?
N1_6 C7_6 O3_6 Na1 -66.5(12) . . . . ?
C5_6 C7_6 O3_6 Na1 114.5(9) . . . . ?
N2_6 C20_6 O4_6 Na8 -86.4(8) . . . . ?
C21_6 C20_6 O4_6 Na8 94.0(8) . . . . ?
C24_6 C25_6 O5_6 Si1 169.6(5) . . . . ?
C26_6 C25_6 O5_6 Si1 -9.3(6) . . . . ?
C24_6 C25_6 O5_6 Na3 -9.5(9) . . . . ?
C26_6 C25_6 O5_6 Na3 171.6(4) . . . . ?
O6_6 Si1 O5_6 C25_6 14.5(4) . . . . ?
O2_4 Si1 O5_6 C25_6 -72.1(4) . . . . ?
O1_5 Si1 O5_6 C25_6 111.0(4) . . . . ?
O1_4 Si1 O5_6 C25_6 -160.2(4) . . . . ?
Na3 Si1 O5_6 C25_6 -179.3(5) . . . . ?
O6_6 Si1 O5_6 Na3 -166.2(2) . . . . ?
O2_4 Si1 O5_6 Na3 107.2(2) . . . . ?
O1_5 Si1 O5_6 Na3 -69.7(2) . . . . ?
O1_4 Si1 O5_6 Na3 19.1(2) . . . . ?
C21_6 C26_6 O6_6 Si1 -162.8(5) . . . . ?
C25_6 C26_6 O6_6 Si1 14.9(6) . . . . ?
O2_5 Si1 O6_6 C26_6 166.8(4) . . . . ?
O2_4 Si1 O6_6 C26_6 79.8(4) . . . . ?
O1_5 Si1 O6_6 C26_6 -106.0(4) . . . . ?
O5_6 Si1 O6_6 C26_6 -16.5(4) . . . . ?
Na3 Si1 O6_6 C26_6 -26.9(4) . . . . ?
