#------------------------------------------------------------------------------
#$Date: 2017-01-01 09:38:59 +0200 (Sun, 01 Jan 2017) $
#$Revision: 189731 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/11/92/7119215.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_7119215
loop_
_publ_author_name
'Ojeda-Amador, Ana I'
'Martínez-Martínez, Antonio J'
'Kennedy, Alan R.'
'Armstrong, David R.'
'O'Hara, Charles T'
_publ_section_title
;
 Monodentate coordination of the normally chelating chiral diamine
 (R,R)-TMCDA.
;
_journal_issue                   2
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              324
_journal_page_last               327
_journal_paper_doi               10.1039/c6cc07190b
_journal_volume                  53
_journal_year                    2016
_chemical_formula_moiety         'C22 H58 N4 Na2 Si4'
_chemical_formula_sum            'C22 H58 N4 Na2 Si4'
_chemical_formula_weight         537.06
_chemical_properties_physical
', Air-sensitive,Moisture-sensitive,Oxygen-sensitive'
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-08-31 deposited with the CCDC.
2016-12-07 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 116.408(2)
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   16.9445(2)
_cell_length_b                   37.8065(3)
_cell_length_c                   17.8856(2)
_cell_measurement_reflns_used    41130
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      73.0160
_cell_measurement_theta_min      3.7830
_cell_volume                     10262.1(3)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_molecular_graphics    'SHELXLE (Hubschle, Sheldrick and Dittrich)'
_computing_publication_material  'CIFTAB-2014/2 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Oxford Diffraction Gemini S'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0439
_diffrn_reflns_av_unetI/netI     0.0438
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       46
_diffrn_reflns_limit_k_min       -46
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            101381
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        70.000
_diffrn_reflns_theta_max         73.181
_diffrn_reflns_theta_min         3.138
_exptl_absorpt_coefficient_mu    1.972
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.56431
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.043
_exptl_crystal_description       fragment
_exptl_crystal_F_000             3552
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.3
_refine_diff_density_max         0.758
_refine_diff_density_min         -0.370
_refine_diff_density_rms         0.058
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.013(13)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1826
_refine_ls_number_reflns         39530
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.0441
_refine_ls_R_factor_gt           0.0410
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0694P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1030
_refine_ls_wR_factor_ref         0.1059
_reflns_Friedel_coverage         0.969
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.989
_reflns_number_gt                37174
_reflns_number_total             39530
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6cc07190b2.cif
_cod_data_source_block           amao176smart
_cod_original_cell_volume        10262.1(2)
_cod_database_code               7119215
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -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
Na1 Na 0.46504(8) 0.55641(3) 0.25726(7) 0.0250(2) Uani 1 1 d . .
Na2 Na 0.45966(9) 0.62507(3) 0.35230(8) 0.0298(3) Uani 1 1 d . .
Na3 Na 0.55585(8) 0.39408(3) 0.73869(8) 0.0261(2) Uani 1 1 d . .
Na4 Na 0.54868(9) 0.46112(3) 0.63653(8) 0.0303(3) Uani 1 1 d . .
Na5 Na 0.54794(8) 0.71956(3) 0.73101(8) 0.0274(2) Uani 1 1 d . .
Na6 Na 0.52352(9) 0.79028(3) 0.62890(8) 0.0294(3) Uani 1 1 d . .
Na7 Na -0.03198(8) 0.44106(3) 0.26555(8) 0.0268(2) Uani 1 1 d . .
Na8 Na -0.03559(9) 0.37614(3) 0.37171(8) 0.0299(3) Uani 1 1 d . .
Na9 Na 0.04698(8) 0.28182(3) 0.76125(8) 0.0273(2) Uani 1 1 d . .
Na10 Na 0.03397(9) 0.21237(3) 0.65579(8) 0.0284(3) Uani 1 1 d . .
Na11 Na 0.05570(8) 0.61700(3) 0.74024(8) 0.0262(2) Uani 1 1 d . .
Na12 Na 0.03956(9) 0.54769(3) 0.63466(8) 0.0283(3) Uani 1 1 d . .
Si1 Si 0.55525(5) 0.55325(2) 0.46602(5) 0.02403(16) Uani 1 1 d . .
Si2 Si 0.36470(6) 0.56637(2) 0.41101(6) 0.02681(17) Uani 1 1 d . .
Si3 Si 0.55614(5) 0.64803(2) 0.24231(5) 0.02556(16) Uani 1 1 d . .
Si4 Si 0.36863(6) 0.62834(2) 0.14628(5) 0.02670(17) Uani 1 1 d . .
Si5 Si 0.65457(5) 0.46868(2) 0.84498(5) 0.02658(17) Uani 1 1 d . .
Si6 Si 0.46513(6) 0.48620(2) 0.75381(6) 0.02912(18) Uani 1 1 d . .
Si7 Si 0.64185(5) 0.40306(2) 0.57695(5) 0.02375(16) Uani 1 1 d . .
Si8 Si 0.45358(5) 0.38667(2) 0.52737(5) 0.02300(16) Uani 1 1 d . .
Si9 Si 0.61639(6) 0.79706(3) 0.83013(6) 0.03064(18) Uani 1 1 d . .
Si10 Si 0.41858(5) 0.79944(2) 0.73927(6) 0.02751(17) Uani 1 1 d . .
Si11 Si 0.62977(5) 0.73678(2) 0.56049(5) 0.02487(16) Uani 1 1 d . .
Si12 Si 0.44502(5) 0.71844(2) 0.52050(5) 0.02359(16) Uani 1 1 d . .
Si13 Si -0.13079(5) 0.43595(2) 0.42141(5) 0.02421(16) Uani 1 1 d . .
Si14 Si 0.05921(5) 0.45130(2) 0.47478(5) 0.02293(16) Uani 1 1 d . .
Si15 Si -0.12817(6) 0.36602(2) 0.16233(5) 0.02844(18) Uani 1 1 d . .
Si16 Si 0.05880(6) 0.34827(3) 0.26980(6) 0.03265(19) Uani 1 1 d . .
Si17 Si -0.04135(5) 0.28652(2) 0.55049(5) 0.02226(15) Uani 1 1 d . .
Si18 Si 0.14572(5) 0.26657(2) 0.60047(5) 0.02445(16) Uani 1 1 d . .
Si19 Si -0.08138(5) 0.20183(2) 0.75532(5) 0.02593(17) Uani 1 1 d . .
Si20 Si 0.11393(5) 0.20272(2) 0.85981(5) 0.02808(17) Uani 1 1 d . .
Si21 Si -0.06628(5) 0.53502(2) 0.74195(5) 0.02596(17) Uani 1 1 d . .
Si22 Si 0.13169(5) 0.53744(2) 0.83594(5) 0.02638(17) Uani 1 1 d . .
Si23 Si -0.04125(5) 0.62067(2) 0.52674(5) 0.02223(16) Uani 1 1 d . .
Si24 Si 0.14636(5) 0.60340(2) 0.57607(5) 0.02297(16) Uani 1 1 d . .
N1 N 0.40599(18) 0.49276(7) 0.20696(17) 0.0294(6) Uani 1 1 d . .
N2 N 0.53753(18) 0.52942(7) 0.17415(18) 0.0292(5) Uani 1 1 d . .
N3 N 0.45534(16) 0.56630(6) 0.39315(16) 0.0233(5) Uani 1 1 d . .
N4 N 0.46994(16) 0.62111(6) 0.22487(16) 0.0222(5) Uani 1 1 d . .
N5 N 0.62155(19) 0.33181(7) 0.79445(17) 0.0295(6) Uani 1 1 d . .
N6 N 0.48925(18) 0.36766(7) 0.82710(18) 0.0298(6) Uani 1 1 d . .
N7 N 0.55224(16) 0.45993(7) 0.76942(16) 0.0239(5) Uani 1 1 d . .
N8 N 0.55268(16) 0.40243(7) 0.59663(16) 0.0227(5) Uani 1 1 d . .
N9 N 0.5135(2) 0.67774(8) 0.8343(2) 0.0358(6) Uani 1 1 d . .
N10 N 0.64401(18) 0.66503(7) 0.77813(18) 0.0301(6) Uani 1 1 d . .
N11 N 0.51790(16) 0.78200(7) 0.75823(16) 0.0250(5) Uani 1 1 d . .
N12 N 0.54537(16) 0.73346(6) 0.58709(16) 0.0226(5) Uani 1 1 d . .
N13 N -0.0710(2) 0.50723(7) 0.22977(17) 0.0311(6) Uani 1 1 d . .
N14 N 0.00638(19) 0.46324(8) 0.14912(18) 0.0312(6) Uani 1 1 d . .
N15 N -0.03988(16) 0.43588(6) 0.40478(16) 0.0217(5) Uani 1 1 d . .
N16 N -0.02968(17) 0.37505(7) 0.24283(16) 0.0266(5) Uani 1 1 d . .
N17 N 0.03348(19) 0.31742(8) 0.88319(19) 0.0327(6) Uani 1 1 d . .
N18 N 0.11761(19) 0.34343(7) 0.78725(17) 0.0293(6) Uani 1 1 d . .
N19 N 0.05715(16) 0.27039(6) 0.62030(16) 0.0222(5) Uani 1 1 d . .
N20 N 0.02064(16) 0.21869(7) 0.78187(16) 0.0252(5) Uani 1 1 d . .
N21 N 0.04343(18) 0.64931(7) 0.86473(18) 0.0288(5) Uani 1 1 d . .
N22 N 0.11844(18) 0.68041(7) 0.76687(16) 0.0259(5) Uani 1 1 d . .
N23 N 0.03371(16) 0.55296(7) 0.76451(16) 0.0246(5) Uani 1 1 d . .
N24 N 0.05816(16) 0.60589(6) 0.59721(16) 0.0221(5) Uani 1 1 d . .
C1 C 0.4359(2) 0.47804(8) 0.1467(2) 0.0302(7) Uani 1 1 d . .
H1 H 0.3958 0.4880 0.0907 0.036 Uiso 1 1 calc R U
C2 C 0.4287(3) 0.43734(9) 0.1381(2) 0.0394(8) Uani 1 1 d . .
H2A H 0.4657 0.4264 0.1931 0.047 Uiso 1 1 calc R U
H2B H 0.3669 0.4302 0.1211 0.047 Uiso 1 1 calc R U
C3 C 0.4580(3) 0.42369(10) 0.0742(3) 0.0493(10) Uani 1 1 d . .
H3A H 0.4535 0.3976 0.0711 0.059 Uiso 1 1 calc R U
H3B H 0.4189 0.4334 0.0184 0.059 Uiso 1 1 calc R U
C4 C 0.5520(3) 0.43467(11) 0.0984(3) 0.0500(10) Uani 1 1 d . .
H4A H 0.5704 0.4259 0.0564 0.060 Uiso 1 1 calc R U
H4B H 0.5915 0.4242 0.1531 0.060 Uiso 1 1 calc R U
C5 C 0.5596(3) 0.47496(10) 0.1039(3) 0.0412(8) Uani 1 1 d . .
H5A H 0.5233 0.4852 0.0480 0.049 Uiso 1 1 calc R U
H5B H 0.6217 0.4818 0.1210 0.049 Uiso 1 1 calc R U
C6 C 0.5294(2) 0.49038(8) 0.1664(2) 0.0290(6) Uani 1 1 d . .
H6 H 0.5695 0.4804 0.2224 0.035 Uiso 1 1 calc R U
C7 C 0.4444(3) 0.47445(9) 0.2878(2) 0.0351(7) Uani 1 1 d . .
H7A H 0.4174 0.4510 0.2815 0.053 Uiso 1 1 calc R U
H7B H 0.4332 0.4883 0.3285 0.053 Uiso 1 1 calc R U
H7C H 0.5080 0.4719 0.3074 0.053 Uiso 1 1 calc R U
C8 C 0.3100(2) 0.49169(10) 0.1730(3) 0.0405(8) Uani 1 1 d . .
H8A H 0.2835 0.5024 0.1172 0.061 Uiso 1 1 calc R U
H8B H 0.2916 0.5049 0.2097 0.061 Uiso 1 1 calc R U
H8C H 0.2905 0.4671 0.1693 0.061 Uiso 1 1 calc R U
C9 C 0.6303(2) 0.54064(10) 0.2141(3) 0.0384(8) Uani 1 1 d . .
H9A H 0.6565 0.5365 0.1758 0.058 Uiso 1 1 calc R U
H9B H 0.6625 0.5270 0.2654 0.058 Uiso 1 1 calc R U
H9C H 0.6337 0.5659 0.2278 0.058 Uiso 1 1 calc R U
C10 C 0.4930(3) 0.54838(9) 0.0945(2) 0.0398(8) Uani 1 1 d . .
H10A H 0.5239 0.5438 0.0603 0.060 Uiso 1 1 calc R U
H10B H 0.4935 0.5738 0.1052 0.060 Uiso 1 1 calc R U
H10C H 0.4320 0.5401 0.0648 0.060 Uiso 1 1 calc R U
C11 C 0.5536(2) 0.51506(9) 0.5345(2) 0.0342(7) Uani 1 1 d . .
H14X H 0.5212 0.5221 0.5658 0.051 Uiso 1 1 calc R U
H14Y H 0.6142 0.5088 0.5736 0.051 Uiso 1 1 calc R U
H14Z H 0.5246 0.4946 0.4994 0.051 Uiso 1 1 calc R U
C12 C 0.6278(2) 0.53823(10) 0.4175(2) 0.0337(7) Uani 1 1 d . .
H12A H 0.5999 0.5183 0.3800 0.051 Uiso 1 1 calc R U
H12B H 0.6851 0.5308 0.4615 0.051 Uiso 1 1 calc R U
H12C H 0.6362 0.5578 0.3857 0.051 Uiso 1 1 calc R U
C13 C 0.6198(3) 0.58893(10) 0.5417(2) 0.0389(8) Uani 1 1 d . .
H13A H 0.6310 0.6084 0.5114 0.058 Uiso 1 1 calc R U
H13B H 0.6761 0.5793 0.5829 0.058 Uiso 1 1 calc R U
H13C H 0.5861 0.5978 0.5703 0.058 Uiso 1 1 calc R U
C14 C 0.3107(3) 0.52228(11) 0.4018(3) 0.0493(10) Uani 1 1 d . .
H14A H 0.2605 0.5248 0.4146 0.074 Uiso 1 1 calc R U
H14B H 0.3533 0.5056 0.4412 0.074 Uiso 1 1 calc R U
H14C H 0.2902 0.5133 0.3448 0.074 Uiso 1 1 calc R U
C15 C 0.2756(2) 0.59565(11) 0.3339(3) 0.0407(8) Uani 1 1 d . .
H15A H 0.2599 0.5875 0.2770 0.061 Uiso 1 1 calc R U
H15B H 0.2970 0.6201 0.3403 0.061 Uiso 1 1 calc R U
H15C H 0.2235 0.5946 0.3443 0.061 Uiso 1 1 calc R U
C16 C 0.3851(3) 0.58446(11) 0.5164(2) 0.0413(8) Uani 1 1 d . .
H16A H 0.4075 0.6087 0.5221 0.062 Uiso 1 1 calc R U
H16B H 0.4285 0.5696 0.5604 0.062 Uiso 1 1 calc R U
H16C H 0.3298 0.5844 0.5214 0.062 Uiso 1 1 calc R U
C17 C 0.6015(3) 0.64598(12) 0.1635(3) 0.0464(9) Uani 1 1 d . .
H17A H 0.5556 0.6530 0.1085 0.070 Uiso 1 1 calc R U
H17B H 0.6207 0.6218 0.1606 0.070 Uiso 1 1 calc R U
H17C H 0.6518 0.6621 0.1803 0.070 Uiso 1 1 calc R U
C18 C 0.5292(3) 0.69624(9) 0.2461(3) 0.0443(9) Uani 1 1 d . .
H18A H 0.4798 0.7030 0.1930 0.066 Uiso 1 1 calc R U
H18B H 0.5808 0.7107 0.2555 0.066 Uiso 1 1 calc R U
H18C H 0.5130 0.7000 0.2917 0.066 Uiso 1 1 calc R U
C19 C 0.6519(2) 0.63814(11) 0.3456(2) 0.0435(9) Uani 1 1 d . .
H19A H 0.6715 0.6137 0.3457 0.065 Uiso 1 1 calc R U
H19B H 0.6339 0.6411 0.3903 0.065 Uiso 1 1 calc R U
H19C H 0.7004 0.6544 0.3548 0.065 Uiso 1 1 calc R U
C20 C 0.3656(2) 0.64255(10) 0.0437(2) 0.0381(8) Uani 1 1 d . .
H20A H 0.3967 0.6251 0.0261 0.057 Uiso 1 1 calc R U
H20B H 0.3943 0.6656 0.0506 0.057 Uiso 1 1 calc R U
H20C H 0.3042 0.6443 0.0013 0.057 Uiso 1 1 calc R U
C21 C 0.3038(2) 0.66304(10) 0.1712(3) 0.0412(8) Uani 1 1 d . .
H21A H 0.3330 0.6860 0.1783 0.062 Uiso 1 1 calc R U
H21B H 0.3006 0.6566 0.2229 0.062 Uiso 1 1 calc R U
H21C H 0.2441 0.6645 0.1253 0.062 Uiso 1 1 calc R U
C22 C 0.3000(2) 0.58664(10) 0.1229(3) 0.0407(8) Uani 1 1 d . .
H22A H 0.2393 0.5919 0.0823 0.061 Uiso 1 1 calc R U
H22B H 0.3004 0.5777 0.1745 0.061 Uiso 1 1 calc R U
H22C H 0.3247 0.5687 0.0997 0.061 Uiso 1 1 calc R U
C23 C 0.5029(2) 0.32906(9) 0.8416(2) 0.0326(7) Uani 1 1 d . .
H23 H 0.4618 0.3171 0.7886 0.039 Uiso 1 1 calc R U
C24 C 0.4808(3) 0.31500(11) 0.9109(3) 0.0463(9) Uani 1 1 d . .
H24A H 0.5198 0.3266 0.9643 0.056 Uiso 1 1 calc R U
H24B H 0.4192 0.3213 0.8974 0.056 Uiso 1 1 calc R U
C25 C 0.4920(4) 0.27499(12) 0.9210(4) 0.0605(12) Uani 1 1 d . .
H25A H 0.4784 0.2671 0.9668 0.073 Uiso 1 1 calc R U
H25B H 0.4503 0.2632 0.8689 0.073 Uiso 1 1 calc R U
C26 C 0.5854(4) 0.26471(12) 0.9405(3) 0.0588(12) Uani 1 1 d . .
H26A H 0.5917 0.2387 0.9454 0.071 Uiso 1 1 calc R U
H26B H 0.6268 0.2752 0.9945 0.071 Uiso 1 1 calc R U
C27 C 0.6083(3) 0.27771(10) 0.8714(3) 0.0433(9) Uani 1 1 d . .
H27A H 0.5698 0.2657 0.8184 0.052 Uiso 1 1 calc R U
H27B H 0.6701 0.2713 0.8858 0.052 Uiso 1 1 calc R U
C28 C 0.5970(2) 0.31806(9) 0.8588(2) 0.0317(7) Uani 1 1 d . .
H28 H 0.6379 0.3293 0.9129 0.038 Uiso 1 1 calc R U
C29 C 0.5349(3) 0.38881(10) 0.9030(2) 0.0402(8) Uani 1 1 d . .
H29A H 0.5338 0.4138 0.8879 0.060 Uiso 1 1 calc R U
H29B H 0.5961 0.3808 0.9330 0.060 Uiso 1 1 calc R U
H29C H 0.5053 0.3860 0.9388 0.060 Uiso 1 1 calc R U
C30 C 0.3958(2) 0.37709(10) 0.7887(3) 0.0393(8) Uani 1 1 d . .
H30A H 0.3885 0.4013 0.7672 0.059 Uiso 1 1 calc R U
H30B H 0.3733 0.3755 0.8305 0.059 Uiso 1 1 calc R U
H30C H 0.3629 0.3608 0.7427 0.059 Uiso 1 1 calc R U
C31 C 0.7172(2) 0.33185(10) 0.8242(2) 0.0394(8) Uani 1 1 d . .
H31A H 0.7386 0.3074 0.8304 0.059 Uiso 1 1 calc R U
H31B H 0.7454 0.3439 0.8782 0.059 Uiso 1 1 calc R U
H31C H 0.7317 0.3442 0.7838 0.059 Uiso 1 1 calc R U
C32 C 0.5811(3) 0.31213(10) 0.7155(2) 0.0365(7) Uani 1 1 d . .
H32A H 0.5908 0.3249 0.6726 0.055 Uiso 1 1 calc R U
H32B H 0.5176 0.3098 0.6978 0.055 Uiso 1 1 calc R U
H32C H 0.6078 0.2886 0.7234 0.055 Uiso 1 1 calc R U
C33 C 0.7264(2) 0.42807(10) 0.8705(2) 0.0405(8) Uani 1 1 d . .
H33A H 0.7243 0.4182 0.8190 0.061 Uiso 1 1 calc R U
H33B H 0.7050 0.4104 0.8973 0.061 Uiso 1 1 calc R U
H33C H 0.7873 0.4345 0.9085 0.061 Uiso 1 1 calc R U
C34 C 0.6628(3) 0.48406(11) 0.9486(2) 0.0414(8) Uani 1 1 d . .
H34A H 0.6271 0.5054 0.9402 0.062 Uiso 1 1 calc R U
H34B H 0.7245 0.4893 0.9865 0.062 Uiso 1 1 calc R U
H34C H 0.6412 0.4654 0.9728 0.062 Uiso 1 1 calc R U
C35 C 0.7137(2) 0.50385(10) 0.8145(3) 0.0412(8) Uani 1 1 d . .
H35A H 0.7108 0.4981 0.7599 0.062 Uiso 1 1 calc R U
H35B H 0.7755 0.5050 0.8563 0.062 Uiso 1 1 calc R U
H35C H 0.6856 0.5268 0.8113 0.062 Uiso 1 1 calc R U
C36 C 0.3697(2) 0.47626(11) 0.6495(3) 0.0475(10) Uani 1 1 d . .
H36A H 0.3878 0.4799 0.6051 0.071 Uiso 1 1 calc R U
H36B H 0.3204 0.4921 0.6406 0.071 Uiso 1 1 calc R U
H36C H 0.3512 0.4516 0.6485 0.071 Uiso 1 1 calc R U
C37 C 0.4214(3) 0.48245(12) 0.8338(3) 0.0496(10) Uani 1 1 d . .
H37A H 0.3693 0.4975 0.8172 0.074 Uiso 1 1 calc R U
H37B H 0.4669 0.4901 0.8883 0.074 Uiso 1 1 calc R U
H37C H 0.4054 0.4578 0.8372 0.074 Uiso 1 1 calc R U
C38 C 0.4874(3) 0.53501(9) 0.7500(3) 0.0438(9) Uani 1 1 d . .
H38A H 0.5010 0.5397 0.7030 0.066 Uiso 1 1 calc R U
H38B H 0.5376 0.5421 0.8022 0.066 Uiso 1 1 calc R U
H38C H 0.4352 0.5486 0.7427 0.066 Uiso 1 1 calc R U
C39 C 0.7280(2) 0.43481(10) 0.6489(2) 0.0370(8) Uani 1 1 d . .
H39A H 0.7811 0.4329 0.6405 0.055 Uiso 1 1 calc R U
H39B H 0.7424 0.4290 0.7070 0.055 Uiso 1 1 calc R U
H39C H 0.7051 0.4590 0.6367 0.055 Uiso 1 1 calc R U
C40 C 0.7020(2) 0.35991(10) 0.5920(3) 0.0379(8) Uani 1 1 d . .
H40A H 0.6615 0.3419 0.5554 0.057 Uiso 1 1 calc R U
H40B H 0.7244 0.3524 0.6503 0.057 Uiso 1 1 calc R U
H40C H 0.7513 0.3629 0.5781 0.057 Uiso 1 1 calc R U
C41 C 0.6176(2) 0.41858(10) 0.4682(2) 0.0363(7) Uani 1 1 d . .
H41A H 0.5750 0.4025 0.4269 0.054 Uiso 1 1 calc R U
H41B H 0.6722 0.4187 0.4620 0.054 Uiso 1 1 calc R U
H41C H 0.5930 0.4425 0.4594 0.054 Uiso 1 1 calc R U
C42 C 0.3852(2) 0.37178(9) 0.5805(2) 0.0321(7) Uani 1 1 d . .
H42A H 0.3285 0.3628 0.5387 0.048 Uiso 1 1 calc R U
H42B H 0.3751 0.3918 0.6100 0.048 Uiso 1 1 calc R U
H42C H 0.4164 0.3530 0.6206 0.048 Uiso 1 1 calc R U
C43 C 0.4596(2) 0.34724(9) 0.4644(2) 0.0317(7) Uani 1 1 d . .
H43A H 0.4003 0.3376 0.4320 0.047 Uiso 1 1 calc R U
H43B H 0.4976 0.3290 0.5023 0.047 Uiso 1 1 calc R U
H43C H 0.4838 0.3548 0.4264 0.047 Uiso 1 1 calc R U
C44 C 0.3828(2) 0.42000(10) 0.4471(2) 0.0365(8) Uani 1 1 d . .
H44A H 0.4150 0.4293 0.4174 0.055 Uiso 1 1 calc R U
H44B H 0.3683 0.4395 0.4749 0.055 Uiso 1 1 calc R U
H44C H 0.3284 0.4086 0.4072 0.055 Uiso 1 1 calc R U
C45 C 0.5658(2) 0.64468(9) 0.8602(2) 0.0325(7) Uani 1 1 d . .
H45 H 0.5312 0.6261 0.8188 0.039 Uiso 1 1 calc R U
C46 C 0.5812(3) 0.63090(10) 0.9469(3) 0.0427(9) Uani 1 1 d . .
H46A H 0.6177 0.6481 0.9903 0.051 Uiso 1 1 calc R U
H46B H 0.5240 0.6286 0.9488 0.051 Uiso 1 1 calc R U
C47 C 0.6277(4) 0.59491(11) 0.9651(3) 0.0536(11) Uani 1 1 d . .
H47A H 0.6397 0.5871 1.0220 0.064 Uiso 1 1 calc R U
H47B H 0.5887 0.5772 0.9250 0.064 Uiso 1 1 calc R U
C48 C 0.7129(3) 0.59692(11) 0.9583(3) 0.0530(11) Uani 1 1 d . .
H48A H 0.7390 0.5730 0.9657 0.064 Uiso 1 1 calc R U
H48B H 0.7549 0.6122 1.0035 0.064 Uiso 1 1 calc R U
C49 C 0.6992(3) 0.61172(10) 0.8743(3) 0.0434(9) Uani 1 1 d . .
H49A H 0.6630 0.5950 0.8296 0.052 Uiso 1 1 calc R U
H49B H 0.7571 0.6140 0.8735 0.052 Uiso 1 1 calc R U
C50 C 0.6534(2) 0.64810(9) 0.8563(2) 0.0306(7) Uani 1 1 d . .
H50 H 0.6913 0.6641 0.9031 0.037 Uiso 1 1 calc R U
C51 C 0.4192(3) 0.67005(13) 0.8051(4) 0.0588(13) Uani 1 1 d . .
H51A H 0.3851 0.6918 0.7843 0.088 Uiso 1 1 calc R U
H51B H 0.4096 0.6607 0.8514 0.088 Uiso 1 1 calc R U
H51C H 0.4002 0.6525 0.7600 0.088 Uiso 1 1 calc R U
C52 C 0.5421(3) 0.70449(11) 0.9003(3) 0.0466(9) Uani 1 1 d . .
H52A H 0.5128 0.7270 0.8770 0.070 Uiso 1 1 calc R U
H52B H 0.6061 0.7076 0.9238 0.070 Uiso 1 1 calc R U
H52C H 0.5265 0.6968 0.9444 0.070 Uiso 1 1 calc R U
C53 C 0.7301(3) 0.67350(12) 0.7820(3) 0.0468(9) Uani 1 1 d . .
H53A H 0.7592 0.6516 0.7782 0.070 Uiso 1 1 calc R U
H53B H 0.7666 0.6854 0.8350 0.070 Uiso 1 1 calc R U
H53C H 0.7222 0.6891 0.7355 0.070 Uiso 1 1 calc R U
C54 C 0.5931(3) 0.64386(10) 0.7041(2) 0.0401(8) Uani 1 1 d . .
H54A H 0.5883 0.6565 0.6544 0.060 Uiso 1 1 calc R U
H54B H 0.5340 0.6397 0.6995 0.060 Uiso 1 1 calc R U
H54C H 0.6227 0.6211 0.7085 0.060 Uiso 1 1 calc R U
C55 C 0.6272(3) 0.80724(12) 0.9373(2) 0.0453(9) Uani 1 1 d . .
H55A H 0.5912 0.8280 0.9344 0.068 Uiso 1 1 calc R U
H55B H 0.6891 0.8122 0.9752 0.068 Uiso 1 1 calc R U
H55C H 0.6071 0.7869 0.9581 0.068 Uiso 1 1 calc R U
C56 C 0.7052(2) 0.76337(13) 0.8486(3) 0.0474(10) Uani 1 1 d . .
H56A H 0.7042 0.7568 0.7951 0.071 Uiso 1 1 calc R U
H56B H 0.6948 0.7423 0.8748 0.071 Uiso 1 1 calc R U
H56C H 0.7628 0.7735 0.8854 0.071 Uiso 1 1 calc R U
C57 C 0.6519(3) 0.83868(12) 0.7941(3) 0.0508(10) Uani 1 1 d . .
H57A H 0.6508 0.8344 0.7395 0.076 Uiso 1 1 calc R U
H57B H 0.7119 0.8451 0.8346 0.076 Uiso 1 1 calc R U
H57C H 0.6116 0.8580 0.7894 0.076 Uiso 1 1 calc R U
C58 C 0.4208(3) 0.84157(11) 0.7969(3) 0.0497(11) Uani 1 1 d . .
H58A H 0.4546 0.8596 0.7843 0.074 Uiso 1 1 calc R U
H58B H 0.4486 0.8370 0.8571 0.074 Uiso 1 1 calc R U
H58C H 0.3604 0.8500 0.7793 0.074 Uiso 1 1 calc R U
C59 C 0.3443(2) 0.76848(11) 0.7608(3) 0.0435(9) Uani 1 1 d . .
H59A H 0.2873 0.7799 0.7454 0.065 Uiso 1 1 calc R U
H59B H 0.3714 0.7625 0.8203 0.065 Uiso 1 1 calc R U
H59C H 0.3355 0.7468 0.7278 0.065 Uiso 1 1 calc R U
C60 C 0.3536(2) 0.81126(11) 0.6252(2) 0.0422(8) Uani 1 1 d . .
H60A H 0.3446 0.7900 0.5910 0.063 Uiso 1 1 calc R U
H60B H 0.3863 0.8289 0.6098 0.063 Uiso 1 1 calc R U
H60C H 0.2963 0.8210 0.6156 0.063 Uiso 1 1 calc R U
C61 C 0.7230(2) 0.76399(10) 0.6388(2) 0.0363(7) Uani 1 1 d . .
H61A H 0.7649 0.7695 0.6165 0.054 Uiso 1 1 calc R U
H61B H 0.7530 0.7506 0.6908 0.054 Uiso 1 1 calc R U
H61C H 0.6995 0.7860 0.6499 0.054 Uiso 1 1 calc R U
C62 C 0.6810(3) 0.69365(9) 0.5519(3) 0.0403(8) Uani 1 1 d . .
H62A H 0.6378 0.6799 0.5052 0.060 Uiso 1 1 calc R U
H62B H 0.6993 0.6802 0.6038 0.060 Uiso 1 1 calc R U
H62C H 0.7325 0.6984 0.5421 0.060 Uiso 1 1 calc R U
C63 C 0.5991(2) 0.75919(9) 0.4566(2) 0.0346(7) Uani 1 1 d . .
H63A H 0.5493 0.7467 0.4127 0.052 Uiso 1 1 calc R U
H63B H 0.6496 0.7586 0.4437 0.052 Uiso 1 1 calc R U
H63C H 0.5826 0.7838 0.4595 0.052 Uiso 1 1 calc R U
C64 C 0.3822(2) 0.70301(10) 0.5786(2) 0.0332(7) Uani 1 1 d . .
H64A H 0.3218 0.6970 0.5387 0.050 Uiso 1 1 calc R U
H64B H 0.3811 0.7219 0.6157 0.050 Uiso 1 1 calc R U
H64C H 0.4111 0.6821 0.6119 0.050 Uiso 1 1 calc R U
C65 C 0.4452(2) 0.67989(8) 0.4523(2) 0.0340(7) Uani 1 1 d . .
H65A H 0.3847 0.6716 0.4192 0.051 Uiso 1 1 calc R U
H65B H 0.4811 0.6606 0.4877 0.051 Uiso 1 1 calc R U
H65C H 0.4699 0.6876 0.4148 0.051 Uiso 1 1 calc R U
C66 C 0.3722(2) 0.75246(9) 0.4429(2) 0.0350(7) Uani 1 1 d . .
H66A H 0.3996 0.7602 0.4076 0.052 Uiso 1 1 calc R U
H66B H 0.3648 0.7729 0.4731 0.052 Uiso 1 1 calc R U
H66C H 0.3145 0.7420 0.4080 0.052 Uiso 1 1 calc R U
C67 C -0.0343(2) 0.52360(9) 0.1774(2) 0.0341(7) Uani 1 1 d . .
H67 H 0.0284 0.5297 0.2152 0.041 Uiso 1 1 calc R U
C68 C -0.0800(3) 0.55825(10) 0.1346(3) 0.0500(10) Uani 1 1 d . .
H68A H -0.1429 0.5534 0.0979 0.060 Uiso 1 1 calc R U
H68B H -0.0767 0.5754 0.1778 0.060 Uiso 1 1 calc R U
C69 C -0.0383(4) 0.57469(11) 0.0829(3) 0.0676(15) Uani 1 1 d . .
H69A H -0.0712 0.5963 0.0548 0.081 Uiso 1 1 calc R U
H69B H 0.0233 0.5816 0.1200 0.081 Uiso 1 1 calc R U
C70 C -0.0393(4) 0.54855(12) 0.0176(3) 0.0651(14) Uani 1 1 d . .
H70A H -0.0105 0.5593 -0.0145 0.078 Uiso 1 1 calc R U
H70B H -0.1009 0.5428 -0.0218 0.078 Uiso 1 1 calc R U
C71 C 0.0096(4) 0.51484(12) 0.0607(3) 0.0537(11) Uani 1 1 d . .
H71A H 0.0719 0.5206 0.0979 0.064 Uiso 1 1 calc R U
H71B H 0.0085 0.4979 0.0181 0.064 Uiso 1 1 calc R U
C72 C -0.0327(2) 0.49758(9) 0.1122(2) 0.0323(7) Uani 1 1 d . .
H72 H -0.0956 0.4928 0.0724 0.039 Uiso 1 1 calc R U
C73 C -0.1656(3) 0.50097(11) 0.1863(3) 0.0421(8) Uani 1 1 d . .
H73A H -0.1967 0.5237 0.1727 0.063 Uiso 1 1 calc R U
H73B H -0.1841 0.4872 0.2221 0.063 Uiso 1 1 calc R U
H73C H -0.1796 0.4878 0.1347 0.063 Uiso 1 1 calc R U
C74 C -0.0524(3) 0.52853(10) 0.3039(2) 0.0475(10) Uani 1 1 d . .
H74A H -0.0892 0.5498 0.2878 0.071 Uiso 1 1 calc R U
H74B H 0.0099 0.5354 0.3303 0.071 Uiso 1 1 calc R U
H74C H -0.0654 0.5147 0.3434 0.071 Uiso 1 1 calc R U
C75 C -0.0139(3) 0.43617(10) 0.0845(3) 0.0418(8) Uani 1 1 d . .
H75A H -0.0776 0.4357 0.0485 0.063 Uiso 1 1 calc R U
H75B H 0.0053 0.4130 0.1109 0.063 Uiso 1 1 calc R U
H75C H 0.0169 0.4417 0.0508 0.063 Uiso 1 1 calc R U
C76 C 0.1016(3) 0.46397(13) 0.2009(3) 0.0475(9) Uani 1 1 d . .
H76A H 0.1313 0.4681 0.1656 0.071 Uiso 1 1 calc R U
H76B H 0.1209 0.4413 0.2299 0.071 Uiso 1 1 calc R U
H76C H 0.1165 0.4831 0.2421 0.071 Uiso 1 1 calc R U
C77 C -0.2154(2) 0.40354(11) 0.3494(2) 0.0385(8) Uani 1 1 d . .
H77A H -0.2300 0.4094 0.2913 0.058 Uiso 1 1 calc R U
H77B H -0.2687 0.4049 0.3577 0.058 Uiso 1 1 calc R U
H77C H -0.1914 0.3795 0.3619 0.058 Uiso 1 1 calc R U
C78 C -0.1913(3) 0.47927(10) 0.4020(3) 0.0402(8) Uani 1 1 d . .
H78A H -0.2131 0.4858 0.3431 0.060 Uiso 1 1 calc R U
H78B H -0.1512 0.4976 0.4372 0.060 Uiso 1 1 calc R U
H78C H -0.2411 0.4769 0.4155 0.060 Uiso 1 1 calc R U
C79 C -0.1105(2) 0.42166(10) 0.5297(2) 0.0337(7) Uani 1 1 d . .
H79A H -0.1663 0.4219 0.5338 0.050 Uiso 1 1 calc R U
H79B H -0.0689 0.4380 0.5709 0.050 Uiso 1 1 calc R U
H79C H -0.0859 0.3977 0.5405 0.050 Uiso 1 1 calc R U
C80 C 0.1305(2) 0.46443(10) 0.4233(2) 0.0348(7) Uani 1 1 d . .
H80A H 0.1373 0.4442 0.3924 0.052 Uiso 1 1 calc R U
H80B H 0.1885 0.4718 0.4660 0.052 Uiso 1 1 calc R U
H80C H 0.1027 0.4841 0.3847 0.052 Uiso 1 1 calc R U
C81 C 0.1269(2) 0.41850(9) 0.5578(2) 0.0347(7) Uani 1 1 d . .
H81A H 0.1434 0.3988 0.5322 0.052 Uiso 1 1 calc R U
H81B H 0.0922 0.4096 0.5854 0.052 Uiso 1 1 calc R U
H81C H 0.1802 0.4301 0.5991 0.052 Uiso 1 1 calc R U
C82 C 0.0545(2) 0.49147(8) 0.5369(2) 0.0321(7) Uani 1 1 d . .
H82A H 0.0188 0.5100 0.4984 0.048 Uiso 1 1 calc R U
H82B H 0.1143 0.5004 0.5706 0.048 Uiso 1 1 calc R U
H82C H 0.0280 0.4847 0.5736 0.048 Uiso 1 1 calc R U
C83 C -0.1928(3) 0.33185(11) 0.1894(3) 0.0449(9) Uani 1 1 d . .
H83A H -0.2499 0.3280 0.1411 0.067 Uiso 1 1 calc R U
H83B H -0.2021 0.3403 0.2367 0.067 Uiso 1 1 calc R U
H83C H -0.1598 0.3096 0.2044 0.067 Uiso 1 1 calc R U
C84 C -0.1266(3) 0.34948(10) 0.0633(2) 0.0412(8) Uani 1 1 d . .
H84A H -0.1862 0.3423 0.0234 0.062 Uiso 1 1 calc R U
H84B H -0.0869 0.3291 0.0762 0.062 Uiso 1 1 calc R U
H84C H -0.1059 0.3684 0.0388 0.062 Uiso 1 1 calc R U
C85 C -0.2005(3) 0.40668(11) 0.1297(3) 0.0437(9) Uani 1 1 d . .
H85A H -0.1762 0.4239 0.1045 0.066 Uiso 1 1 calc R U
H85B H -0.2027 0.4173 0.1787 0.066 Uiso 1 1 calc R U
H85C H -0.2601 0.4000 0.0889 0.066 Uiso 1 1 calc R U
C86 C 0.1187(4) 0.35187(19) 0.2058(4) 0.086(2) Uani 1 1 d . .
H86A H 0.0765 0.3545 0.1469 0.129 Uiso 1 1 calc R U
H86B H 0.1540 0.3305 0.2127 0.129 Uiso 1 1 calc R U
H86C H 0.1577 0.3725 0.2237 0.129 Uiso 1 1 calc R U
C87 C 0.0314(3) 0.29939(11) 0.2689(3) 0.0598(13) Uani 1 1 d . .
H87A H -0.0045 0.2917 0.2112 0.090 Uiso 1 1 calc R U
H87B H -0.0015 0.2957 0.3015 0.090 Uiso 1 1 calc R U
H87C H 0.0861 0.2856 0.2934 0.090 Uiso 1 1 calc R U
C88 C 0.1420(2) 0.35597(12) 0.3808(3) 0.0466(10) Uani 1 1 d . .
H88A H 0.1962 0.3429 0.3921 0.070 Uiso 1 1 calc R U
H88B H 0.1182 0.3477 0.4186 0.070 Uiso 1 1 calc R U
H88C H 0.1552 0.3813 0.3898 0.070 Uiso 1 1 calc R U
C89 C 0.1004(2) 0.34594(9) 0.9187(2) 0.0304(6) Uani 1 1 d . .
H89 H 0.1581 0.3339 0.9519 0.036 Uiso 1 1 calc R U
C90 C 0.1105(2) 0.36680(8) 0.8501(2) 0.0299(7) Uani 1 1 d . .
H90 H 0.0550 0.3807 0.8203 0.036 Uiso 1 1 calc R U
C91 C 0.1858(3) 0.39390(9) 0.8893(2) 0.0389(8) Uani 1 1 d . .
H91A H 0.2422 0.3812 0.9201 0.047 Uiso 1 1 calc R U
H91B H 0.1902 0.4078 0.8443 0.047 Uiso 1 1 calc R U
C92 C 0.1713(3) 0.41897(10) 0.9486(3) 0.0476(10) Uani 1 1 d . .
H92A H 0.1176 0.4332 0.9172 0.057 Uiso 1 1 calc R U
H92B H 0.2220 0.4353 0.9743 0.057 Uiso 1 1 calc R U
C93 C 0.1614(3) 0.39794(11) 1.0167(3) 0.0474(9) Uani 1 1 d . .
H93A H 0.1493 0.4143 1.0535 0.057 Uiso 1 1 calc R U
H93B H 0.2171 0.3854 1.0511 0.057 Uiso 1 1 calc R U
C94 C 0.0865(3) 0.37120(11) 0.9787(3) 0.0446(9) Uani 1 1 d . .
H94A H 0.0301 0.3840 0.9482 0.054 Uiso 1 1 calc R U
H94B H 0.0826 0.3574 1.0239 0.054 Uiso 1 1 calc R U
C95 C 0.0378(3) 0.29281(11) 0.9485(3) 0.0464(9) Uani 1 1 d . .
H95A H 0.0033 0.2716 0.9226 0.070 Uiso 1 1 calc R U
H95B H 0.0136 0.3043 0.9830 0.070 Uiso 1 1 calc R U
H95C H 0.0992 0.2862 0.9836 0.070 Uiso 1 1 calc R U
C96 C -0.0564(2) 0.33074(11) 0.8375(3) 0.0454(9) Uani 1 1 d . .
H96A H -0.0586 0.3480 0.7956 0.068 Uiso 1 1 calc R U
H96B H -0.0746 0.3422 0.8765 0.068 Uiso 1 1 calc R U
H96C H -0.0962 0.3110 0.8097 0.068 Uiso 1 1 calc R U
C97 C 0.2042(2) 0.32648(10) 0.8171(2) 0.0367(7) Uani 1 1 d . .
H97A H 0.2014 0.3077 0.7781 0.055 Uiso 1 1 calc R U
H97B H 0.2209 0.3162 0.8724 0.055 Uiso 1 1 calc R U
H97C H 0.2481 0.3441 0.8207 0.055 Uiso 1 1 calc R U
C98 C 0.0988(3) 0.36251(11) 0.7100(2) 0.0443(9) Uani 1 1 d . .
H98A H 0.0958 0.3457 0.6671 0.066 Uiso 1 1 calc R U
H98B H 0.1458 0.3797 0.7203 0.066 Uiso 1 1 calc R U
H98C H 0.0424 0.3749 0.6909 0.066 Uiso 1 1 calc R U
C99 C -0.1075(2) 0.30284(9) 0.6046(2) 0.0325(7) Uani 1 1 d . .
H99A H -0.1663 0.3099 0.5628 0.049 Uiso 1 1 calc R U
H99B H -0.0778 0.3232 0.6397 0.049 Uiso 1 1 calc R U
H99C H -0.1129 0.2839 0.6394 0.049 Uiso 1 1 calc R U
C100 C -0.0365(2) 0.32456(9) 0.4835(2) 0.0326(7) Uani 1 1 d . .
H10D H -0.0067 0.3168 0.4503 0.049 Uiso 1 1 calc R U
H10E H -0.0038 0.3443 0.5194 0.049 Uiso 1 1 calc R U
H10F H -0.0965 0.3323 0.4461 0.049 Uiso 1 1 calc R U
C101 C -0.1134(2) 0.25358(9) 0.4702(2) 0.0324(7) Uani 1 1 d . .
H10G H -0.1688 0.2650 0.4323 0.049 Uiso 1 1 calc R U
H10H H -0.1260 0.2336 0.4983 0.049 Uiso 1 1 calc R U
H10I H -0.0830 0.2450 0.4383 0.049 Uiso 1 1 calc R U
C102 C 0.2092(2) 0.30852(10) 0.6079(3) 0.0390(8) Uani 1 1 d . .
H10J H 0.2566 0.3036 0.5922 0.058 Uiso 1 1 calc R U
H10K H 0.2345 0.3174 0.6653 0.058 Uiso 1 1 calc R U
H10L H 0.1694 0.3263 0.5701 0.058 Uiso 1 1 calc R U
C103 C 0.1206(2) 0.24811(9) 0.4942(2) 0.0336(7) Uani 1 1 d . .
H10M H 0.0813 0.2643 0.4509 0.050 Uiso 1 1 calc R U
H10N H 0.0920 0.2250 0.4873 0.050 Uiso 1 1 calc R U
H10O H 0.1756 0.2454 0.4892 0.050 Uiso 1 1 calc R U
C104 C 0.2295(2) 0.23537(11) 0.6770(2) 0.0403(8) Uani 1 1 d . .
H10P H 0.2010 0.2128 0.6771 0.060 Uiso 1 1 calc R U
H10Q H 0.2542 0.2458 0.7330 0.060 Uiso 1 1 calc R U
H10R H 0.2768 0.2313 0.6606 0.060 Uiso 1 1 calc R U
C105 C -0.1567(2) 0.23274(10) 0.7757(2) 0.0391(8) Uani 1 1 d . .
H10S H -0.1626 0.2549 0.7453 0.059 Uiso 1 1 calc R U
H10T H -0.1320 0.2377 0.8357 0.059 Uiso 1 1 calc R U
H10U H -0.2148 0.2217 0.7568 0.059 Uiso 1 1 calc R U
C106 C -0.1410(2) 0.19234(11) 0.6398(2) 0.0385(8) Uani 1 1 d . .
H10V H -0.1466 0.2142 0.6085 0.058 Uiso 1 1 calc R U
H10W H -0.1997 0.1829 0.6260 0.058 Uiso 1 1 calc R U
H10X H -0.1075 0.1749 0.6248 0.058 Uiso 1 1 calc R U
C107 C -0.0853(3) 0.15858(10) 0.8058(3) 0.0430(9) Uani 1 1 d . .
H10Y H -0.1465 0.1505 0.7835 0.064 Uiso 1 1 calc R U
H10Z H -0.0613 0.1619 0.8663 0.064 Uiso 1 1 calc R U
H110 H -0.0502 0.1409 0.7939 0.064 Uiso 1 1 calc R U
C108 C 0.1097(3) 0.19072(11) 0.9609(2) 0.0426(9) Uani 1 1 d . .
H111 H 0.0778 0.2091 0.9749 0.064 Uiso 1 1 calc R U
H112 H 0.1698 0.1888 1.0058 0.064 Uiso 1 1 calc R U
H113 H 0.0793 0.1680 0.9541 0.064 Uiso 1 1 calc R U
C109 C 0.2054(2) 0.23643(11) 0.8914(3) 0.0449(9) Uani 1 1 d . .
H114 H 0.2104 0.2446 0.8417 0.067 Uiso 1 1 calc R U
H115 H 0.2611 0.2256 0.9304 0.067 Uiso 1 1 calc R U
H116 H 0.1921 0.2566 0.9185 0.067 Uiso 1 1 calc R U
C110 C 0.1560(3) 0.16202(11) 0.8278(3) 0.0474(9) Uani 1 1 d . .
H11A H 0.1115 0.1433 0.8115 0.071 Uiso 1 1 calc R U
H11B H 0.2104 0.1539 0.8748 0.071 Uiso 1 1 calc R U
H11C H 0.1681 0.1678 0.7804 0.071 Uiso 1 1 calc R U
C111 C 0.1059(2) 0.67887(8) 0.90044(19) 0.0255(6) Uani 1 1 d . .
H11D H 0.1655 0.6681 0.9324 0.031 Uiso 1 1 calc R U
C112 C 0.0891(3) 0.70244(10) 0.9623(2) 0.0365(7) Uani 1 1 d . .
H11E H 0.0308 0.7139 0.9329 0.044 Uiso 1 1 calc R U
H11F H 0.0880 0.6875 1.0074 0.044 Uiso 1 1 calc R U
C113 C 0.1600(3) 0.73080(10) 1.0007(2) 0.0414(8) Uani 1 1 d . .
H11G H 0.1458 0.7461 1.0379 0.050 Uiso 1 1 calc R U
H11H H 0.2176 0.7194 1.0346 0.050 Uiso 1 1 calc R U
C114 C 0.1662(3) 0.75324(9) 0.9330(2) 0.0389(8) Uani 1 1 d . .
H11I H 0.2146 0.7706 0.9588 0.047 Uiso 1 1 calc R U
H11J H 0.1105 0.7665 0.9026 0.047 Uiso 1 1 calc R U
C115 C 0.1831(2) 0.72999(8) 0.8721(2) 0.0338(7) Uani 1 1 d . .
H11K H 0.2409 0.7181 0.9020 0.041 Uiso 1 1 calc R U
H11L H 0.1855 0.7450 0.8277 0.041 Uiso 1 1 calc R U
C116 C 0.1110(2) 0.70194(8) 0.83219(19) 0.0256(6) Uani 1 1 d . .
H11M H 0.0538 0.7149 0.8046 0.031 Uiso 1 1 calc R U
C117 C -0.0483(2) 0.66077(11) 0.8201(3) 0.0457(9) Uani 1 1 d . .
H11N H -0.0538 0.6781 0.7774 0.069 Uiso 1 1 calc R U
H11O H -0.0668 0.6716 0.8597 0.069 Uiso 1 1 calc R U
H11P H -0.0858 0.6403 0.7935 0.069 Uiso 1 1 calc R U
C118 C 0.0523(3) 0.62322(10) 0.9290(3) 0.0440(9) Uani 1 1 d . .
H11Q H 0.0204 0.6016 0.9021 0.066 Uiso 1 1 calc R U
H11R H 0.0276 0.6330 0.9649 0.066 Uiso 1 1 calc R U
H11S H 0.1147 0.6177 0.9629 0.066 Uiso 1 1 calc R U
C119 C 0.0924(3) 0.70066(10) 0.6897(2) 0.0377(8) Uani 1 1 d . .
H11T H 0.0901 0.6849 0.6453 0.057 Uiso 1 1 calc R U
H11U H 0.1356 0.7195 0.6988 0.057 Uiso 1 1 calc R U
H11V H 0.0342 0.7112 0.6734 0.057 Uiso 1 1 calc R U
C120 C 0.2075(2) 0.66668(9) 0.7928(2) 0.0349(7) Uani 1 1 d . .
H12D H 0.2068 0.6493 0.7518 0.052 Uiso 1 1 calc R U
H12E H 0.2283 0.6553 0.8475 0.052 Uiso 1 1 calc R U
H12F H 0.2471 0.6862 0.7964 0.052 Uiso 1 1 calc R U
C121 C -0.1438(2) 0.56573(10) 0.7595(2) 0.0359(7) Uani 1 1 d . .
H12G H -0.1507 0.5875 0.7275 0.054 Uiso 1 1 calc R U
H12H H -0.1198 0.5714 0.8190 0.054 Uiso 1 1 calc R U
H12I H -0.2013 0.5542 0.7411 0.054 Uiso 1 1 calc R U
C122 C -0.0654(2) 0.49279(9) 0.7980(3) 0.0399(8) Uani 1 1 d . .
H12J H -0.1251 0.4829 0.7746 0.060 Uiso 1 1 calc R U
H12K H -0.0451 0.4977 0.8575 0.060 Uiso 1 1 calc R U
H12L H -0.0256 0.4757 0.7911 0.060 Uiso 1 1 calc R U
C123 C -0.1275(2) 0.52361(11) 0.6276(2) 0.0407(8) Uani 1 1 d . .
H12M H -0.1328 0.5448 0.5941 0.061 Uiso 1 1 calc R U
H12N H -0.1864 0.5148 0.6154 0.061 Uiso 1 1 calc R U
H12O H -0.0950 0.5053 0.6139 0.061 Uiso 1 1 calc R U
C124 C 0.2189(2) 0.57281(11) 0.8630(3) 0.0418(9) Uani 1 1 d . .
H12P H 0.2192 0.5817 0.8117 0.063 Uiso 1 1 calc R U
H12Q H 0.2768 0.5628 0.8993 0.063 Uiso 1 1 calc R U
H12R H 0.2060 0.5923 0.8921 0.063 Uiso 1 1 calc R U
C125 C 0.1414(3) 0.52307(10) 0.9404(2) 0.0395(8) Uani 1 1 d . .
H12S H 0.1042 0.5023 0.9332 0.059 Uiso 1 1 calc R U
H12T H 0.1222 0.5423 0.9651 0.059 Uiso 1 1 calc R U
H12U H 0.2029 0.5171 0.9774 0.059 Uiso 1 1 calc R U
C126 C 0.1710(3) 0.49810(10) 0.7962(3) 0.0427(8) Uani 1 1 d . .
H12V H 0.1273 0.4791 0.7810 0.064 Uiso 1 1 calc R U
H12W H 0.2274 0.4898 0.8400 0.064 Uiso 1 1 calc R U
H12X H 0.1785 0.5051 0.7470 0.064 Uiso 1 1 calc R U
C127 C -0.0391(2) 0.65796(8) 0.4563(2) 0.0302(7) Uani 1 1 d . .
H12Y H -0.0131 0.6494 0.4205 0.045 Uiso 1 1 calc R U
H12Z H -0.0037 0.6776 0.4906 0.045 Uiso 1 1 calc R U
H117 H -0.0994 0.6661 0.4215 0.045 Uiso 1 1 calc R U
C128 C -0.1080(2) 0.63726(9) 0.5801(2) 0.0330(7) Uani 1 1 d . .
H11W H -0.1141 0.6184 0.6147 0.049 Uiso 1 1 calc R U
H118 H -0.1664 0.6445 0.5380 0.049 Uiso 1 1 calc R U
H119 H -0.0780 0.6576 0.6155 0.049 Uiso 1 1 calc R U
C129 C -0.1116(2) 0.58601(9) 0.4497(2) 0.0325(7) Uani 1 1 d . .
H11X H -0.1670 0.5967 0.4098 0.049 Uiso 1 1 calc R U
H11Y H -0.1243 0.5669 0.4798 0.049 Uiso 1 1 calc R U
H11Z H -0.0800 0.5764 0.4198 0.049 Uiso 1 1 calc R U
C130 C 0.2362(2) 0.57461(10) 0.6541(2) 0.0376(8) Uani 1 1 d . .
H13D H 0.2115 0.5516 0.6578 0.056 Uiso 1 1 calc R U
H13E H 0.2613 0.5861 0.7090 0.056 Uiso 1 1 calc R U
H13F H 0.2825 0.5712 0.6361 0.056 Uiso 1 1 calc R U
C131 C 0.1208(2) 0.58334(10) 0.4712(2) 0.0333(7) Uani 1 1 d . .
H13G H 0.0737 0.5969 0.4272 0.050 Uiso 1 1 calc R U
H13H H 0.1017 0.5588 0.4698 0.050 Uiso 1 1 calc R U
H13I H 0.1737 0.5839 0.4622 0.050 Uiso 1 1 calc R U
C132 C 0.2029(2) 0.64642(9) 0.5772(2) 0.0312(7) Uani 1 1 d . .
H13J H 0.2503 0.6421 0.5611 0.047 Uiso 1 1 calc R U
H13K H 0.2278 0.6566 0.6335 0.047 Uiso 1 1 calc R U
H13L H 0.1602 0.6630 0.5377 0.047 Uiso 1 1 calc R U
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Na Na 0.1353 0.1239 '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'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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
N4 Na1 N2 100.50(10) . .
N4 Na1 N3 95.74(9) . .
N2 Na1 N3 151.55(10) . .
N4 Na1 N1 149.54(10) . .
N2 Na1 N1 68.70(9) . .
N3 Na1 N1 106.75(10) . .
N4 Na1 C22 63.84(9) . .
N2 Na1 C22 101.96(12) . .
N3 Na1 C22 106.15(11) . .
N1 Na1 C22 89.84(10) . .
N4 Na1 C12 109.06(10) . .
N2 Na1 C12 89.36(10) . .
N3 Na1 C12 63.16(9) . .
N1 Na1 C12 99.46(10) . .
C22 Na1 C12 167.43(11) . .
N4 Na1 Na2 48.08(7) . .
N2 Na1 Na2 142.62(8) . .
N3 Na1 Na2 47.66(6) . .
N1 Na1 Na2 148.68(8) . .
C22 Na1 Na2 82.91(9) . .
C12 Na1 Na2 84.77(8) . .
N4 Na1 Si4 29.58(6) . .
N2 Na1 Si4 102.52(7) . .
N3 Na1 Si4 103.11(7) . .
N1 Na1 Si4 122.41(7) . .
C22 Na1 Si4 34.27(7) . .
C12 Na1 Si4 138.04(8) . .
Na2 Na1 Si4 61.41(3) . .
N4 Na1 Si1 104.20(7) . .
N2 Na1 Si1 122.77(8) . .
N3 Na1 Si1 29.38(6) . .
N1 Na1 Si1 105.45(7) . .
C22 Na1 Si1 135.27(10) . .
C12 Na1 Si1 33.79(7) . .
Na2 Na1 Si1 62.14(3) . .
Si4 Na1 Si1 123.55(4) . .
N3 Na2 N4 105.39(10) . .
N3 Na2 C65 118.32(11) . .
N4 Na2 C65 136.23(11) . .
N3 Na2 Na1 52.88(7) . .
N4 Na2 Na1 52.51(7) . .
C65 Na2 Na1 170.88(9) . .
N3 Na2 Si2 31.52(7) . .
N4 Na2 Si2 122.58(8) . .
C65 Na2 Si2 95.97(9) . .
Na1 Na2 Si2 75.02(4) . .
N3 Na2 Si3 123.02(8) . .
N4 Na2 Si3 31.25(6) . .
C65 Na2 Si3 113.87(9) . .
Na1 Na2 Si3 75.14(4) . .
Si2 Na2 Si3 150.16(5) . .
N3 Na2 Si4 108.57(8) . .
N4 Na2 Si4 29.09(6) . .
C65 Na2 Si4 123.43(9) . .
Na1 Na2 Si4 62.40(4) . .
Si2 Na2 Si4 109.90(4) . .
Si3 Na2 Si4 54.17(3) . .
N3 Na2 Si1 28.08(6) . .
N4 Na2 Si1 108.12(7) . .
C65 Na2 Si1 111.47(9) . .
Na1 Na2 Si1 62.20(3) . .
Si2 Na2 Si1 54.02(3) . .
Si3 Na2 Si1 110.71(4) . .
Si4 Na2 Si1 124.59(4) . .
N6 Na3 N8 149.46(10) . .
N6 Na3 N7 100.99(10) . .
N8 Na3 N7 95.86(9) . .
N6 Na3 N5 68.67(10) . .
N8 Na3 N5 108.12(10) . .
N7 Na3 N5 147.64(10) . .
N6 Na3 C33 102.37(11) . .
N8 Na3 C33 108.01(11) . .
N7 Na3 C33 62.19(9) . .
N5 Na3 C33 89.32(10) . .
N6 Na3 Na4 141.58(8) . .
N8 Na3 Na4 47.86(6) . .
N7 Na3 Na4 48.00(7) . .
N5 Na3 Na4 149.75(8) . .
C33 Na3 Na4 83.54(8) . .
N6 Na3 C29 27.59(9) . .
N8 Na3 C29 172.24(11) . .
N7 Na3 C29 80.56(10) . .
N5 Na3 C29 77.87(10) . .
C33 Na3 C29 76.51(11) . .
Na4 Na3 C29 128.13(8) . .
N6 Na3 Si5 102.95(8) . .
N8 Na3 Si5 104.05(7) . .
N7 Na3 Si5 28.82(6) . .
N5 Na3 Si5 121.05(7) . .
C33 Na3 Si5 33.38(7) . .
Na4 Na3 Si5 62.01(4) . .
C29 Na3 Si5 76.10(7) . .
N6 Na3 Si8 121.06(8) . .
N8 Na3 Si8 28.71(6) . .
N7 Na3 Si8 105.69(7) . .
N5 Na3 Si8 105.73(7) . .
C33 Na3 Si8 136.57(9) . .
Na4 Na3 Si8 62.88(4) . .
C29 Na3 Si8 145.84(8) . .
Si5 Na3 Si8 124.87(4) . .
N8 Na4 N7 107.39(10) . .
N8 Na4 C11 119.00(11) . .
N7 Na4 C11 133.41(11) . .
N8 Na4 Na3 53.48(7) . .
N7 Na4 Na3 53.91(7) . .
C11 Na4 Na3 171.76(9) . .
N8 Na4 C39 63.81(9) . .
N7 Na4 C39 109.68(11) . .
C11 Na4 C39 88.14(11) . .
Na3 Na4 C39 85.14(8) . .
N8 Na4 Si7 31.84(7) . .
N7 Na4 Si7 122.46(8) . .
C11 Na4 Si7 97.11(9) . .
Na3 Na4 Si7 74.66(4) . .
C39 Na4 Si7 35.04(7) . .
N8 Na4 Si6 124.76(8) . .
N7 Na4 Si6 31.85(6) . .
C11 Na4 Si6 111.83(9) . .
Na3 Na4 Si6 76.40(4) . .
C39 Na4 Si6 139.65(9) . .
Si7 Na4 Si6 150.98(5) . .
N8 Na4 Si5 110.24(8) . .
N7 Na4 Si5 28.04(6) . .
C11 Na4 Si5 120.85(9) . .
Na3 Na4 Si5 63.42(4) . .
C39 Na4 Si5 85.72(8) . .
Si7 Na4 Si5 109.53(4) . .
Si6 Na4 Si5 53.95(3) . .
N8 Na4 Si8 27.10(6) . .
N7 Na4 Si8 110.95(8) . .
C11 Na4 Si8 112.22(9) . .
Na3 Na4 Si8 62.91(3) . .
C39 Na4 Si8 88.54(7) . .
Si7 Na4 Si8 53.82(3) . .
Si6 Na4 Si8 113.14(5) . .
Si5 Na4 Si8 126.31(4) . .
N11 Na5 N10 149.22(10) . .
N11 Na5 N12 94.95(9) . .
N10 Na5 N12 102.64(10) . .
N11 Na5 N9 107.20(10) . .
N10 Na5 N9 66.13(10) . .
N12 Na5 N9 152.13(10) . .
N11 Na5 C64 100.66(10) . .
N10 Na5 C64 109.79(11) . .
N12 Na5 C64 62.93(9) . .
N9 Na5 C64 95.78(10) . .
N11 Na5 C56 62.94(10) . .
N10 Na5 C56 88.70(11) . .
N12 Na5 C56 101.36(11) . .
N9 Na5 C56 103.67(12) . .
C64 Na5 C56 157.47(12) . .
N11 Na5 C54 177.39(11) . .
N10 Na5 C54 28.28(9) . .
N12 Na5 C54 85.90(10) . .
N9 Na5 C54 72.74(11) . .
C64 Na5 C54 81.93(11) . .
C56 Na5 C54 114.48(11) . .
N11 Na5 C52 83.50(10) . .
N10 Na5 C52 79.72(10) . .
N12 Na5 C52 177.28(11) . .
N9 Na5 C52 27.88(10) . .
C64 Na5 C52 115.10(12) . .
C56 Na5 C52 79.95(13) . .
C54 Na5 C52 95.74(11) . .
N11 Na5 Na6 47.93(7) . .
N10 Na5 Na6 141.46(9) . .
N12 Na5 Na6 47.06(6) . .
N9 Na5 Na6 152.03(8) . .
C64 Na5 Na6 79.71(8) . .
C56 Na5 Na6 77.78(10) . .
C54 Na5 Na6 132.77(9) . .
C52 Na5 Na6 131.43(9) . .
N11 Na5 Si9 29.21(6) . .
N10 Na5 Si9 121.09(8) . .
N12 Na5 Si9 101.29(7) . .
N9 Na5 Si9 106.30(8) . .
C64 Na5 Si9 129.05(8) . .
C56 Na5 Si9 33.84(8) . .
C54 Na5 Si9 148.19(9) . .
C52 Na5 Si9 78.44(8) . .
Na6 Na5 Si9 59.45(4) . .
N11 Na5 Si12 100.36(7) . .
N10 Na5 Si12 107.36(8) . .
N12 Na5 Si12 29.27(5) . .
N9 Na5 Si12 126.71(8) . .
C64 Na5 Si12 33.72(7) . .
C56 Na5 Si12 129.53(10) . .
C54 Na5 Si12 81.59(7) . .
C52 Na5 Si12 148.82(10) . .
Na6 Na5 Si12 59.72(3) . .
Si9 Na5 Si12 119.12(4) . .
N12 Na6 N11 105.57(10) . .
N12 Na6 C43 115.92(11) . 2_656
N11 Na6 C43 137.39(11) . 2_656
N12 Na6 C60 121.72(12) . .
N11 Na6 C60 66.28(10) . .
C43 Na6 C60 97.82(11) 2_656 .
N12 Na6 Na5 54.10(7) . .
N11 Na6 Na5 51.52(7) . .
C43 Na6 Na5 165.46(9) 2_656 .
C60 Na6 Na5 96.65(9) . .
N12 Na6 Si10 120.10(8) . .
N11 Na6 Si10 31.02(6) . .
C43 Na6 Si10 120.82(8) 2_656 .
C60 Na6 Si10 35.43(8) . .
Na5 Na6 Si10 72.64(4) . .
N12 Na6 Si9 110.97(8) . .
N11 Na6 Si9 30.45(6) . .
C43 Na6 Si9 118.14(9) 2_656 .
C60 Na6 Si9 89.48(9) . .
Na5 Na6 Si9 63.25(4) . .
Si10 Na6 Si9 55.62(3) . .
N12 Na6 Si12 29.72(6) . .
N11 Na6 Si12 106.66(8) . .
C43 Na6 Si12 114.02(8) 2_656 .
C60 Na6 Si12 94.27(9) . .
Na5 Na6 Si12 63.40(4) . .
Si10 Na6 Si12 105.35(4) . .
Si9 Na6 Si12 126.60(4) . .
N12 Na6 Si11 29.69(6) . .
N11 Na6 Si11 123.16(8) . .
C43 Na6 Si11 91.89(8) 2_656 .
C60 Na6 Si11 147.76(10) . .
Na5 Na6 Si11 75.03(4) . .
Si10 Na6 Si11 147.24(5) . .
Si9 Na6 Si11 112.79(4) . .
Si12 Na6 Si11 53.93(3) . .
N16 Na7 N15 95.28(9) . .
N16 Na7 N14 99.40(10) . .
N15 Na7 N14 161.84(10) . .
N16 Na7 N13 158.68(10) . .
N15 Na7 N13 101.30(9) . .
N14 Na7 N13 67.40(10) . .
N16 Na7 C80 111.11(10) . .
N15 Na7 C80 62.68(9) . .
N14 Na7 C80 101.74(10) . .
N13 Na7 C80 88.56(10) . .
N16 Na7 C73 135.60(11) . .
N15 Na7 C73 99.14(10) . .
N14 Na7 C73 77.65(10) . .
N13 Na7 C73 28.27(10) . .
C80 Na7 C73 112.85(11) . .
N16 Na7 C76 98.65(12) . .
N15 Na7 C76 138.55(11) . .
N14 Na7 C76 28.08(10) . .
N13 Na7 C76 77.63(12) . .
C80 Na7 C76 75.88(11) . .
C73 Na7 C76 97.64(12) . .
N16 Na7 C85 62.27(9) . .
N15 Na7 C85 107.61(11) . .
N14 Na7 C85 88.76(11) . .
N13 Na7 C85 99.58(10) . .
C80 Na7 C85 168.64(11) . .
C73 Na7 C85 73.35(11) . .
C76 Na7 C85 113.45(12) . .
N16 Na7 Na8 47.79(7) . .
N15 Na7 Na8 47.49(6) . .
N14 Na7 Na8 145.73(8) . .
N13 Na7 Na8 146.82(9) . .
C80 Na7 Na8 85.37(8) . .
C73 Na7 Na8 130.68(9) . .
C76 Na7 Na8 131.64(10) . .
C85 Na7 Na8 83.49(9) . .
N16 Na7 Si14 105.01(7) . .
N15 Na7 Si14 29.16(6) . .
N14 Na7 Si14 134.54(8) . .
N13 Na7 Si14 95.94(7) . .
C80 Na7 Si14 33.52(7) . .
C73 Na7 Si14 107.91(9) . .
C76 Na7 Si14 109.40(9) . .
C85 Na7 Si14 136.57(10) . .
Na8 Na7 Si14 62.54(4) . .
N16 Na7 Si15 28.78(6) . .
N15 Na7 Si15 104.24(7) . .
N14 Na7 Si15 93.74(7) . .
N13 Na7 Si15 131.79(8) . .
C80 Na7 Si15 139.58(8) . .
C73 Na7 Si15 106.83(9) . .
C76 Na7 Si15 106.66(9) . .
C85 Na7 Si15 33.55(7) . .
Na8 Na7 Si15 62.44(4) . .
Si14 Na7 Si15 124.98(4) . .
N15 Na8 N16 106.49(10) . .
N15 Na8 C100 118.73(11) . .
N16 Na8 C100 134.77(11) . .
N15 Na8 C88 111.69(11) . .
N16 Na8 C88 64.86(11) . .
C100 Na8 C88 96.12(12) . .
N15 Na8 C77 64.38(10) . .
N16 Na8 C77 110.54(11) . .
C100 Na8 C77 90.43(11) . .
C88 Na8 C77 173.43(13) . .
N15 Na8 Si16 123.97(8) . .
N16 Na8 Si16 32.71(7) . .
C100 Na8 Si16 110.60(9) . .
C88 Na8 Si16 35.63(8) . .
C77 Na8 Si16 141.33(9) . .
N15 Na8 Na7 53.62(7) . .
N16 Na8 Na7 52.87(7) . .
C100 Na8 Na7 172.29(9) . .
C88 Na8 Na7 86.73(10) . .
C77 Na8 Na7 86.71(9) . .
Si16 Na8 Na7 75.78(4) . .
N15 Na8 Si13 32.20(6) . .
N16 Na8 Si13 122.92(8) . .
C100 Na8 Si13 97.67(9) . .
C88 Na8 Si13 142.20(9) . .
C77 Na8 Si13 35.49(7) . .
Si16 Na8 Si13 151.68(5) . .
Na7 Na8 Si13 75.91(4) . .
N15 Na8 Si15 109.74(8) . .
N16 Na8 Si15 27.43(7) . .
C100 Na8 Si15 124.46(9) . .
C88 Na8 Si15 89.52(8) . .
C77 Na8 Si15 87.11(8) . .
Si16 Na8 Si15 54.22(3) . .
Na7 Na8 Si15 62.58(4) . .
Si13 Na8 Si15 110.68(4) . .
N15 Na8 Si14 27.46(6) . .
N16 Na8 Si14 109.41(8) . .
C100 Na8 Si14 110.41(8) . .
C88 Na8 Si14 87.86(9) . .
C77 Na8 Si14 89.47(8) . .
Si16 Na8 Si14 111.27(5) . .
Na7 Na8 Si14 62.44(3) . .
Si13 Na8 Si14 54.35(3) . .
Si15 Na8 Si14 125.02(4) . .
N20 Na9 N18 160.94(10) . .
N20 Na9 N19 94.41(9) . .
N18 Na9 N19 95.65(9) . .
N20 Na9 N17 106.14(10) . .
N18 Na9 N17 66.10(9) . .
N19 Na9 N17 158.94(10) . .
N20 Na9 C97 134.35(10) . .
N18 Na9 C97 30.05(9) . .
N19 Na9 C97 89.10(10) . .
N17 Na9 C97 79.94(10) . .
N20 Na9 C99 104.83(10) . .
N18 Na9 C99 94.16(10) . .
N19 Na9 C99 63.04(9) . .
N17 Na9 C99 106.11(10) . .
C97 Na9 C99 117.00(11) . .
N20 Na9 Na10 47.63(7) . .
N18 Na9 Na10 139.49(8) . .
N19 Na9 Na10 46.78(6) . .
N17 Na9 Na10 153.58(8) . .
C97 Na9 Na10 119.37(9) . .
C99 Na9 Na10 82.06(7) . .
N20 Na9 Si17 101.30(7) . .
N18 Na9 Si17 95.38(7) . .
N19 Na9 Si17 29.42(5) . .
N17 Na9 Si17 136.90(8) . .
C97 Na9 Si17 103.53(8) . .
C99 Na9 Si17 33.62(7) . .
Na10 Na9 Si17 60.24(3) . .
N20 Na9 Si20 28.23(6) . .
N18 Na9 Si20 133.12(8) . .
N19 Na9 Si20 101.70(7) . .
N17 Na9 Si20 98.67(8) . .
C97 Na9 Si20 106.69(8) . .
C99 Na9 Si20 132.51(8) . .
Na10 Na9 Si20 60.06(3) . .
Si17 Na9 Si20 120.26(4) . .
N19 Na10 N20 105.00(10) . .
N19 Na10 C127 114.38(10) . 2_546
N20 Na10 C127 140.53(10) . 2_546
N19 Na10 C106 119.49(11) . .
N20 Na10 C106 66.55(9) . .
C127 Na10 C106 95.09(11) 2_546 .
N19 Na10 Na9 54.40(7) . .
N20 Na10 Na9 50.61(7) . .
C127 Na10 Na9 168.29(9) 2_546 .
C106 Na10 Na9 94.08(9) . .
N19 Na10 Si19 118.71(8) . .
N20 Na10 Si19 31.28(6) . .
C127 Na10 Si19 120.64(8) 2_546 .
C106 Na10 Si19 35.46(7) . .
Na9 Na10 Si19 70.83(4) . .
N19 Na10 Si18 30.58(6) . .
N20 Na10 Si18 122.89(8) . .
C127 Na10 Si18 92.08(8) 2_546 .
C106 Na10 Si18 146.57(9) . .
Na9 Na10 Si18 76.27(4) . .
Si19 Na10 Si18 146.69(5) . .
N19 Na10 Si20 111.34(8) . .
N20 Na10 Si20 29.21(6) . .
C127 Na10 Si20 124.21(8) 2_546 .
C106 Na10 Si20 88.84(8) . .
Na9 Na10 Si20 63.23(4) . .
Si19 Na10 Si20 54.76(3) . .
Si18 Na10 Si20 113.62(4) . .
N19 Na10 Si17 29.22(6) . .
N20 Na10 Si17 106.27(8) . .
C127 Na10 Si17 109.32(8) 2_546 .
C106 Na10 Si17 92.62(9) . .
Na9 Na10 Si17 62.92(3) . .
Si19 Na10 Si17 104.26(4) . .
Si18 Na10 Si17 54.33(3) . .
Si20 Na10 Si17 126.10(4) . .
N23 Na11 N22 160.52(10) . .
N23 Na11 N24 94.72(9) . .
N22 Na11 N24 98.37(9) . .
N23 Na11 N21 103.15(10) . .
N22 Na11 N21 65.98(9) . .
N24 Na11 N21 161.22(9) . .
N23 Na11 C120 136.49(10) . .
N22 Na11 C120 29.40(9) . .
N24 Na11 C120 91.30(10) . .
N21 Na11 C120 79.76(10) . .
N23 Na11 C128 105.04(10) . .
N22 Na11 C128 93.87(10) . .
N24 Na11 C128 61.79(9) . .
N21 Na11 C128 107.19(10) . .
C120 Na11 C128 115.61(11) . .
N23 Na11 Na12 47.72(7) . .
N22 Na11 Na12 142.90(8) . .
N24 Na11 Na12 47.01(6) . .
N21 Na11 Na12 150.53(8) . .
C120 Na11 Na12 122.87(8) . .
C128 Na11 Na12 81.24(7) . .
N23 Na11 Si22 28.16(6) . .
N22 Na11 Si22 133.88(7) . .
N24 Na11 Si22 100.52(7) . .
N21 Na11 Si22 97.98(7) . .
C120 Na11 Si22 108.47(8) . .
C128 Na11 Si22 132.08(8) . .
Na12 Na11 Si22 58.94(3) . .
N23 Na11 Si23 101.36(7) . .
N22 Na11 Si23 97.02(7) . .
N24 Na11 Si23 28.66(5) . .
N21 Na11 Si23 138.31(8) . .
C120 Na11 Si23 104.18(8) . .
C128 Na11 Si23 33.13(7) . .
Na12 Na11 Si23 59.84(3) . .
Si22 Na11 Si23 118.78(4) . .
N24 Na12 N23 105.54(10) . .
N24 Na12 C82 117.63(11) . .
N23 Na12 C82 136.05(10) . .
N24 Na12 C123 121.80(12) . .
N23 Na12 C123 66.90(10) . .
C82 Na12 C123 95.20(11) . .
N24 Na12 Na11 53.96(7) . .
N23 Na12 Na11 51.58(7) . .
C82 Na12 Na11 168.43(9) . .
C123 Na12 Na11 96.23(9) . .
N24 Na12 Si21 119.46(8) . .
N23 Na12 Si21 31.39(6) . .
C82 Na12 Si21 119.13(8) . .
C123 Na12 Si21 35.59(8) . .
Na11 Na12 Si21 71.86(4) . .
N24 Na12 Si24 30.50(6) . .
N23 Na12 Si24 122.25(7) . .
C82 Na12 Si24 94.11(8) . .
C123 Na12 Si24 149.12(10) . .
Na11 Na12 Si24 75.08(4) . .
Si21 Na12 Si24 146.72(5) . .
N24 Na12 Si22 111.50(8) . .
N23 Na12 Si22 30.14(6) . .
C82 Na12 Si22 117.63(8) . .
C123 Na12 Si22 89.40(8) . .
Na11 Na12 Si22 64.32(4) . .
Si21 Na12 Si22 55.76(3) . .
Si24 Na12 Si22 111.95(4) . .
N24 Na12 Si23 29.19(6) . .
N23 Na12 Si23 108.37(8) . .
C82 Na12 Si23 113.22(8) . .
C123 Na12 Si23 95.36(9) . .
Na11 Na12 Si23 63.90(3) . .
Si21 Na12 Si23 106.23(4) . .
Si24 Na12 Si23 54.03(3) . .
Si22 Na12 Si23 128.22(4) . .
N3 Si1 C13 114.16(15) . .
N3 Si1 C12 111.67(15) . .
C13 Si1 C12 104.97(18) . .
N3 Si1 C11 115.01(15) . .
C13 Si1 C11 104.58(17) . .
C12 Si1 C11 105.53(16) . .
N3 Si1 Na2 40.98(9) . .
C13 Si1 Na2 79.91(12) . .
C12 Si1 Na2 101.74(12) . .
C11 Si1 Na2 149.97(12) . .
N3 Si1 Na1 47.51(9) . .
C13 Si1 Na1 127.46(13) . .
C12 Si1 Na1 64.16(11) . .
C11 Si1 Na1 127.96(12) . .
Na2 Si1 Na1 55.66(3) . .
N3 Si2 C14 115.35(16) . .
N3 Si2 C15 111.08(15) . .
C14 Si2 C15 104.9(2) . .
N3 Si2 C16 114.11(16) . .
C14 Si2 C16 106.0(2) . .
C15 Si2 C16 104.42(18) . .
N3 Si2 Na2 46.22(9) . .
C14 Si2 Na2 152.97(16) . .
C15 Si2 Na2 72.97(13) . .
C16 Si2 Na2 100.49(14) . .
N4 Si3 C19 111.06(15) . .
N4 Si3 C17 116.32(16) . .
C19 Si3 C17 105.5(2) . .
N4 Si3 C18 112.64(16) . .
C19 Si3 C18 105.93(19) . .
C17 Si3 C18 104.6(2) . .
N4 Si3 Na2 46.53(9) . .
C19 Si3 Na2 78.13(14) . .
C17 Si3 Na2 160.54(14) . .
C18 Si3 Na2 92.43(15) . .
N4 Si4 C21 113.53(16) . .
N4 Si4 C20 115.63(15) . .
C21 Si4 C20 105.31(18) . .
N4 Si4 C22 110.28(14) . .
C21 Si4 C22 105.45(18) . .
C20 Si4 C22 105.87(18) . .
N4 Si4 Na2 42.95(10) . .
C21 Si4 Na2 78.17(13) . .
C20 Si4 Na2 152.96(12) . .
C22 Si4 Na2 98.73(13) . .
N4 Si4 Na1 47.54(9) . .
C21 Si4 Na1 127.51(13) . .
C20 Si4 Na1 127.17(13) . .
C22 Si4 Na1 62.77(11) . .
Na2 Si4 Na1 56.19(3) . .
N7 Si5 C33 110.89(15) . .
N7 Si5 C35 113.26(16) . .
C33 Si5 C35 105.99(18) . .
N7 Si5 C34 116.56(16) . .
C33 Si5 C34 104.78(18) . .
C35 Si5 C34 104.47(18) . .
N7 Si5 Na4 40.83(10) . .
C33 Si5 Na4 99.70(13) . .
C35 Si5 Na4 80.15(13) . .
C34 Si5 Na4 152.52(13) . .
N7 Si5 Na3 46.79(9) . .
C33 Si5 Na3 64.12(12) . .
C35 Si5 Na3 128.05(13) . .
C34 Si5 Na3 127.48(14) . .
Na4 Si5 Na3 54.57(3) . .
N7 Si6 C36 110.30(15) . .
N7 Si6 C37 115.97(17) . .
C36 Si6 C37 106.4(2) . .
N7 Si6 C38 113.85(16) . .
C36 Si6 C38 104.81(19) . .
C37 Si6 C38 104.7(2) . .
N7 Si6 Na4 47.01(9) . .
C36 Si6 Na4 73.92(14) . .
C37 Si6 Na4 157.78(14) . .
C38 Si6 Na4 96.51(15) . .
N8 Si7 C40 115.73(15) . .
N8 Si7 C39 110.93(15) . .
C40 Si7 C39 104.44(17) . .
N8 Si7 C41 114.28(15) . .
C40 Si7 C41 105.79(18) . .
C39 Si7 C41 104.63(18) . .
N8 Si7 Na4 46.68(9) . .
C40 Si7 Na4 151.33(13) . .
C39 Si7 Na4 71.21(12) . .
C41 Si7 Na4 102.66(12) . .
N8 Si8 C42 111.67(14) . .
N8 Si8 C44 114.21(15) . .
C42 Si8 C44 105.01(17) . .
N8 Si8 C43 114.45(14) . .
C42 Si8 C43 105.79(16) . .
C44 Si8 C43 104.86(17) . .
N8 Si8 Na4 39.10(9) . .
C42 Si8 Na4 101.47(11) . .
C44 Si8 Na4 82.09(12) . .
C43 Si8 Na4 148.78(11) . .
N8 Si8 Na3 46.13(9) . .
C42 Si8 Na3 65.59(11) . .
C44 Si8 Na3 128.99(13) . .
C43 Si8 Na3 126.12(12) . .
Na4 Si8 Na3 54.21(3) . .
N11 Si9 C55 117.39(17) . .
N11 Si9 C56 110.30(16) . .
C55 Si9 C56 104.55(19) . .
N11 Si9 C57 112.10(17) . .
C55 Si9 C57 105.9(2) . .
C56 Si9 C57 105.7(2) . .
N11 Si9 Na6 45.50(10) . .
C55 Si9 Na6 158.19(13) . .
C56 Si9 Na6 95.55(14) . .
C57 Si9 Na6 76.01(14) . .
N11 Si9 Na5 46.43(9) . .
C55 Si9 Na5 124.84(15) . .
C56 Si9 Na5 64.14(14) . .
C57 Si9 Na5 129.22(15) . .
Na6 Si9 Na5 57.30(3) . .
N11 Si10 C59 114.35(15) . .
N11 Si10 C58 116.21(16) . .
C59 Si10 C58 105.4(2) . .
N11 Si10 C60 110.93(16) . .
C59 Si10 C60 104.28(19) . .
C58 Si10 C60 104.5(2) . .
N11 Si10 Na6 46.28(10) . .
C59 Si10 Na6 131.55(14) . .
C58 Si10 Na6 123.01(16) . .
C60 Si10 Na6 65.01(13) . .
N12 Si11 C61 111.31(15) . .
N12 Si11 C62 115.71(15) . .
C61 Si11 C62 105.60(18) . .
N12 Si11 C63 114.20(15) . .
C61 Si11 C63 105.03(17) . .
C62 Si11 C63 104.01(17) . .
N12 Si11 Na6 43.36(9) . .
C61 Si11 Na6 78.68(12) . .
C62 Si11 Na6 155.71(13) . .
C63 Si11 Na6 97.68(12) . .
N12 Si12 C64 110.82(14) . .
N12 Si12 C66 114.44(14) . .
C64 Si12 C66 105.73(17) . .
N12 Si12 C65 115.05(15) . .
C64 Si12 C65 106.25(16) . .
C66 Si12 C65 103.74(16) . .
N12 Si12 Na6 44.00(9) . .
C64 Si12 Na6 96.38(12) . .
C66 Si12 Na6 80.21(11) . .
C65 Si12 Na6 154.71(12) . .
N12 Si12 Na5 49.28(9) . .
C64 Si12 Na5 61.68(11) . .
C66 Si12 Na5 130.89(12) . .
C65 Si12 Na5 125.32(12) . .
Na6 Si12 Na5 56.88(3) . .
N15 Si13 C78 115.62(15) . .
N15 Si13 C79 114.50(14) . .
C78 Si13 C79 105.89(17) . .
N15 Si13 C77 110.69(15) . .
C78 Si13 C77 104.63(18) . .
C79 Si13 C77 104.47(17) . .
N15 Si13 Na8 47.52(9) . .
C78 Si13 Na8 152.23(13) . .
C79 Si13 Na8 101.72(12) . .
C77 Si13 Na8 70.66(12) . .
N15 Si14 C80 111.77(15) . .
N15 Si14 C81 114.39(14) . .
C80 Si14 C81 105.18(17) . .
N15 Si14 C82 114.95(14) . .
C80 Si14 C82 106.10(16) . .
C81 Si14 C82 103.53(16) . .
N15 Si14 Na7 47.57(9) . .
C80 Si14 Na7 64.21(11) . .
C81 Si14 Na7 128.09(12) . .
C82 Si14 Na7 128.38(11) . .
N15 Si14 Na8 39.76(9) . .
C80 Si14 Na8 101.99(12) . .
C81 Si14 Na8 81.45(11) . .
C82 Si14 Na8 148.87(12) . .
Na7 Si14 Na8 55.02(3) . .
N16 Si15 C85 111.05(16) . .
N16 Si15 C83 112.73(17) . .
C85 Si15 C83 105.4(2) . .
N16 Si15 C84 116.53(17) . .
C85 Si15 C84 104.90(19) . .
C83 Si15 C84 105.36(18) . .
N16 Si15 Na8 40.03(10) . .
C85 Si15 Na8 99.67(14) . .
C83 Si15 Na8 80.21(13) . .
C84 Si15 Na8 152.08(14) . .
N16 Si15 Na7 46.34(9) . .
C85 Si15 Na7 64.85(13) . .
C83 Si15 Na7 128.83(14) . .
C84 Si15 Na7 125.80(13) . .
Na8 Si15 Na7 54.99(3) . .
N16 Si16 C86 116.22(19) . .
N16 Si16 C88 111.25(16) . .
C86 Si16 C88 106.5(3) . .
N16 Si16 C87 113.38(18) . .
C86 Si16 C87 105.4(3) . .
C88 Si16 C87 103.0(2) . .
N16 Si16 Na8 48.69(10) . .
C86 Si16 Na8 155.9(2) . .
C88 Si16 Na8 70.51(13) . .
C87 Si16 Na8 98.50(19) . .
N19 Si17 C99 110.90(14) . .
N19 Si17 C101 114.62(14) . .
C99 Si17 C101 106.03(16) . .
N19 Si17 C100 115.70(14) . .
C99 Si17 C100 106.24(16) . .
C101 Si17 C100 102.45(16) . .
N19 Si17 Na10 43.00(9) . .
C99 Si17 Na10 98.79(11) . .
C101 Si17 Na10 80.11(11) . .
C100 Si17 Na10 152.84(12) . .
N19 Si17 Na9 49.98(9) . .
C99 Si17 Na9 60.93(11) . .
C101 Si17 Na9 129.03(12) . .
C100 Si17 Na9 128.42(11) . .
Na10 Si17 Na9 56.83(3) . .
N19 Si18 C104 110.63(15) . .
N19 Si18 C103 114.73(14) . .
C104 Si18 C103 105.04(17) . .
N19 Si18 C102 116.32(15) . .
C104 Si18 C102 104.68(18) . .
C103 Si18 C102 104.36(17) . .
N19 Si18 Na10 45.21(9) . .
C104 Si18 Na10 74.64(13) . .
C103 Si18 Na10 100.00(11) . .
C102 Si18 Na10 154.80(13) . .
N20 Si19 C105 113.96(15) . .
N20 Si19 C107 116.12(15) . .
C105 Si19 C107 105.90(19) . .
N20 Si19 C106 111.07(15) . .
C105 Si19 C106 104.56(17) . .
C107 Si19 C106 104.14(19) . .
N20 Si19 Na10 46.53(10) . .
C105 Si19 Na10 131.70(13) . .
C107 Si19 Na10 122.39(15) . .
C106 Si19 Na10 64.94(12) . .
N20 Si20 C109 110.40(16) . .
N20 Si20 C110 112.47(17) . .
C109 Si20 C110 105.7(2) . .
N20 Si20 C108 117.04(16) . .
C109 Si20 C108 104.49(18) . .
C110 Si20 C108 105.88(19) . .
N20 Si20 Na10 43.42(10) . .
C109 Si20 Na10 97.77(13) . .
C110 Si20 Na10 77.25(14) . .
C108 Si20 Na10 155.50(13) . .
N20 Si20 Na9 44.19(9) . .
C109 Si20 Na9 66.53(13) . .
C110 Si20 Na9 130.03(14) . .
C108 Si20 Na9 124.03(14) . .
Na10 Si20 Na9 56.71(3) . .
N23 Si21 C121 114.25(14) . .
N23 Si21 C122 116.22(15) . .
C121 Si21 C122 105.97(18) . .
N23 Si21 C123 110.98(16) . .
C121 Si21 C123 103.54(18) . .
C122 Si21 C123 104.70(19) . .
N23 Si21 Na12 46.78(10) . .
C121 Si21 Na12 128.94(12) . .
C122 Si21 Na12 125.06(14) . .
C123 Si21 Na12 64.37(12) . .
N23 Si22 C125 118.33(16) . .
N23 Si22 C124 110.01(16) . .
C125 Si22 C124 103.71(18) . .
N23 Si22 C126 112.38(16) . .
C125 Si22 C126 104.84(19) . .
C124 Si22 C126 106.66(19) . .
N23 Si22 Na12 45.02(10) . .
C125 Si22 Na12 157.20(12) . .
C124 Si22 Na12 97.77(13) . .
C126 Si22 Na12 75.71(13) . .
N23 Si22 Na11 44.75(9) . .
C125 Si22 Na11 126.78(14) . .
C124 Si22 Na11 65.35(13) . .
C126 Si22 Na11 128.37(14) . .
Na12 Si22 Na11 56.73(3) . .
N24 Si23 C128 110.89(15) . .
N24 Si23 C129 114.26(14) . .
C128 Si23 C129 105.92(16) . .
N24 Si23 C127 115.68(14) . .
C128 Si23 C127 106.36(16) . .
C129 Si23 C127 102.87(16) . .
N24 Si23 Na12 43.03(9) . .
C128 Si23 Na12 99.72(12) . .
C129 Si23 Na12 79.01(11) . .
C127 Si23 Na12 152.03(11) . .
N24 Si23 Na11 47.88(9) . .
C128 Si23 Na11 63.02(11) . .
C129 Si23 Na11 128.22(12) . .
C127 Si23 Na11 128.90(11) . .
Na12 Si23 Na11 56.26(3) . .
N24 Si24 C132 116.33(14) . .
N24 Si24 C131 114.07(14) . .
C132 Si24 C131 104.39(16) . .
N24 Si24 C130 111.56(15) . .
C132 Si24 C130 104.52(17) . .
C131 Si24 C130 104.86(17) . .
N24 Si24 Na12 44.85(9) . .
C132 Si24 Na12 155.89(12) . .
C131 Si24 Na12 98.39(11) . .
C130 Si24 Na12 76.62(12) . .
C8 N1 C7 108.6(3) . .
C8 N1 C1 111.3(3) . .
C7 N1 C1 113.1(3) . .
C8 N1 Na1 110.7(2) . .
C7 N1 Na1 99.28(19) . .
C1 N1 Na1 113.1(2) . .
C10 N2 C9 107.9(3) . .
C10 N2 C6 114.1(3) . .
C9 N2 C6 111.5(3) . .
C10 N2 Na1 101.5(2) . .
C9 N2 Na1 107.0(2) . .
C6 N2 Na1 114.1(2) . .
Si1 N3 Si2 122.33(16) . .
Si1 N3 Na2 110.94(13) . .
Si2 N3 Na2 102.26(12) . .
Si1 N3 Na1 103.11(12) . .
Si2 N3 Na1 128.96(14) . .
Na2 N3 Na1 79.46(9) . .
Si4 N4 Si3 122.07(15) . .
Si4 N4 Na2 107.97(13) . .
Si3 N4 Na2 102.22(12) . .
Si4 N4 Na1 102.88(11) . .
Si3 N4 Na1 130.90(13) . .
Na2 N4 Na1 79.41(8) . .
C31 N5 C32 108.5(3) . .
C31 N5 C28 111.5(3) . .
C32 N5 C28 113.4(3) . .
C31 N5 Na3 110.7(2) . .
C32 N5 Na3 98.8(2) . .
C28 N5 Na3 113.2(2) . .
C30 N6 C29 108.5(3) . .
C30 N6 C23 112.0(3) . .
C29 N6 C23 113.5(3) . .
C30 N6 Na3 107.6(2) . .
C29 N6 Na3 99.5(2) . .
C23 N6 Na3 114.9(2) . .
Si5 N7 Si6 121.67(15) . .
Si5 N7 Na4 111.13(13) . .
Si6 N7 Na4 101.14(12) . .
Si5 N7 Na3 104.39(12) . .
Si6 N7 Na3 129.58(13) . .
Na4 N7 Na3 78.09(9) . .
Si8 N8 Si7 122.59(16) . .
Si8 N8 Na4 113.80(13) . .
Si7 N8 Na4 101.48(12) . .
Si8 N8 Na3 105.16(12) . .
Si7 N8 Na3 125.82(13) . .
Na4 N8 Na3 78.66(9) . .
C52 N9 C51 109.9(4) . .
C52 N9 C45 113.1(3) . .
C51 N9 C45 110.4(3) . .
C52 N9 Na5 93.0(2) . .
C51 N9 Na5 113.9(3) . .
C45 N9 Na5 115.4(2) . .
C54 N10 C53 109.7(3) . .
C54 N10 C50 113.1(3) . .
C53 N10 C50 111.3(3) . .
C54 N10 Na5 96.4(2) . .
C53 N10 Na5 108.5(2) . .
C50 N10 Na5 116.7(2) . .
Si9 N11 Si10 125.30(16) . .
Si9 N11 Na6 104.05(13) . .
Si10 N11 Na6 102.70(12) . .
Si9 N11 Na5 104.36(12) . .
Si10 N11 Na5 126.61(14) . .
Na6 N11 Na5 80.55(9) . .
Si12 N12 Si11 122.53(16) . .
Si12 N12 Na6 106.28(12) . .
Si11 N12 Na6 106.95(12) . .
Si12 N12 Na5 101.45(12) . .
Si11 N12 Na5 130.08(13) . .
Na6 N12 Na5 78.85(9) . .
C73 N13 C74 108.4(3) . .
C73 N13 C67 113.8(3) . .
C74 N13 C67 111.4(3) . .
C73 N13 Na7 94.3(2) . .
C74 N13 Na7 112.3(2) . .
C67 N13 Na7 115.4(2) . .
C76 N14 C75 108.6(3) . .
C76 N14 C72 114.6(3) . .
C75 N14 C72 111.1(3) . .
C76 N14 Na7 95.6(2) . .
C75 N14 Na7 110.8(2) . .
C72 N14 Na7 115.1(2) . .
Si14 N15 Si13 123.43(16) . .
Si14 N15 Na8 112.78(13) . .
Si13 N15 Na8 100.28(12) . .
Si14 N15 Na7 103.27(12) . .
Si13 N15 Na7 128.01(13) . .
Na8 N15 Na7 78.89(9) . .
Si15 N16 Si16 122.54(16) . .
Si15 N16 Na8 112.54(15) . .
Si16 N16 Na8 98.60(12) . .
Si15 N16 Na7 104.88(12) . .
Si16 N16 Na7 128.26(14) . .
Na8 N16 Na7 79.34(9) . .
C96 N17 C95 109.5(3) . .
C96 N17 C89 113.4(3) . .
C95 N17 C89 111.1(3) . .
C96 N17 Na9 99.4(2) . .
C95 N17 Na9 109.9(2) . .
C89 N17 Na9 113.0(2) . .
C98 N18 C97 108.7(3) . .
C98 N18 C90 111.5(3) . .
C97 N18 C90 113.1(3) . .
C98 N18 Na9 112.9(2) . .
C97 N18 Na9 88.84(19) . .
C90 N18 Na9 119.5(2) . .
Si17 N19 Si18 123.43(16) . .
Si17 N19 Na10 107.78(12) . .
Si18 N19 Na10 104.22(12) . .
Si17 N19 Na9 100.59(12) . .
Si18 N19 Na9 130.86(13) . .
Na10 N19 Na9 78.82(8) . .
Si20 N20 Si19 124.01(16) . .
Si20 N20 Na10 107.37(14) . .
Si19 N20 Na10 102.19(12) . .
Si20 N20 Na9 107.58(12) . .
Si19 N20 Na9 123.10(14) . .
Na10 N20 Na9 81.76(9) . .
C117 N21 C118 109.8(3) . .
C117 N21 C111 113.3(3) . .
C118 N21 C111 111.4(3) . .
C117 N21 Na11 98.1(2) . .
C118 N21 Na11 109.4(2) . .
C111 N21 Na11 114.04(19) . .
C120 N22 C119 108.7(3) . .
C120 N22 C116 112.6(3) . .
C119 N22 C116 111.2(3) . .
C120 N22 Na11 90.63(18) . .
C119 N22 Na11 112.7(2) . .
C116 N22 Na11 119.07(19) . .
Si22 N23 Si21 125.64(16) . .
Si22 N23 Na12 104.85(13) . .
Si21 N23 Na12 101.84(12) . .
Si22 N23 Na11 107.09(12) . .
Si21 N23 Na11 123.48(13) . .
Na12 N23 Na11 80.70(9) . .
Si23 N24 Si24 122.44(16) . .
Si23 N24 Na12 107.78(12) . .
Si24 N24 Na12 104.65(12) . .
Si23 N24 Na11 103.46(12) . .
Si24 N24 Na11 128.74(13) . .
Na12 N24 Na11 79.03(8) . .
N1 C1 C6 111.6(3) . .
N1 C1 C2 114.0(3) . .
C6 C1 C2 110.7(3) . .
N1 C1 H1 106.7 . .
C6 C1 H1 106.7 . .
C2 C1 H1 106.7 . .
C3 C2 C1 111.9(3) . .
C3 C2 H2A 109.2 . .
C1 C2 H2A 109.2 . .
C3 C2 H2B 109.2 . .
C1 C2 H2B 109.2 . .
H2A C2 H2B 107.9 . .
C4 C3 C2 110.2(3) . .
C4 C3 H3A 109.6 . .
C2 C3 H3A 109.6 . .
C4 C3 H3B 109.6 . .
C2 C3 H3B 109.6 . .
H3A C3 H3B 108.1 . .
C3 C4 C5 109.9(3) . .
C3 C4 H4A 109.7 . .
C5 C4 H4A 109.7 . .
C3 C4 H4B 109.7 . .
C5 C4 H4B 109.7 . .
H4A C4 H4B 108.2 . .
C4 C5 C6 112.2(3) . .
C4 C5 H5A 109.2 . .
C6 C5 H5A 109.2 . .
C4 C5 H5B 109.2 . .
C6 C5 H5B 109.2 . .
H5A C5 H5B 107.9 . .
N2 C6 C1 111.6(3) . .
N2 C6 C5 113.5(3) . .
C1 C6 C5 111.2(3) . .
N2 C6 H6 106.7 . .
C1 C6 H6 106.7 . .
C5 C6 H6 106.7 . .
N1 C7 H7A 109.5 . .
N1 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
N1 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
N1 C8 H8A 109.5 . .
N1 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
N1 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
N2 C9 H9A 109.5 . .
N2 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
N2 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
N2 C10 H10A 109.5 . .
N2 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
N2 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
Si1 C11 Na4 178.02(19) . .
Si1 C11 H14X 109.5 . .
Na4 C11 H14X 68.6 . .
Si1 C11 H14Y 109.5 . .
Na4 C11 H14Y 71.3 . .
H14X C11 H14Y 109.5 . .
Si1 C11 H14Z 109.5 . .
Na4 C11 H14Z 71.7 . .
H14X C11 H14Z 109.5 . .
H14Y C11 H14Z 109.5 . .
Si1 C12 Na1 82.05(11) . .
Si1 C12 H12A 109.5 . .
Na1 C12 H12A 64.6 . .
Si1 C12 H12B 109.5 . .
Na1 C12 H12B 168.5 . .
H12A C12 H12B 109.5 . .
Si1 C12 H12C 109.5 . .
Na1 C12 H12C 65.7 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
Si1 C13 H13A 109.5 . .
Si1 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
Si1 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
Si2 C14 H14A 109.5 . .
Si2 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
Si2 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
Si2 C15 H15A 109.5 . .
Si2 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
Si2 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
Si2 C16 H16A 109.5 . .
Si2 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
Si2 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
Si3 C17 H17A 109.5 . .
Si3 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
Si3 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
Si3 C18 H18A 109.5 . .
Si3 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
Si3 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
Si3 C19 H19A 109.5 . .
Si3 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
Si3 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
Si4 C20 H20A 109.5 . .
Si4 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
Si4 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
Si4 C21 H21A 109.5 . .
Si4 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
Si4 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
Si4 C22 Na1 82.96(12) . .
Si4 C22 H22A 109.5 . .
Na1 C22 H22A 166.5 . .
Si4 C22 H22B 109.5 . .
Na1 C22 H22B 59.9 . .
H22A C22 H22B 109.5 . .
Si4 C22 H22C 109.5 . .
Na1 C22 H22C 69.7 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
N6 C23 C28 111.6(3) . .
N6 C23 C24 113.9(3) . .
C28 C23 C24 110.3(3) . .
N6 C23 H23 106.9 . .
C28 C23 H23 106.9 . .
C24 C23 H23 106.9 . .
C25 C24 C23 112.1(4) . .
C25 C24 H24A 109.2 . .
C23 C24 H24A 109.2 . .
C25 C24 H24B 109.2 . .
C23 C24 H24B 109.2 . .
H24A C24 H24B 107.9 . .
C26 C25 C24 110.1(4) . .
C26 C25 H25A 109.6 . .
C24 C25 H25A 109.6 . .
C26 C25 H25B 109.6 . .
C24 C25 H25B 109.6 . .
H25A C25 H25B 108.2 . .
C25 C26 C27 110.3(4) . .
C25 C26 H26A 109.6 . .
C27 C26 H26A 109.6 . .
C25 C26 H26B 109.6 . .
C27 C26 H26B 109.6 . .
H26A C26 H26B 108.1 . .
C26 C27 C28 112.0(3) . .
C26 C27 H27A 109.2 . .
C28 C27 H27A 109.2 . .
C26 C27 H27B 109.2 . .
C28 C27 H27B 109.2 . .
H27A C27 H27B 107.9 . .
N5 C28 C23 111.9(3) . .
N5 C28 C27 113.6(3) . .
C23 C28 C27 110.3(3) . .
N5 C28 H28 106.9 . .
C23 C28 H28 106.9 . .
C27 C28 H28 106.9 . .
N6 C29 Na3 52.88(17) . .
N6 C29 H29A 109.5 . .
Na3 C29 H29A 71.0 . .
N6 C29 H29B 109.5 . .
Na3 C29 H29B 89.9 . .
H29A C29 H29B 109.5 . .
N6 C29 H29C 109.5 . .
Na3 C29 H29C 158.3 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
N6 C30 H30A 109.5 . .
N6 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
N6 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
N5 C31 H31A 109.5 . .
N5 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
N5 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
N5 C32 H32A 109.5 . .
N5 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
N5 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
Si5 C33 Na3 82.50(12) . .
Si5 C33 H33A 109.5 . .
Na3 C33 H33A 59.5 . .
Si5 C33 H33B 109.5 . .
Na3 C33 H33B 70.5 . .
H33A C33 H33B 109.5 . .
Si5 C33 H33C 109.5 . .
Na3 C33 H33C 166.6 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
Si5 C34 H34A 109.5 . .
Si5 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
Si5 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
Si5 C35 H35A 109.5 . .
Si5 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
Si5 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
Si6 C36 H36A 109.5 . .
Si6 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
Si6 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
Si6 C37 H37A 109.5 . .
Si6 C37 H37B 109.5 . .
H37A C37 H37B 109.5 . .
Si6 C37 H37C 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
Si6 C38 H38A 109.5 . .
Si6 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
Si6 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
Si7 C39 Na4 73.75(11) . .
Si7 C39 H39A 109.5 . .
Na4 C39 H39A 161.5 . .
Si7 C39 H39B 109.5 . .
Na4 C39 H39B 85.6 . .
H39A C39 H39B 109.5 . .
Si7 C39 H39C 109.5 . .
Na4 C39 H39C 53.7 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
Si7 C40 H40A 109.5 . .
Si7 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
Si7 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
Si7 C41 H41A 109.5 . .
Si7 C41 H41B 109.5 . .
H41A C41 H41B 109.5 . .
Si7 C41 H41C 109.5 . .
H41A C41 H41C 109.5 . .
H41B C41 H41C 109.5 . .
Si8 C42 H42A 109.5 . .
Si8 C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
Si8 C42 H42C 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
Si8 C43 Na6 177.00(18) . 2_646
Si8 C43 H43A 109.5 . .
Na6 C43 H43A 73.2 2_646 .
Si8 C43 H43B 109.5 . .
Na6 C43 H43B 70.4 2_646 .
H43A C43 H43B 109.5 . .
Si8 C43 H43C 109.5 . .
Na6 C43 H43C 68.0 2_646 .
H43A C43 H43C 109.5 . .
H43B C43 H43C 109.5 . .
Si8 C44 H44A 109.5 . .
Si8 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
Si8 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
N9 C45 C50 111.9(3) . .
N9 C45 C46 114.2(3) . .
C50 C45 C46 110.0(3) . .
N9 C45 H45 106.8 . .
C50 C45 H45 106.8 . .
C46 C45 H45 106.8 . .
C47 C46 C45 110.8(3) . .
C47 C46 H46A 109.5 . .
C45 C46 H46A 109.5 . .
C47 C46 H46B 109.5 . .
C45 C46 H46B 109.5 . .
H46A C46 H46B 108.1 . .
C48 C47 C46 111.1(4) . .
C48 C47 H47A 109.4 . .
C46 C47 H47A 109.4 . .
C48 C47 H47B 109.4 . .
C46 C47 H47B 109.4 . .
H47A C47 H47B 108.0 . .
C47 C48 C49 111.6(4) . .
C47 C48 H48A 109.3 . .
C49 C48 H48A 109.3 . .
C47 C48 H48B 109.3 . .
C49 C48 H48B 109.3 . .
H48A C48 H48B 108.0 . .
C48 C49 C50 112.0(3) . .
C48 C49 H49A 109.2 . .
C50 C49 H49A 109.2 . .
C48 C49 H49B 109.2 . .
C50 C49 H49B 109.2 . .
H49A C49 H49B 107.9 . .
N10 C50 C45 112.5(3) . .
N10 C50 C49 114.5(3) . .
C45 C50 C49 109.0(3) . .
N10 C50 H50 106.8 . .
C45 C50 H50 106.8 . .
C49 C50 H50 106.8 . .
N9 C51 H51A 109.5 . .
N9 C51 H51B 109.5 . .
H51A C51 H51B 109.5 . .
N9 C51 H51C 109.5 . .
H51A C51 H51C 109.5 . .
H51B C51 H51C 109.5 . .
N9 C52 Na5 59.08(19) . .
N9 C52 H52A 109.5 . .
Na5 C52 H52A 70.0 . .
N9 C52 H52B 109.5 . .
Na5 C52 H52B 83.5 . .
H52A C52 H52B 109.5 . .
N9 C52 H52C 109.5 . .
Na5 C52 H52C 165.7 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
N10 C53 H53A 109.5 . .
N10 C53 H53B 109.5 . .
H53A C53 H53B 109.5 . .
N10 C53 H53C 109.5 . .
H53A C53 H53C 109.5 . .
H53B C53 H53C 109.5 . .
N10 C54 Na5 55.30(16) . .
N10 C54 H54A 109.5 . .
Na5 C54 H54A 76.2 . .
N10 C54 H54B 109.5 . .
Na5 C54 H54B 81.1 . .
H54A C54 H54B 109.5 . .
N10 C54 H54C 109.5 . .
Na5 C54 H54C 164.4 . .
H54A C54 H54C 109.5 . .
H54B C54 H54C 109.5 . .
Si9 C55 H55A 109.5 . .
Si9 C55 H55B 109.5 . .
H55A C55 H55B 109.5 . .
Si9 C55 H55C 109.5 . .
H55A C55 H55C 109.5 . .
H55B C55 H55C 109.5 . .
Si9 C56 Na5 82.02(13) . .
Si9 C56 H56A 109.5 . .
Na5 C56 H56A 63.8 . .
Si9 C56 H56B 109.5 . .
Na5 C56 H56B 66.4 . .
H56A C56 H56B 109.5 . .
Si9 C56 H56C 109.5 . .
Na5 C56 H56C 168.4 . .
H56A C56 H56C 109.5 . .
H56B C56 H56C 109.5 . .
Si9 C57 H57A 109.5 . .
Si9 C57 H57B 109.5 . .
H57A C57 H57B 109.5 . .
Si9 C57 H57C 109.5 . .
H57A C57 H57C 109.5 . .
H57B C57 H57C 109.5 . .
Si10 C58 H58A 109.5 . .
Si10 C58 H58B 109.5 . .
H58A C58 H58B 109.5 . .
Si10 C58 H58C 109.5 . .
H58A C58 H58C 109.5 . .
H58B C58 H58C 109.5 . .
Si10 C59 H59A 109.5 . .
Si10 C59 H59B 109.5 . .
H59A C59 H59B 109.5 . .
Si10 C59 H59C 109.5 . .
H59A C59 H59C 109.5 . .
H59B C59 H59C 109.5 . .
Si10 C60 Na6 79.56(12) . .
Si10 C60 H60A 109.5 . .
Na6 C60 H60A 71.0 . .
Si10 C60 H60B 109.5 . .
Na6 C60 H60B 61.5 . .
H60A C60 H60B 109.5 . .
Si10 C60 H60C 109.5 . .
Na6 C60 H60C 169.6 . .
H60A C60 H60C 109.5 . .
H60B C60 H60C 109.5 . .
Si11 C61 H61A 109.5 . .
Si11 C61 H61B 109.5 . .
H61A C61 H61B 109.5 . .
Si11 C61 H61C 109.5 . .
H61A C61 H61C 109.5 . .
H61B C61 H61C 109.5 . .
Si11 C62 H62A 109.5 . .
Si11 C62 H62B 109.5 . .
H62A C62 H62B 109.5 . .
Si11 C62 H62C 109.5 . .
H62A C62 H62C 109.5 . .
H62B C62 H62C 109.5 . .
Si11 C63 H63A 109.5 . .
Si11 C63 H63B 109.5 . .
H63A C63 H63B 109.5 . .
Si11 C63 H63C 109.5 . .
H63A C63 H63C 109.5 . .
H63B C63 H63C 109.5 . .
Si12 C64 Na5 84.60(11) . .
Si12 C64 H64A 109.5 . .
Na5 C64 H64A 165.7 . .
Si12 C64 H64B 109.5 . .
Na5 C64 H64B 61.5 . .
H64A C64 H64B 109.5 . .
Si12 C64 H64C 109.5 . .
Na5 C64 H64C 66.6 . .
H64A C64 H64C 109.5 . .
H64B C64 H64C 109.5 . .
Si12 C65 Na2 174.94(19) . .
Si12 C65 H65A 109.5 . .
Na2 C65 H65A 75.2 . .
Si12 C65 H65B 109.5 . .
Na2 C65 H65B 70.1 . .
H65A C65 H65B 109.5 . .
Si12 C65 H65C 109.5 . .
Na2 C65 H65C 66.5 . .
H65A C65 H65C 109.5 . .
H65B C65 H65C 109.5 . .
Si12 C66 H66A 109.5 . .
Si12 C66 H66B 109.5 . .
H66A C66 H66B 109.5 . .
Si12 C66 H66C 109.5 . .
H66A C66 H66C 109.5 . .
H66B C66 H66C 109.5 . .
N13 C67 C72 111.7(3) . .
N13 C67 C68 114.3(3) . .
C72 C67 C68 110.0(3) . .
N13 C67 H67 106.8 . .
C72 C67 H67 106.8 . .
C68 C67 H67 106.8 . .
C69 C68 C67 112.4(4) . .
C69 C68 H68A 109.1 . .
C67 C68 H68A 109.1 . .
C69 C68 H68B 109.1 . .
C67 C68 H68B 109.1 . .
H68A C68 H68B 107.8 . .
C70 C69 C68 110.5(4) . .
C70 C69 H69A 109.5 . .
C68 C69 H69A 109.5 . .
C70 C69 H69B 109.5 . .
C68 C69 H69B 109.5 . .
H69A C69 H69B 108.1 . .
C69 C70 C71 109.6(4) . .
C69 C70 H70A 109.7 . .
C71 C70 H70A 109.7 . .
C69 C70 H70B 109.7 . .
C71 C70 H70B 109.7 . .
H70A C70 H70B 108.2 . .
C70 C71 C72 111.3(4) . .
C70 C71 H71A 109.4 . .
C72 C71 H71A 109.4 . .
C70 C71 H71B 109.4 . .
C72 C71 H71B 109.4 . .
H71A C71 H71B 108.0 . .
N14 C72 C67 112.3(3) . .
N14 C72 C71 113.9(3) . .
C67 C72 C71 110.6(3) . .
N14 C72 H72 106.5 . .
C67 C72 H72 106.5 . .
C71 C72 H72 106.5 . .
N13 C73 Na7 57.47(17) . .
N13 C73 H73A 109.5 . .
Na7 C73 H73A 165.1 . .
N13 C73 H73B 109.5 . .
Na7 C73 H73B 72.0 . .
H73A C73 H73B 109.5 . .
N13 C73 H73C 109.5 . .
Na7 C73 H73C 83.1 . .
H73A C73 H73C 109.5 . .
H73B C73 H73C 109.5 . .
N13 C74 H74A 109.5 . .
N13 C74 H74B 109.5 . .
H74A C74 H74B 109.5 . .
N13 C74 H74C 109.5 . .
H74A C74 H74C 109.5 . .
H74B C74 H74C 109.5 . .
N14 C75 H75A 109.5 . .
N14 C75 H75B 109.5 . .
H75A C75 H75B 109.5 . .
N14 C75 H75C 109.5 . .
H75A C75 H75C 109.5 . .
H75B C75 H75C 109.5 . .
N14 C76 Na7 56.32(19) . .
N14 C76 H76A 109.5 . .
Na7 C76 H76A 163.4 . .
N14 C76 H76B 109.5 . .
Na7 C76 H76B 71.6 . .
H76A C76 H76B 109.5 . .
N14 C76 H76C 109.5 . .
Na7 C76 H76C 85.0 . .
H76A C76 H76C 109.5 . .
H76B C76 H76C 109.5 . .
Si13 C77 Na8 73.85(11) . .
Si13 C77 H77A 109.5 . .
Na8 C77 H77A 89.0 . .
Si13 C77 H77B 109.5 . .
Na8 C77 H77B 157.9 . .
H77A C77 H77B 109.5 . .
Si13 C77 H77C 109.5 . .
Na8 C77 H77C 50.9 . .
H77A C77 H77C 109.5 . .
H77B C77 H77C 109.5 . .
Si13 C78 H78A 109.5 . .
Si13 C78 H78B 109.5 . .
H78A C78 H78B 109.5 . .
Si13 C78 H78C 109.5 . .
H78A C78 H78C 109.5 . .
H78B C78 H78C 109.5 . .
Si13 C79 H79A 109.5 . .
Si13 C79 H79B 109.5 . .
H79A C79 H79B 109.5 . .
Si13 C79 H79C 109.5 . .
H79A C79 H79C 109.5 . .
H79B C79 H79C 109.5 . .
Si14 C80 Na7 82.27(12) . .
Si14 C80 H80A 109.5 . .
Na7 C80 H80A 62.6 . .
Si14 C80 H80B 109.5 . .
Na7 C80 H80B 168.0 . .
H80A C80 H80B 109.5 . .
Si14 C80 H80C 109.5 . .
Na7 C80 H80C 67.5 . .
H80A C80 H80C 109.5 . .
H80B C80 H80C 109.5 . .
Si14 C81 H81A 109.5 . .
Si14 C81 H81B 109.5 . .
H81A C81 H81B 109.5 . .
Si14 C81 H81C 109.5 . .
H81A C81 H81C 109.5 . .
H81B C81 H81C 109.5 . .
Si14 C82 Na12 175.15(18) . .
Si14 C82 H82A 109.5 . .
Na12 C82 H82A 72.6 . .
Si14 C82 H82B 109.5 . .
Na12 C82 H82B 73.4 . .
H82A C82 H82B 109.5 . .
Si14 C82 H82C 109.5 . .
Na12 C82 H82C 65.7 . .
H82A C82 H82C 109.5 . .
H82B C82 H82C 109.5 . .
Si15 C83 H83A 109.5 . .
Si15 C83 H83B 109.5 . .
H83A C83 H83B 109.5 . .
Si15 C83 H83C 109.5 . .
H83A C83 H83C 109.5 . .
H83B C83 H83C 109.5 . .
Si15 C84 H84A 109.5 . .
Si15 C84 H84B 109.5 . .
H84A C84 H84B 109.5 . .
Si15 C84 H84C 109.5 . .
H84A C84 H84C 109.5 . .
H84B C84 H84C 109.5 . .
Si15 C85 Na7 81.59(13) . .
Si15 C85 H85A 109.5 . .
Na7 C85 H85A 69.7 . .
Si15 C85 H85B 109.5 . .
Na7 C85 H85B 61.0 . .
H85A C85 H85B 109.5 . .
Si15 C85 H85C 109.5 . .
Na7 C85 H85C 168.0 . .
H85A C85 H85C 109.5 . .
H85B C85 H85C 109.5 . .
Si16 C86 H86A 109.5 . .
Si16 C86 H86B 109.5 . .
H86A C86 H86B 109.5 . .
Si16 C86 H86C 109.5 . .
H86A C86 H86C 109.5 . .
H86B C86 H86C 109.5 . .
Si16 C87 H87A 109.5 . .
Si16 C87 H87B 109.5 . .
H87A C87 H87B 109.5 . .
Si16 C87 H87C 109.5 . .
H87A C87 H87C 109.5 . .
H87B C87 H87C 109.5 . .
Si16 C88 Na8 73.85(12) . .
Si16 C88 H88A 109.5 . .
Na8 C88 H88A 162.1 . .
Si16 C88 H88B 109.5 . .
Na8 C88 H88B 54.2 . .
H88A C88 H88B 109.5 . .
Si16 C88 H88C 109.5 . .
Na8 C88 H88C 84.9 . .
H88A C88 H88C 109.5 . .
H88B C88 H88C 109.5 . .
N17 C89 C90 111.5(3) . .
N17 C89 C94 115.2(3) . .
C90 C89 C94 110.3(3) . .
N17 C89 H89 106.4 . .
C90 C89 H89 106.4 . .
C94 C89 H89 106.4 . .
N18 C90 C89 112.2(3) . .
N18 C90 C91 114.3(3) . .
C89 C90 C91 110.1(3) . .
N18 C90 H90 106.6 . .
C89 C90 H90 106.6 . .
C91 C90 H90 106.6 . .
C92 C91 C90 111.9(3) . .
C92 C91 H91A 109.2 . .
C90 C91 H91A 109.2 . .
C92 C91 H91B 109.2 . .
C90 C91 H91B 109.2 . .
H91A C91 H91B 107.9 . .
C91 C92 C93 110.0(3) . .
C91 C92 H92A 109.7 . .
C93 C92 H92A 109.7 . .
C91 C92 H92B 109.7 . .
C93 C92 H92B 109.7 . .
H92A C92 H92B 108.2 . .
C92 C93 C94 110.8(3) . .
C92 C93 H93A 109.5 . .
C94 C93 H93A 109.5 . .
C92 C93 H93B 109.5 . .
C94 C93 H93B 109.5 . .
H93A C93 H93B 108.1 . .
C93 C94 C89 111.6(3) . .
C93 C94 H94A 109.3 . .
C89 C94 H94A 109.3 . .
C93 C94 H94B 109.3 . .
C89 C94 H94B 109.3 . .
H94A C94 H94B 108.0 . .
N17 C95 H95A 109.5 . .
N17 C95 H95B 109.5 . .
H95A C95 H95B 109.5 . .
N17 C95 H95C 109.5 . .
H95A C95 H95C 109.5 . .
H95B C95 H95C 109.5 . .
N17 C96 H96A 109.5 . .
N17 C96 H96B 109.5 . .
H96A C96 H96B 109.5 . .
N17 C96 H96C 109.5 . .
H96A C96 H96C 109.5 . .
H96B C96 H96C 109.5 . .
N18 C97 Na9 61.11(16) . .
N18 C97 H97A 109.5 . .
Na9 C97 H97A 66.0 . .
N18 C97 H97B 109.5 . .
Na9 C97 H97B 85.8 . .
H97A C97 H97B 109.5 . .
N18 C97 H97C 109.5 . .
Na9 C97 H97C 164.5 . .
H97A C97 H97C 109.5 . .
H97B C97 H97C 109.5 . .
N18 C98 H98A 109.5 . .
N18 C98 H98B 109.5 . .
H98A C98 H98B 109.5 . .
N18 C98 H98C 109.5 . .
H98A C98 H98C 109.5 . .
H98B C98 H98C 109.5 . .
Si17 C99 Na9 85.44(11) . .
Si17 C99 H99A 109.5 . .
Na9 C99 H99A 164.5 . .
Si17 C99 H99B 109.5 . .
Na9 C99 H99B 67.6 . .
H99A C99 H99B 109.5 . .
Si17 C99 H99C 109.5 . .
Na9 C99 H99C 59.8 . .
H99A C99 H99C 109.5 . .
H99B C99 H99C 109.5 . .
Si17 C100 Na8 174.51(19) . .
Si17 C100 H10D 109.5 . .
Na8 C100 H10D 67.0 . .
Si17 C100 H10E 109.5 . .
Na8 C100 H10E 75.9 . .
H10D C100 H10E 109.5 . .
Si17 C100 H10F 109.5 . .
Na8 C100 H10F 68.8 . .
H10D C100 H10F 109.5 . .
H10E C100 H10F 109.5 . .
Si17 C101 H10G 109.5 . .
Si17 C101 H10H 109.5 . .
H10G C101 H10H 109.5 . .
Si17 C101 H10I 109.5 . .
H10G C101 H10I 109.5 . .
H10H C101 H10I 109.5 . .
Si18 C102 H10J 109.5 . .
Si18 C102 H10K 109.5 . .
H10J C102 H10K 109.5 . .
Si18 C102 H10L 109.5 . .
H10J C102 H10L 109.5 . .
H10K C102 H10L 109.5 . .
Si18 C103 H10M 109.5 . .
Si18 C103 H10N 109.5 . .
H10M C103 H10N 109.5 . .
Si18 C103 H10O 109.5 . .
H10M C103 H10O 109.5 . .
H10N C103 H10O 109.5 . .
Si18 C104 H10P 109.5 . .
Si18 C104 H10Q 109.5 . .
H10P C104 H10Q 109.5 . .
Si18 C104 H10R 109.5 . .
H10P C104 H10R 109.5 . .
H10Q C104 H10R 109.5 . .
Si19 C105 H10S 109.5 . .
Si19 C105 H10T 109.5 . .
H10S C105 H10T 109.5 . .
Si19 C105 H10U 109.5 . .
H10S C105 H10U 109.5 . .
H10T C105 H10U 109.5 . .
Si19 C106 Na10 79.60(12) . .
Si19 C106 H10V 109.5 . .
Na10 C106 H10V 71.2 . .
Si19 C106 H10W 109.5 . .
Na10 C106 H10W 169.4 . .
H10V C106 H10W 109.5 . .
Si19 C106 H10X 109.5 . .
Na10 C106 H10X 61.3 . .
H10V C106 H10X 109.5 . .
H10W C106 H10X 109.5 . .
Si19 C107 H10Y 109.5 . .
Si19 C107 H10Z 109.5 . .
H10Y C107 H10Z 109.5 . .
Si19 C107 H110 109.5 . .
H10Y C107 H110 109.5 . .
H10Z C107 H110 109.5 . .
Si20 C108 H111 109.5 . .
Si20 C108 H112 109.5 . .
H111 C108 H112 109.5 . .
Si20 C108 H113 109.5 . .
H111 C108 H113 109.5 . .
H112 C108 H113 109.5 . .
Si20 C109 H114 109.5 . .
Si20 C109 H115 109.5 . .
H114 C109 H115 109.5 . .
Si20 C109 H116 109.5 . .
H114 C109 H116 109.5 . .
H115 C109 H116 109.5 . .
Si20 C110 H11A 109.5 . .
Si20 C110 H11B 109.5 . .
H11A C110 H11B 109.5 . .
Si20 C110 H11C 109.5 . .
H11A C110 H11C 109.5 . .
H11B C110 H11C 109.5 . .
N21 C111 C116 111.7(3) . .
N21 C111 C112 115.0(3) . .
C116 C111 C112 109.7(3) . .
N21 C111 H11D 106.6 . .
C116 C111 H11D 106.6 . .
C112 C111 H11D 106.6 . .
C113 C112 C111 111.6(3) . .
C113 C112 H11E 109.3 . .
C111 C112 H11E 109.3 . .
C113 C112 H11F 109.3 . .
C111 C112 H11F 109.3 . .
H11E C112 H11F 108.0 . .
C114 C113 C112 110.7(3) . .
C114 C113 H11G 109.5 . .
C112 C113 H11G 109.5 . .
C114 C113 H11H 109.5 . .
C112 C113 H11H 109.5 . .
H11G C113 H11H 108.1 . .
C113 C114 C115 110.4(3) . .
C113 C114 H11I 109.6 . .
C115 C114 H11I 109.6 . .
C113 C114 H11J 109.6 . .
C115 C114 H11J 109.6 . .
H11I C114 H11J 108.1 . .
C114 C115 C116 111.6(3) . .
C114 C115 H11K 109.3 . .
C116 C115 H11K 109.3 . .
C114 C115 H11L 109.3 . .
C116 C115 H11L 109.3 . .
H11K C115 H11L 108.0 . .
N22 C116 C115 114.8(3) . .
N22 C116 C111 111.8(2) . .
C115 C116 C111 109.8(3) . .
N22 C116 H11M 106.6 . .
C115 C116 H11M 106.6 . .
C111 C116 H11M 106.6 . .
N21 C117 H11N 109.5 . .
N21 C117 H11O 109.5 . .
H11N C117 H11O 109.5 . .
N21 C117 H11P 109.5 . .
H11N C117 H11P 109.5 . .
H11O C117 H11P 109.5 . .
N21 C118 H11Q 109.5 . .
N21 C118 H11R 109.5 . .
H11Q C118 H11R 109.5 . .
N21 C118 H11S 109.5 . .
H11Q C118 H11S 109.5 . .
H11R C118 H11S 109.5 . .
N22 C119 H11T 109.5 . .
N22 C119 H11U 109.5 . .
H11T C119 H11U 109.5 . .
N22 C119 H11V 109.5 . .
H11T C119 H11V 109.5 . .
H11U C119 H11V 109.5 . .
N22 C120 Na11 59.96(16) . .
N22 C120 H12D 109.5 . .
Na11 C120 H12D 67.7 . .
N22 C120 H12E 109.5 . .
Na11 C120 H12E 85.1 . .
H12D C120 H12E 109.5 . .
N22 C120 H12F 109.5 . .
Na11 C120 H12F 164.9 . .
H12D C120 H12F 109.5 . .
H12E C120 H12F 109.5 . .
Si21 C121 H12G 109.5 . .
Si21 C121 H12H 109.5 . .
H12G C121 H12H 109.5 . .
Si21 C121 H12I 109.5 . .
H12G C121 H12I 109.5 . .
H12H C121 H12I 109.5 . .
Si21 C122 H12J 109.5 . .
Si21 C122 H12K 109.5 . .
H12J C122 H12K 109.5 . .
Si21 C122 H12L 109.5 . .
H12J C122 H12L 109.5 . .
H12K C122 H12L 109.5 . .
Si21 C123 Na12 80.05(12) . .
Si21 C123 H12M 109.5 . .
Na12 C123 H12M 66.1 . .
Si21 C123 H12N 109.5 . .
Na12 C123 H12N 170.5 . .
H12M C123 H12N 109.5 . .
Si21 C123 H12O 109.5 . .
Na12 C123 H12O 65.9 . .
H12M C123 H12O 109.5 . .
H12N C123 H12O 109.5 . .
Si22 C124 H12P 109.5 . .
Si22 C124 H12Q 109.5 . .
H12P C124 H12Q 109.5 . .
Si22 C124 H12R 109.5 . .
H12P C124 H12R 109.5 . .
H12Q C124 H12R 109.5 . .
Si22 C125 H12S 109.5 . .
Si22 C125 H12T 109.5 . .
H12S C125 H12T 109.5 . .
Si22 C125 H12U 109.5 . .
H12S C125 H12U 109.5 . .
H12T C125 H12U 109.5 . .
Si22 C126 H12V 109.5 . .
Si22 C126 H12W 109.5 . .
H12V C126 H12W 109.5 . .
Si22 C126 H12X 109.5 . .
H12V C126 H12X 109.5 . .
H12W C126 H12X 109.5 . .
Si23 C127 Na10 177.29(18) . 2_556
Si23 C127 H12Y 109.5 . .
Na10 C127 H12Y 67.9 2_556 .
Si23 C127 H12Z 109.5 . .
Na10 C127 H12Z 72.4 2_556 .
H12Y C127 H12Z 109.5 . .
Si23 C127 H117 109.5 . .
Na10 C127 H117 71.3 2_556 .
H12Y C127 H117 109.5 . .
H12Z C127 H117 109.5 . .
Si23 C128 Na11 83.85(12) . .
Si23 C128 H11W 109.5 . .
Na11 C128 H11W 62.3 . .
Si23 C128 H118 109.5 . .
Na11 C128 H118 166.5 . .
H11W C128 H118 109.5 . .
Si23 C128 H119 109.5 . .
Na11 C128 H119 66.4 . .
H11W C128 H119 109.5 . .
H118 C128 H119 109.5 . .
Si23 C129 H11X 109.5 . .
Si23 C129 H11Y 109.5 . .
H11X C129 H11Y 109.5 . .
Si23 C129 H11Z 109.5 . .
H11X C129 H11Z 109.5 . .
H11Y C129 H11Z 109.5 . .
Si24 C130 H13D 109.5 . .
Si24 C130 H13E 109.5 . .
H13D C130 H13E 109.5 . .
Si24 C130 H13F 109.5 . .
H13D C130 H13F 109.5 . .
H13E C130 H13F 109.5 . .
Si24 C131 H13G 109.5 . .
Si24 C131 H13H 109.5 . .
H13G C131 H13H 109.5 . .
Si24 C131 H13I 109.5 . .
H13G C131 H13I 109.5 . .
H13H C131 H13I 109.5 . .
Si24 C132 H13J 109.5 . .
Si24 C132 H13K 109.5 . .
H13J C132 H13K 109.5 . .
Si24 C132 H13L 109.5 . .
H13J C132 H13L 109.5 . .
H13K C132 H13L 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Na1 N4 2.524(3) .
Na1 N2 2.527(3) .
Na1 N3 2.536(3) .
Na1 N1 2.608(3) .
Na1 C22 2.987(4) .
Na1 C12 3.043(4) .
Na1 Na2 3.1263(17) .
Na1 Si4 3.3346(14) .
Na1 Si1 3.3489(14) .
Na2 N3 2.350(3) .
Na2 N4 2.367(3) .
Na2 C65 2.818(4) .
Na2 Si2 3.1812(15) .
Na2 Si3 3.1869(16) .
Na2 Si4 3.3039(15) .
Na2 Si1 3.3472(15) .
Na3 N6 2.522(3) .
Na3 N8 2.537(3) .
Na3 N7 2.556(3) .
Na3 N5 2.605(3) .
Na3 C33 3.083(4) .
Na3 Na4 3.0952(17) .
Na3 C29 3.119(4) .
Na3 Si5 3.3970(14) .
Na3 Si8 3.3970(15) .
Na4 N8 2.341(3) .
Na4 N7 2.351(3) .
Na4 C11 2.763(4) .
Na4 C39 3.109(4) .
Na4 Si7 3.1530(15) .
Na4 Si6 3.1536(16) .
Na4 Si5 3.3542(15) .
Na4 Si8 3.3960(15) .
Na5 N11 2.508(3) .
Na5 N10 2.528(3) .
Na5 N12 2.609(3) .
Na5 N9 2.686(3) .
Na5 C64 2.983(4) .
Na5 C56 3.047(4) .
Na5 C54 3.055(4) .
Na5 C52 3.126(4) .
Na5 Na6 3.1597(17) .
Na5 Si9 3.3531(15) .
Na5 Si12 3.3733(15) .
Na6 N12 2.357(3) .
Na6 N11 2.378(3) .
Na6 C43 2.816(3) 2_656
Na6 C60 2.958(4) .
Na6 Si10 3.2095(16) .
Na6 Si9 3.2338(15) .
Na6 Si12 3.2577(14) .
Na6 Si11 3.2846(15) .
Na7 N16 2.531(3) .
Na7 N15 2.560(3) .
Na7 N14 2.582(3) .
Na7 N13 2.594(3) .
Na7 C80 3.068(4) .
Na7 C73 3.068(4) .
Na7 C76 3.088(5) .
Na7 C85 3.094(4) .
Na7 Na8 3.1201(17) .
Na7 Si14 3.3761(15) .
Na7 Si15 3.3816(15) .
Na8 N15 2.344(3) .
Na8 N16 2.352(3) .
Na8 C100 2.798(3) .
Na8 C88 3.038(4) .
Na8 C77 3.072(4) .
Na8 Si16 3.0957(16) .
Na8 Si13 3.1272(15) .
Na8 Si15 3.3773(16) .
Na8 Si14 3.3792(15) .
Na9 N20 2.486(3) .
Na9 N18 2.565(3) .
Na9 N19 2.638(3) .
Na9 N17 2.658(3) .
Na9 C97 2.929(4) .
Na9 C99 2.969(3) .
Na9 Na10 3.1828(17) .
Na9 Si17 3.3857(15) .
Na9 Si20 3.3995(15) .
Na10 N19 2.364(3) .
Na10 N20 2.376(3) .
Na10 C127 2.901(3) 2_546
Na10 C106 2.948(4) .
Na10 Si19 3.2004(16) .
Na10 Si18 3.2296(15) .
Na10 Si20 3.2995(15) .
Na10 Si17 3.3011(14) .
Na11 N23 2.517(3) .
Na11 N22 2.580(3) .
Na11 N24 2.611(3) .
Na11 N21 2.628(3) .
Na11 C120 2.980(4) .
Na11 C128 3.068(4) .
Na11 Na12 3.1699(17) .
Na11 Si22 3.4169(14) .
Na11 Si23 3.4232(15) .
Na12 N24 2.362(3) .
Na12 N23 2.377(3) .
Na12 C82 2.835(3) .
Na12 C123 2.922(4) .
Na12 Si21 3.1921(16) .
Na12 Si24 3.2398(15) .
Na12 Si22 3.2478(15) .
Na12 Si23 3.2959(14) .
Si1 N3 1.687(3) .
Si1 C13 1.880(4) .
Si1 C12 1.880(4) .
Si1 C11 1.901(3) .
Si2 N3 1.702(3) .
Si2 C14 1.873(4) .
Si2 C15 1.886(4) .
Si2 C16 1.887(4) .
Si3 N4 1.692(2) .
Si3 C19 1.876(4) .
Si3 C17 1.884(4) .
Si3 C18 1.887(4) .
Si4 N4 1.688(2) .
Si4 C21 1.887(4) .
Si4 C20 1.890(4) .
Si4 C22 1.892(4) .
Si5 N7 1.690(2) .
Si5 C33 1.885(4) .
Si5 C35 1.886(4) .
Si5 C34 1.887(4) .
Si6 N7 1.696(3) .
Si6 C36 1.885(4) .
Si6 C37 1.885(4) .
Si6 C38 1.891(4) .
Si7 N8 1.697(3) .
Si7 C40 1.878(4) .
Si7 C39 1.886(4) .
Si7 C41 1.894(4) .
Si8 N8 1.691(3) .
Si8 C42 1.883(4) .
Si8 C44 1.886(3) .
Si8 C43 1.898(3) .
Si9 N11 1.689(3) .
Si9 C55 1.882(4) .
Si9 C56 1.886(4) .
Si9 C57 1.897(4) .
Si10 N11 1.695(3) .
Si10 C59 1.880(4) .
Si10 C58 1.889(4) .
Si10 C60 1.892(4) .
Si11 N12 1.701(3) .
Si11 C61 1.883(3) .
Si11 C62 1.886(3) .
Si11 C63 1.893(4) .
Si12 N12 1.683(2) .
Si12 C64 1.881(4) .
Si12 C66 1.892(3) .
Si12 C65 1.901(3) .
Si13 N15 1.694(3) .
Si13 C78 1.881(4) .
Si13 C79 1.889(3) .
Si13 C77 1.890(4) .
Si14 N15 1.690(2) .
Si14 C80 1.882(4) .
Si14 C81 1.882(3) .
Si14 C82 1.903(3) .
Si15 N16 1.684(3) .
Si15 C85 1.889(4) .
Si15 C83 1.890(4) .
Si15 C84 1.890(4) .
Si16 N16 1.692(3) .
Si16 C86 1.843(5) .
Si16 C88 1.878(4) .
Si16 C87 1.904(4) .
Si17 N19 1.692(2) .
Si17 C99 1.881(3) .
Si17 C101 1.882(3) .
Si17 C100 1.897(3) .
Si18 N19 1.695(3) .
Si18 C104 1.884(4) .
Si18 C103 1.887(3) .
Si18 C102 1.887(4) .
Si19 N20 1.700(3) .
Si19 C105 1.882(4) .
Si19 C107 1.884(4) .
Si19 C106 1.888(3) .
Si20 N20 1.687(3) .
Si20 C109 1.888(4) .
Si20 C110 1.889(4) .
Si20 C108 1.895(4) .
Si21 N23 1.699(3) .
Si21 C121 1.881(4) .
Si21 C122 1.882(4) .
Si21 C123 1.886(4) .
Si22 N23 1.687(3) .
Si22 C125 1.882(4) .
Si22 C124 1.890(4) .
Si22 C126 1.893(4) .
Si23 N24 1.688(2) .
Si23 C128 1.882(3) .
Si23 C129 1.891(3) .
Si23 C127 1.902(3) .
Si24 N24 1.699(3) .
Si24 C132 1.884(3) .
Si24 C131 1.886(3) .
Si24 C130 1.887(3) .
N1 C8 1.462(4) .
N1 C7 1.468(4) .
N1 C1 1.488(4) .
N2 C10 1.469(5) .
N2 C9 1.470(4) .
N2 C6 1.483(4) .
N5 C31 1.464(4) .
N5 C32 1.469(4) .
N5 C28 1.481(4) .
N6 C30 1.463(4) .
N6 C29 1.465(4) .
N6 C23 1.482(4) .
N9 C52 1.464(5) .
N9 C51 1.472(5) .
N9 C45 1.482(4) .
N10 C54 1.457(5) .
N10 C53 1.465(5) .
N10 C50 1.481(4) .
N13 C73 1.457(5) .
N13 C74 1.461(5) .
N13 C67 1.472(5) .
N14 C76 1.461(5) .
N14 C75 1.466(5) .
N14 C72 1.474(4) .
N17 C96 1.460(5) .
N17 C95 1.470(5) .
N17 C89 1.487(4) .
N18 C98 1.463(4) .
N18 C97 1.467(4) .
N18 C90 1.476(4) .
N21 C117 1.462(5) .
N21 C118 1.471(4) .
N21 C111 1.475(4) .
N22 C120 1.463(4) .
N22 C119 1.464(4) .
N22 C116 1.474(4) .
C1 C6 1.535(5) .
C1 C2 1.546(4) .
C1 H1 1.0000 .
C2 C3 1.526(6) .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C3 C4 1.511(7) .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C4 C5 1.528(5) .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C5 C6 1.537(5) .
C5 H5A 0.9900 .
C5 H5B 0.9900 .
C6 H6 1.0000 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 H14X 0.9800 .
C11 H14Y 0.9800 .
C11 H14Z 0.9800 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 C28 1.540(5) .
C23 C24 1.540(5) .
C23 H23 1.0000 .
C24 C25 1.525(6) .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
C25 C26 1.513(7) .
C25 H25A 0.9900 .
C25 H25B 0.9900 .
C26 C27 1.532(6) .
C26 H26A 0.9900 .
C26 H26B 0.9900 .
C27 C28 1.542(5) .
C27 H27A 0.9900 .
C27 H27B 0.9900 .
C28 H28 1.0000 .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C33 H33A 0.9800 .
C33 H33B 0.9800 .
C33 H33C 0.9800 .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C36 H36C 0.9800 .
C37 H37A 0.9800 .
C37 H37B 0.9800 .
C37 H37C 0.9800 .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
C39 H39A 0.9800 .
C39 H39B 0.9800 .
C39 H39C 0.9800 .
C40 H40A 0.9800 .
C40 H40B 0.9800 .
C40 H40C 0.9800 .
C41 H41A 0.9800 .
C41 H41B 0.9800 .
C41 H41C 0.9800 .
C42 H42A 0.9800 .
C42 H42B 0.9800 .
C42 H42C 0.9800 .
C43 Na6 2.816(3) 2_646
C43 H43A 0.9800 .
C43 H43B 0.9800 .
C43 H43C 0.9800 .
C44 H44A 0.9800 .
C44 H44B 0.9800 .
C44 H44C 0.9800 .
C45 C50 1.523(5) .
C45 C46 1.543(5) .
C45 H45 1.0000 .
C46 C47 1.533(5) .
C46 H46A 0.9900 .
C46 H46B 0.9900 .
C47 C48 1.503(7) .
C47 H47A 0.9900 .
C47 H47B 0.9900 .
C48 C49 1.522(6) .
C48 H48A 0.9900 .
C48 H48B 0.9900 .
C49 C50 1.542(4) .
C49 H49A 0.9900 .
C49 H49B 0.9900 .
C50 H50 1.0000 .
C51 H51A 0.9800 .
C51 H51B 0.9800 .
C51 H51C 0.9800 .
C52 H52A 0.9800 .
C52 H52B 0.9800 .
C52 H52C 0.9800 .
C53 H53A 0.9800 .
C53 H53B 0.9800 .
C53 H53C 0.9800 .
C54 H54A 0.9800 .
C54 H54B 0.9800 .
C54 H54C 0.9800 .
C55 H55A 0.9800 .
C55 H55B 0.9800 .
C55 H55C 0.9800 .
C56 H56A 0.9800 .
C56 H56B 0.9800 .
C56 H56C 0.9800 .
C57 H57A 0.9800 .
C57 H57B 0.9800 .
C57 H57C 0.9800 .
C58 H58A 0.9800 .
C58 H58B 0.9800 .
C58 H58C 0.9800 .
C59 H59A 0.9800 .
C59 H59B 0.9800 .
C59 H59C 0.9800 .
C60 H60A 0.9800 .
C60 H60B 0.9800 .
C60 H60C 0.9800 .
C61 H61A 0.9800 .
C61 H61B 0.9800 .
C61 H61C 0.9800 .
C62 H62A 0.9800 .
C62 H62B 0.9800 .
C62 H62C 0.9800 .
C63 H63A 0.9800 .
C63 H63B 0.9800 .
C63 H63C 0.9800 .
C64 H64A 0.9800 .
C64 H64B 0.9800 .
C64 H64C 0.9800 .
C65 H65A 0.9800 .
C65 H65B 0.9800 .
C65 H65C 0.9800 .
C66 H66A 0.9800 .
C66 H66B 0.9800 .
C66 H66C 0.9800 .
C67 C72 1.535(5) .
C67 C68 1.541(5) .
C67 H67 1.0000 .
C68 C69 1.524(7) .
C68 H68A 0.9900 .
C68 H68B 0.9900 .
C69 C70 1.523(7) .
C69 H69A 0.9900 .
C69 H69B 0.9900 .
C70 C71 1.528(7) .
C70 H70A 0.9900 .
C70 H70B 0.9900 .
C71 C72 1.540(5) .
C71 H71A 0.9900 .
C71 H71B 0.9900 .
C72 H72 1.0000 .
C73 H73A 0.9800 .
C73 H73B 0.9800 .
C73 H73C 0.9800 .
C74 H74A 0.9800 .
C74 H74B 0.9800 .
C74 H74C 0.9800 .
C75 H75A 0.9800 .
C75 H75B 0.9800 .
C75 H75C 0.9800 .
C76 H76A 0.9800 .
C76 H76B 0.9800 .
C76 H76C 0.9800 .
C77 H77A 0.9800 .
C77 H77B 0.9800 .
C77 H77C 0.9800 .
C78 H78A 0.9800 .
C78 H78B 0.9800 .
C78 H78C 0.9800 .
C79 H79A 0.9800 .
C79 H79B 0.9800 .
C79 H79C 0.9800 .
C80 H80A 0.9800 .
C80 H80B 0.9800 .
C80 H80C 0.9800 .
C81 H81A 0.9800 .
C81 H81B 0.9800 .
C81 H81C 0.9800 .
C82 H82A 0.9800 .
C82 H82B 0.9800 .
C82 H82C 0.9800 .
C83 H83A 0.9800 .
C83 H83B 0.9800 .
C83 H83C 0.9800 .
C84 H84A 0.9800 .
C84 H84B 0.9800 .
C84 H84C 0.9800 .
C85 H85A 0.9800 .
C85 H85B 0.9800 .
C85 H85C 0.9800 .
C86 H86A 0.9800 .
C86 H86B 0.9800 .
C86 H86C 0.9800 .
C87 H87A 0.9800 .
C87 H87B 0.9800 .
C87 H87C 0.9800 .
C88 H88A 0.9800 .
C88 H88B 0.9800 .
C88 H88C 0.9800 .
C89 C90 1.531(5) .
C89 C94 1.531(5) .
C89 H89 1.0000 .
C90 C91 1.541(5) .
C90 H90 1.0000 .
C91 C92 1.522(5) .
C91 H91A 0.9900 .
C91 H91B 0.9900 .
C92 C93 1.525(6) .
C92 H92A 0.9900 .
C92 H92B 0.9900 .
C93 C94 1.526(6) .
C93 H93A 0.9900 .
C93 H93B 0.9900 .
C94 H94A 0.9900 .
C94 H94B 0.9900 .
C95 H95A 0.9800 .
C95 H95B 0.9800 .
C95 H95C 0.9800 .
C96 H96A 0.9800 .
C96 H96B 0.9800 .
C96 H96C 0.9800 .
C97 H97A 0.9800 .
C97 H97B 0.9800 .
C97 H97C 0.9800 .
C98 H98A 0.9800 .
C98 H98B 0.9800 .
C98 H98C 0.9800 .
C99 H99A 0.9800 .
C99 H99B 0.9800 .
C99 H99C 0.9800 .
C100 H10D 0.9800 .
C100 H10E 0.9800 .
C100 H10F 0.9800 .
C101 H10G 0.9800 .
C101 H10H 0.9800 .
C101 H10I 0.9800 .
C102 H10J 0.9800 .
C102 H10K 0.9800 .
C102 H10L 0.9800 .
C103 H10M 0.9800 .
C103 H10N 0.9800 .
C103 H10O 0.9800 .
C104 H10P 0.9800 .
C104 H10Q 0.9800 .
C104 H10R 0.9800 .
C105 H10S 0.9800 .
C105 H10T 0.9800 .
C105 H10U 0.9800 .
C106 H10V 0.9800 .
C106 H10W 0.9800 .
C106 H10X 0.9800 .
C107 H10Y 0.9800 .
C107 H10Z 0.9800 .
C107 H110 0.9800 .
C108 H111 0.9800 .
C108 H112 0.9800 .
C108 H113 0.9800 .
C109 H114 0.9800 .
C109 H115 0.9800 .
C109 H116 0.9800 .
C110 H11A 0.9800 .
C110 H11B 0.9800 .
C110 H11C 0.9800 .
C111 C116 1.534(4) .
C111 C112 1.543(4) .
C111 H11D 1.0000 .
C112 C113 1.527(5) .
C112 H11E 0.9900 .
C112 H11F 0.9900 .
C113 C114 1.519(5) .
C113 H11G 0.9900 .
C113 H11H 0.9900 .
C114 C115 1.523(5) .
C114 H11I 0.9900 .
C114 H11J 0.9900 .
C115 C116 1.533(4) .
C115 H11K 0.9900 .
C115 H11L 0.9900 .
C116 H11M 1.0000 .
C117 H11N 0.9800 .
C117 H11O 0.9800 .
C117 H11P 0.9800 .
C118 H11Q 0.9800 .
C118 H11R 0.9800 .
C118 H11S 0.9800 .
C119 H11T 0.9800 .
C119 H11U 0.9800 .
C119 H11V 0.9800 .
C120 H12D 0.9800 .
C120 H12E 0.9800 .
C120 H12F 0.9800 .
C121 H12G 0.9800 .
C121 H12H 0.9800 .
C121 H12I 0.9800 .
C122 H12J 0.9800 .
C122 H12K 0.9800 .
C122 H12L 0.9800 .
C123 H12M 0.9800 .
C123 H12N 0.9800 .
C123 H12O 0.9800 .
C124 H12P 0.9800 .
C124 H12Q 0.9800 .
C124 H12R 0.9800 .
C125 H12S 0.9800 .
C125 H12T 0.9800 .
C125 H12U 0.9800 .
C126 H12V 0.9800 .
C126 H12W 0.9800 .
C126 H12X 0.9800 .
C127 Na10 2.901(3) 2_556
C127 H12Y 0.9800 .
C127 H12Z 0.9800 .
C127 H117 0.9800 .
C128 H11W 0.9800 .
C128 H118 0.9800 .
C128 H119 0.9800 .
C129 H11X 0.9800 .
C129 H11Y 0.9800 .
C129 H11Z 0.9800 .
C130 H13D 0.9800 .
C130 H13E 0.9800 .
C130 H13F 0.9800 .
C131 H13G 0.9800 .
C131 H13H 0.9800 .
C131 H13I 0.9800 .
C132 H13J 0.9800 .
C132 H13K 0.9800 .
C132 H13L 0.9800 .
