#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:13:34 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180495 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/64/7216419.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_7216419
loop_
_publ_author_name
'Basu, Arghya'
'Chutia, Romen'
'Das, Gopal'
_publ_section_title
;
 Dual modes of binding on the hexafluorosilicate anion by a C3v symmetric
 flexible tripodal amide ligand in solid state
;
_journal_issue                   22
_journal_name_full               CrystEngComm
_journal_page_first              4886
_journal_paper_doi               10.1039/c4ce00529e
_journal_volume                  16
_journal_year                    2014
_chemical_formula_sum            'C96 H102 F6 N16 O30 Si'
_chemical_formula_weight         2102.03
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                108.655(2)
_cell_angle_beta                 105.033(2)
_cell_angle_gamma                92.632(2)
_cell_formula_units_Z            1
_cell_length_a                   13.1197(5)
_cell_length_b                   13.1321(6)
_cell_length_c                   15.7929(6)
_cell_measurement_reflns_used    7460
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      23.17
_cell_measurement_theta_min      2.15
_cell_volume                     2464.94(18)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1291
_diffrn_reflns_av_sigmaI/netI    0.1083
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            30365
_diffrn_reflns_theta_full        27.78
_diffrn_reflns_theta_max         27.78
_diffrn_reflns_theta_min         1.42
_exptl_absorpt_coefficient_mu    0.125
_exptl_absorpt_correction_T_max  0.974
_exptl_absorpt_correction_T_min  0.964
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADBAS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.416
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       neddle
_exptl_crystal_F_000             1098.0
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.21
_refine_diff_density_max         0.221
_refine_diff_density_min         -0.497
_refine_diff_density_rms         0.055
_refine_ls_extinction_coef       0.0011(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.830
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     708
_refine_ls_number_reflns         11455
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      0.830
_refine_ls_R_factor_all          0.1322
_refine_ls_R_factor_gt           0.0608
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1000P)²+0.0200P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1524
_refine_ls_wR_factor_ref         0.1831
_reflns_number_gt                9244
_reflns_number_total             11455
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ce00529e2.cif
_cod_data_source_block           1b
_cod_depositor_comments
;
The following automatic conversions were performed:

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

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        2464.94(17)
_cod_database_code               7216419
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
N1 N 0.1639(2) -0.1577(2) 0.18190(17) 0.0488(7) Uani 1 1 d .
C1 C 0.1565(3) -0.1733(3) 0.27029(19) 0.0557(9) Uani 1 1 d .
H1A H 0.1696 -0.2460 0.2682 0.067 Uiso 1 1 calc R
H1B H 0.0853 -0.1649 0.2764 0.067 Uiso 1 1 calc R
C2 C 0.2377(3) -0.0905(3) 0.3535(2) 0.0600(9) Uani 1 1 d .
H2A H 0.2235 -0.0913 0.4106 0.072 Uiso 1 1 calc R
H2B H 0.3086 -0.1097 0.3552 0.072 Uiso 1 1 calc R
O1 O 0.23359(17) 0.01628(18) 0.34814(14) 0.0583(6) Uani 1 1 d .
C4 C 0.0768(3) 0.0389(3) 0.40696(19) 0.0535(8) Uani 1 1 d .
H4 H 0.0730 -0.0301 0.4111 0.064 Uiso 1 1 calc R
C8 C 0.1607(3) 0.1780(3) 0.3698(2) 0.0537(9) Uani 1 1 d .
H8 H 0.2133 0.2021 0.3482 0.064 Uiso 1 1 calc R
C7 C 0.0889(2) 0.2449(3) 0.39549(19) 0.0519(8) Uani 1 1 d .
H7 H 0.0933 0.3140 0.3916 0.062 Uiso 1 1 calc R
C9 C -0.1123(2) 0.2899(3) 0.5196(2) 0.0530(9) Uani 1 1 d .
C3 C 0.1563(2) 0.0760(3) 0.37545(19) 0.0478(8) Uani 1 1 d .
C5 C 0.0038(3) 0.1068(3) 0.4319(2) 0.0537(9) Uani 1 1 d .
H5 H -0.0500 0.0823 0.4521 0.064 Uiso 1 1 calc R
C6 C 0.0094(2) 0.2096(3) 0.42734(19) 0.0485(8) Uani 1 1 d .
C10 C -0.1857(2) 0.3737(3) 0.5299(2) 0.0510(8) Uani 1 1 d .
C14 C -0.3212(3) 0.4663(3) 0.4634(2) 0.0637(10) Uani 1 1 d .
H14 H -0.3662 0.4762 0.4114 0.076 Uiso 1 1 calc R
C15 C -0.2523(3) 0.3912(3) 0.4534(2) 0.0607(9) Uani 1 1 d .
H15 H -0.2500 0.3509 0.3938 0.073 Uiso 1 1 calc R
C13 C -0.3226(3) 0.5268(3) 0.5518(2) 0.0559(9) Uani 1 1 d .
C12 C -0.2575(3) 0.5122(3) 0.6300(2) 0.0643(10) Uani 1 1 d .
H12 H -0.2593 0.5539 0.6894 0.077 Uiso 1 1 calc R
C11 C -0.1900(3) 0.4352(3) 0.6187(2) 0.0624(9) Uani 1 1 d .
H11 H -0.1468 0.4239 0.6709 0.075 Uiso 1 1 calc R
O2 O -0.09727(17) 0.23465(19) 0.56977(15) 0.0677(7) Uani 1 1 d .
O3 O -0.4015(2) 0.6571(3) 0.6400(2) 0.1119(10) Uani 1 1 d .
O4 O -0.4508(2) 0.6209(3) 0.4922(2) 0.1049(10) Uani 1 1 d .
N2 N -0.0644(2) 0.2807(3) 0.45124(19) 0.0558(8) Uani 1 1 d .
N3 N -0.3970(3) 0.6076(3) 0.5619(3) 0.0739(9) Uani 1 1 d .
N4 N -0.0769(2) 0.4044(2) 0.2021(2) 0.0594(8) Uani 1 1 d .
N5 N -0.2095(2) 0.8882(3) 0.3158(2) 0.0654(8) Uani 1 1 d .
N6 N 0.3552(2) 0.2893(3) 0.0087(2) 0.0635(8) Uani 1 1 d .
N7 N 0.3822(2) 0.6675(3) -0.1697(2) 0.0680(8) Uani 1 1 d .
C24 C -0.0980(2) 0.4646(3) 0.2804(2) 0.0541(9) Uani 1 1 d .
C21 C -0.0483(3) 0.2979(3) 0.1826(2) 0.0504(8) Uani 1 1 d .
C25 C -0.1270(2) 0.5750(3) 0.2863(2) 0.0492(8) Uani 1 1 d .
C28 C -0.1832(2) 0.7785(3) 0.3051(2) 0.0503(8) Uani 1 1 d .
C18 C 0.0096(3) 0.0916(3) 0.1399(2) 0.0518(8) Uani 1 1 d .
C26 C -0.1700(3) 0.6281(3) 0.3574(2) 0.0568(9) Uani 1 1 d .
H26 H -0.1803 0.5944 0.3987 0.068 Uiso 1 1 calc R
C20 C -0.1062(3) 0.2151(3) 0.1936(2) 0.0573(9) Uani 1 1 d .
H20 H -0.1654 0.2289 0.2154 0.069 Uiso 1 1 calc R
C17 C -0.0081(3) -0.0956(3) 0.1277(2) 0.0590(9) Uani 1 1 d .
H17A H -0.0782 -0.1162 0.0825 0.071 Uiso 1 1 calc R
H17B H -0.0166 -0.0774 0.1898 0.071 Uiso 1 1 calc R
C30 C -0.1144(3) 0.6257(3) 0.2242(2) 0.0572(9) Uani 1 1 d .
H30 H -0.0866 0.5906 0.1758 0.069 Uiso 1 1 calc R
C19 C -0.0775(3) 0.1121(3) 0.1726(2) 0.0551(8) Uani 1 1 d .
H19 H -0.1168 0.0569 0.1806 0.066 Uiso 1 1 calc R
C27 C -0.1976(3) 0.7302(3) 0.3674(2) 0.0600(9) Uani 1 1 d .
H27 H -0.2255 0.7660 0.4155 0.072 Uiso 1 1 calc R
C16 C 0.0577(3) -0.1868(3) 0.1095(2) 0.0610(9) Uani 1 1 d .
H16A H 0.0201 -0.2518 0.1100 0.073 Uiso 1 1 calc R
H16B H 0.0680 -0.2019 0.0482 0.073 Uiso 1 1 calc R
C29 C -0.1426(3) 0.7278(3) 0.2336(2) 0.0599(9) Uani 1 1 d .
H29 H -0.1342 0.7616 0.1918 0.072 Uiso 1 1 calc R
C23 C 0.0674(3) 0.1739(3) 0.1272(2) 0.0562(9) Uani 1 1 d .
H23 H 0.1257 0.1597 0.1043 0.067 Uiso 1 1 calc R
C22 C 0.0388(3) 0.2758(3) 0.1483(2) 0.0557(9) Uani 1 1 d .
H22 H 0.0777 0.3307 0.1396 0.067 Uiso 1 1 calc R
O5 O 0.04791(17) -0.00672(19) 0.11951(14) 0.0605(6) Uani 1 1 d .
O6 O -0.0956(2) 0.43014(19) 0.34444(16) 0.0802(8) Uani 1 1 d .
O7 O -0.2383(2) 0.9369(2) 0.3838(2) 0.0859(8) Uani 1 1 d .
O8 O -0.2015(2) 0.9278(2) 0.2569(2) 0.0927(9) Uani 1 1 d .
O9 O 0.31838(17) -0.04594(17) 0.14788(13) 0.0603(6) Uani 1 1 d .
O10 O 0.4401(2) 0.2209(2) -0.0992(2) 0.0929(9) Uani 1 1 d .
O11 O 0.3567(2) 0.7502(2) -0.1228(2) 0.0938(9) Uani 1 1 d .
O12 O 0.4057(2) 0.6618(2) -0.24076(19) 0.0987(9) Uani 1 1 d .
C40 C 0.3921(2) 0.3951(3) -0.0835(2) 0.0517(8) Uani 1 1 d .
C43 C 0.3868(2) 0.5740(3) -0.1391(2) 0.0530(8) Uani 1 1 d .
C33 C 0.3307(2) 0.0316(3) 0.1083(2) 0.0521(8) Uani 1 1 d .
C37 C 0.3442(3) 0.0935(3) -0.0150(2) 0.0805(12) Uani 1 1 d .
H37 H 0.3467 0.0782 -0.0761 0.097 Uiso 1 1 calc R
C34 C 0.3384(2) 0.1372(3) 0.1643(2) 0.0570(9) Uani 1 1 d .
H34 H 0.3370 0.1525 0.2257 0.068 Uiso 1 1 calc R
C31 C 0.2489(3) -0.2139(3) 0.1459(2) 0.0550(8) Uani 1 1 d .
H31A H 0.2207 -0.2889 0.1079 0.066 Uiso 1 1 calc R
H31B H 0.3082 -0.2132 0.1979 0.066 Uiso 1 1 calc R
C35 C 0.3481(2) 0.2204(3) 0.1317(2) 0.0577(9) Uani 1 1 d .
H35 H 0.3535 0.2917 0.1711 0.069 Uiso 1 1 calc R
C45 C 0.4394(3) 0.4014(3) -0.1514(2) 0.0630(9) Uani 1 1 d .
H45 H 0.4738 0.3445 -0.1780 0.076 Uiso 1 1 calc R
C36 C 0.3500(2) 0.2000(3) 0.0406(2) 0.0568(9) Uani 1 1 d .
C32 C 0.2871(3) -0.1565(3) 0.0882(2) 0.0593(9) Uani 1 1 d .
H32A H 0.3470 -0.1872 0.0694 0.071 Uiso 1 1 calc R
H32B H 0.2304 -0.1625 0.0327 0.071 Uiso 1 1 calc R
C42 C 0.3385(3) 0.5710(3) -0.0722(2) 0.0633(9) Uani 1 1 d .
H42 H 0.3049 0.6285 -0.0456 0.076 Uiso 1 1 calc R
C41 C 0.3412(3) 0.4807(3) -0.0456(2) 0.0644(10) Uani 1 1 d .
H41 H 0.3079 0.4772 -0.0011 0.077 Uiso 1 1 calc R
C39 C 0.3981(3) 0.2948(3) -0.0587(2) 0.0602(9) Uani 1 1 d .
C44 C 0.4362(3) 0.4904(3) -0.1799(2) 0.0618(9) Uani 1 1 d .
H44 H 0.4670 0.4935 -0.2260 0.074 Uiso 1 1 calc R
C38 C 0.3349(3) 0.0089(3) 0.0181(2) 0.0747(11) Uani 1 1 d .
H38 H 0.3315 -0.0624 -0.0201 0.090 Uiso 1 1 calc R
Si1 Si 1.0000 0.5000 0.0000 0.0615(4) Uani 1 2 d S
F2 F 0.91464(17) 0.59434(16) 0.00834(13) 0.0838(6) Uani 1 1 d .
F1 F 0.91695(15) 0.42334(15) 0.02803(12) 0.0747(6) Uani 1 1 d .
F3 F 1.07006(15) 0.56031(16) 0.11569(12) 0.0778(6) Uani 1 1 d .
N8 N 0.5510(2) 0.0411(3) 0.3346(2) 0.0774(9) Uani 1 1 d .
C46 C 0.6021(4) 0.0969(4) 0.2884(4) 0.1249(18) Uani 1 1 d .
H46A H 0.6749 0.1236 0.3248 0.187 Uiso 1 1 calc R
H46B H 0.5654 0.1567 0.2815 0.187 Uiso 1 1 calc R
H46C H 0.6000 0.0477 0.2279 0.187 Uiso 1 1 calc R
C47 C 0.5372(5) 0.1051(4) 0.4234(3) 0.144(2) Uani 1 1 d .
H47A H 0.5228 0.0578 0.4557 0.216 Uiso 1 1 calc R
H47B H 0.4786 0.1451 0.4130 0.216 Uiso 1 1 calc R
H47C H 0.6011 0.1547 0.4605 0.216 Uiso 1 1 calc R
C48 C 0.5249(3) -0.0643(4) 0.3006(3) 0.0808(12) Uani 1 1 d .
H48 H 0.5385 -0.1008 0.2445 0.097 Uiso 1 1 calc R
O13 O 0.4843(2) -0.1193(2) 0.3358(2) 0.1065(10) Uani 1 1 d .
O14 O 0.7167(3) 0.5192(3) 0.8488(2) 0.0929(8) Uani 1 1 d D
O15 O 0.4072(3) 0.6713(3) 0.3123(2) 0.1113(10) Uani 1 1 d D
H1N H 0.1826(19) -0.086(2) 0.1973(16) 0.033(8) Uiso 1 1 d .
H6N H 0.327(3) 0.353(3) 0.034(3) 0.100(15) Uiso 1 1 d .
H4N H -0.074(2) 0.429(2) 0.1628(18) 0.036(8) Uiso 1 1 d .
H2N H -0.076(2) 0.326(2) 0.4265(19) 0.041(9) Uiso 1 1 d .
H17O H 0.432(6) 0.671(6) 0.373(2) 0.23(3) Uiso 1 1 d D
H16O H 0.450(3) 0.737(2) 0.328(3) 0.109(16) Uiso 1 1 d D
H14O H 0.688(4) 0.451(3) 0.801(3) 0.18(3) Uiso 1 1 d D
H15O H 0.785(2) 0.497(5) 0.855(4) 0.19(3) Uiso 1 1 d D
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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
C16 N1 C31 112.7(2) . .
C16 N1 C1 111.6(2) . .
C31 N1 C1 112.7(2) . .
N1 C1 C2 109.8(2) . .
O1 C2 C1 110.7(2) . .
C3 O1 C2 120.2(2) . .
C5 C4 C3 118.8(3) . .
C7 C8 C3 121.0(3) . .
C8 C7 C6 120.1(3) . .
O2 C9 N2 123.4(3) . .
O2 C9 C10 121.5(3) . .
N2 C9 C10 115.1(3) . .
C8 C3 O1 115.7(3) . .
C8 C3 C4 119.7(3) . .
O1 C3 C4 124.5(3) . .
C6 C5 C4 121.2(3) . .
C5 C6 C7 119.1(3) . .
C5 C6 N2 122.8(3) . .
C7 C6 N2 118.1(3) . .
C15 C10 C11 118.4(3) . .
C15 C10 C9 122.1(3) . .
C11 C10 C9 119.5(3) . .
C15 C14 C13 118.7(3) . .
C14 C15 C10 121.6(3) . .
C14 C13 C12 121.5(4) . .
C14 C13 N3 118.3(3) . .
C12 C13 N3 120.1(3) . .
C11 C12 C13 119.1(3) . .
C12 C11 C10 120.6(3) . .
C9 N2 C6 127.0(3) . .
O4 N3 O3 123.5(4) . .
O4 N3 C13 118.6(3) . .
O3 N3 C13 117.9(4) . .
C24 N4 C21 126.3(3) . .
O7 N5 O8 122.7(3) . .
O7 N5 C28 118.4(3) . .
O8 N5 C28 119.0(3) . .
C39 N6 C36 126.3(4) . .
O12 N7 O11 121.7(3) . .
O12 N7 C43 119.2(4) . .
O11 N7 C43 119.1(3) . .
O6 C24 N4 121.6(3) . .
O6 C24 C25 120.8(3) . .
N4 C24 C25 117.6(3) . .
C20 C21 C22 119.0(3) . .
C20 C21 N4 122.2(3) . .
C22 C21 N4 118.7(3) . .
C26 C25 C30 118.8(3) . .
C26 C25 C24 117.7(3) . .
C30 C25 C24 123.5(3) . .
C29 C28 C27 121.8(3) . .
C29 C28 N5 118.3(3) . .
C27 C28 N5 119.9(3) . .
C19 C18 O5 124.8(3) . .
C19 C18 C23 120.0(3) . .
O5 C18 C23 115.2(3) . .
C27 C26 C25 120.7(3) . .
C21 C20 C19 120.9(3) . .
O5 C17 C16 106.1(3) . .
C29 C30 C25 120.6(3) . .
C18 C19 C20 119.6(3) . .
C26 C27 C28 119.0(3) . .
N1 C16 C17 110.8(2) . .
C28 C29 C30 119.0(3) . .
C22 C23 C18 120.2(3) . .
C23 C22 C21 120.3(3) . .
C18 O5 C17 118.8(2) . .
C33 O9 C32 118.4(2) . .
C41 C40 C45 118.0(3) . .
C41 C40 C39 124.9(3) . .
C45 C40 C39 117.1(3) . .
C44 C43 C42 122.1(3) . .
C44 C43 N7 118.9(3) . .
C42 C43 N7 118.9(3) . .
C34 C33 C38 119.5(3) . .
C34 C33 O9 116.1(3) . .
C38 C33 O9 124.3(3) . .
C36 C37 C38 121.4(3) . .
C35 C34 C33 121.1(3) . .
N1 C31 C32 109.5(3) . .
C34 C35 C36 120.6(3) . .
C44 C45 C40 121.1(3) . .
C37 C36 C35 118.0(3) . .
C37 C36 N6 123.6(3) . .
C35 C36 N6 118.4(3) . .
O9 C32 C31 105.1(2) . .
C43 C42 C41 118.3(3) . .
C42 C41 C40 121.7(3) . .
O10 C39 N6 122.1(3) . .
O10 C39 C40 120.4(3) . .
N6 C39 C40 117.5(4) . .
C43 C44 C45 118.8(3) . .
C33 C38 C37 119.2(3) . .
F1 Si1 F1 180.00(12) 2_765 .
F1 Si1 F2 91.49(9) 2_765 .
F1 Si1 F2 88.51(9) . .
F1 Si1 F2 88.51(9) 2_765 2_765
F1 Si1 F2 91.49(9) . 2_765
F2 Si1 F2 180.0 . 2_765
F1 Si1 F3 89.59(9) 2_765 .
F1 Si1 F3 90.41(9) . .
F2 Si1 F3 91.51(9) . .
F2 Si1 F3 88.49(9) 2_765 .
F1 Si1 F3 90.41(9) 2_765 2_765
F1 Si1 F3 89.59(9) . 2_765
F2 Si1 F3 88.49(10) . 2_765
F2 Si1 F3 91.51(9) 2_765 2_765
F3 Si1 F3 180.00(14) . 2_765
C48 N8 C46 120.9(4) . .
C48 N8 C47 121.5(4) . .
C46 N8 C47 117.4(4) . .
O13 C48 N8 125.9(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
N1 C16 1.497(4) .
N1 C31 1.500(4) .
N1 C1 1.500(3) .
C1 C2 1.516(4) .
C2 O1 1.435(4) .
O1 C3 1.383(4) .
C4 C5 1.384(4) .
C4 C3 1.397(4) .
C8 C7 1.367(4) .
C8 C3 1.369(4) .
C7 C6 1.390(4) .
C9 O2 1.222(3) .
C9 N2 1.361(4) .
C9 C10 1.493(4) .
C5 C6 1.375(4) .
C6 N2 1.413(4) .
C10 C15 1.387(4) .
C10 C11 1.394(4) .
C14 C15 1.368(4) .
C14 C13 1.373(4) .
C13 C12 1.384(4) .
C13 N3 1.474(4) .
C12 C11 1.373(5) .
O3 N3 1.215(4) .
O4 N3 1.212(4) .
N4 C24 1.343(4) .
N4 C21 1.423(4) .
N5 O7 1.224(3) .
N5 O8 1.226(3) .
N5 C28 1.464(4) .
N6 C39 1.347(4) .
N6 C36 1.421(4) .
N7 O12 1.219(4) .
N7 O11 1.219(4) .
N7 C43 1.455(4) .
C24 O6 1.227(3) .
C24 C25 1.496(4) .
C21 C20 1.379(4) .
C21 C22 1.391(4) .
C25 C26 1.389(4) .
C25 C30 1.389(4) .
C28 C29 1.365(4) .
C28 C27 1.375(4) .
C18 C19 1.376(4) .
C18 O5 1.378(4) .
C18 C23 1.387(4) .
C26 C27 1.375(4) .
C20 C19 1.381(4) .
C17 O5 1.410(4) .
C17 C16 1.505(4) .
C30 C29 1.380(4) .
C23 C22 1.367(4) .
O9 C33 1.377(3) .
O9 C32 1.426(3) .
O10 C39 1.221(4) .
C40 C41 1.384(4) .
C40 C45 1.393(4) .
C40 C39 1.488(5) .
C43 C44 1.367(4) .
C43 C42 1.376(4) .
C33 C34 1.368(4) .
C33 C38 1.375(4) .
C37 C36 1.380(4) .
C37 C38 1.384(4) .
C34 C35 1.363(4) .
C31 C32 1.515(4) .
C35 C36 1.384(4) .
C45 C44 1.379(4) .
C42 C41 1.378(4) .
Si1 F1 1.6826(17) 2_765
Si1 F1 1.6826(17) .
Si1 F2 1.705(2) .
Si1 F2 1.705(2) 2_765
Si1 F3 1.7165(17) .
Si1 F3 1.7165(17) 2_765
N8 C48 1.307(5) .
N8 C46 1.440(5) .
N8 C47 1.448(5) .
C48 O13 1.219(4) .
