#------------------------------------------------------------------------------
#$Date: 2016-03-21 19:15:46 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178842 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/96/4109680.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_4109680
loop_
_publ_author_name
'Stacey I. Zones'
'Allen W. Burton'
'Greg S. Lee'
'Marilyn M. Olmstead'
_publ_section_title
;
 A Study of Piperidinium Structure-Directing Agents in the Synthesis of
 Silica Molecular Sieves under Fluoride-Based Conditions
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9066
_journal_page_last               9079
_journal_paper_doi               10.1021/ja0709122
_journal_volume                  129
_journal_year                    2007
_chemical_formula_moiety         'Si16 O32 F, C11 H24 N'
_chemical_formula_sum            'C11 H24 F N O32 Si16'
_chemical_formula_weight         1150.75
_chemical_name_common            SSZ-35/C11H24N
_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                105.207(3)
_cell_angle_beta                 96.995(3)
_cell_angle_gamma                94.425(3)
_cell_formula_units_Z            1
_cell_length_a                   7.4025(12)
_cell_length_b                   11.3530(18)
_cell_length_c                   11.4856(18)
_cell_measurement_reflns_used    3768
_cell_measurement_temperature    93(2)
_cell_measurement_theta_max      27.3
_cell_measurement_theta_min      2.6
_cell_volume                     918.5(3)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'Apex2 (Bruker, 2005)'
_computing_data_reduction        'SAINT and cell_now (Sheldrick, 2005)'
_computing_molecular_graphics    'SHELXTL 5.1, XP (Sheldrick, 1994)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      93(2)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker ApexII'
_diffrn_measurement_method       ω
_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  0.0360
_diffrn_reflns_av_sigmaI/netI    0.0720
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            17537
_diffrn_reflns_theta_full        27.54
_diffrn_reflns_theta_max         27.54
_diffrn_reflns_theta_min         1.86
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.676
_exptl_absorpt_correction_T_max  0.980
_exptl_absorpt_correction_T_min  0.798
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Twinabs (Sheldrick, 2004)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.080
_exptl_crystal_description       needle
_exptl_crystal_F_000             586
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.545
_refine_diff_density_min         -0.465
_refine_diff_density_rms         0.098
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.583
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         5049
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      0.584
_refine_ls_R_factor_all          0.0562
_refine_ls_R_factor_gt           0.0405
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0323P)²+13.3753P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0952
_refine_ls_wR_factor_ref         0.1001
_reflns_number_gt                3629
_reflns_number_total             5057
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ja0709122si20070208_095000.cif
_cod_data_source_block           twin
_cod_database_code               4109680
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 Si 0.46462(13) -0.07651(9) 0.25275(9) 0.0115(2) Uani 1 1 d . . .
Si2 Si 0.28030(13) 0.06829(9) 0.08476(9) 0.0119(2) Uani 1 1 d . . .
Si3 Si 0.42808(13) 0.26779(9) -0.02988(9) 0.0121(2) Uani 1 1 d . . .
Si4 Si 0.81256(14) 0.38411(10) 0.06695(9) 0.0135(2) Uani 1 1 d . . .
Si5 Si 0.89923(13) 0.14715(9) 0.14366(9) 0.0115(2) Uani 1 1 d . . .
Si6 Si 0.83777(13) 0.06334(9) 0.37027(9) 0.0113(2) Uani 1 1 d . . .
Si7 Si 0.93883(14) 0.65339(10) 0.13293(9) 0.0164(2) Uani 1 1 d . . .
Si8 Si 0.89368(13) 0.14013(9) 0.64258(9) 0.0119(2) Uani 1 1 d . . .
O1 O 0.4047(3) 0.0254(2) 0.1869(2) 0.0174(6) Uani 1 1 d . . .
O2 O 0.3995(4) 0.1748(3) 0.0524(3) 0.0195(6) Uani 1 1 d . . .
O3 O 0.5911(3) 0.3718(2) 0.0423(2) 0.0170(6) Uani 1 1 d . . .
O4 O 0.8755(4) 0.2827(2) 0.1340(2) 0.0203(6) Uani 1 1 d . . .
O5 O 0.8407(3) 0.1417(2) 0.2729(2) 0.0158(5) Uani 1 1 d . . .
O6 O 0.6432(3) -0.0177(2) 0.3517(2) 0.0154(5) Uani 1 1 d . . .
O7 O 0.5157(4) -0.1953(2) 0.1581(2) 0.0193(6) Uani 1 1 d . . .
O8 O 0.3066(3) -0.1184(2) 0.3223(2) 0.0154(5) Uani 1 1 d . . .
O9 O 0.1093(4) 0.1228(3) 0.1433(2) 0.0205(6) Uani 1 1 d . . .
O10 O 0.2251(4) -0.0455(3) -0.0344(3) 0.0243(6) Uani 1 1 d . . .
O11 O 0.2463(4) 0.3305(3) -0.0541(3) 0.0258(7) Uani 1 1 d . . .
O12 O 0.8867(3) 0.3628(3) -0.0612(2) 0.0188(6) Uani 1 1 d . . .
O13 O 0.8902(4) 0.5166(2) 0.1548(2) 0.0186(6) Uani 1 1 d . . .
O14 O 0.8693(3) 0.1563(2) 0.5052(2) 0.0139(5) Uani 1 1 d . . .
O15 O 0.9994(3) 0.0227(2) 0.6433(2) 0.0161(6) Uani 1 1 d . . .
O16 O 1.0101(4) 0.2641(3) 0.7275(2) 0.0199(6) Uani 1 1 d . . .
F1 F 0.9841(8) 0.8133(5) 0.1125(5) 0.0373(13) Uani 0.50 1 d P . .
C49 C 0.6137(15) 0.5399(10) 0.7063(10) 0.047(3) Uiso 0.50 1 d PD A -1
H49A H 0.5257 0.6013 0.7072 0.056 Uiso 0.50 1 calc PR A -1
H49B H 0.6814 0.5568 0.7899 0.056 Uiso 0.50 1 calc PR A -1
C50 C 0.506(2) 0.4093(11) 0.6697(11) 0.036(3) Uiso 0.50 1 d PD A -1
H50A H 0.4146 0.4064 0.7250 0.043 Uiso 0.50 1 calc PR A -1
H50B H 0.5923 0.3485 0.6787 0.043 Uiso 0.50 1 calc PR A -1
C51 C 0.4074(16) 0.3747(11) 0.5347(11) 0.039(4) Uiso 0.50 1 d PD A -1
C52 C 0.5457(15) 0.3941(10) 0.4521(10) 0.045(3) Uiso 0.50 1 d PD A -1
H52A H 0.4797 0.3786 0.3682 0.054 Uiso 0.50 1 calc PR A -1
H52B H 0.6329 0.3319 0.4502 0.054 Uiso 0.50 1 calc PR A -1
N53 N 0.6562(12) 0.5217(8) 0.4877(8) 0.045(2) Uiso 0.50 1 d PD A -1
C54 C 0.7479(15) 0.5536(11) 0.6197(9) 0.047(3) Uiso 0.50 1 d PD A -1
H54A H 0.8448 0.4993 0.6264 0.057 Uiso 0.50 1 calc PR A -1
H54B H 0.8072 0.6393 0.6440 0.057 Uiso 0.50 1 calc PR A -1
C55 C 0.2236(14) 0.4296(10) 0.5263(10) 0.040(2) Uiso 0.50 1 d PD A -1
H55A H 0.2464 0.5195 0.5535 0.061 Uiso 0.50 1 calc PR A -1
H55B H 0.1454 0.4006 0.5784 0.061 Uiso 0.50 1 calc PR A -1
H55C H 0.1622 0.4037 0.4416 0.061 Uiso 0.50 1 calc PR A -1
C56 C 0.360(2) 0.2379(11) 0.5017(15) 0.030(4) Uiso 0.50 1 d PD A -1
H56A H 0.2900 0.2166 0.5620 0.044 Uiso 0.50 1 calc PR A -1
H56B H 0.4726 0.1980 0.5009 0.044 Uiso 0.50 1 calc PR A -1
H56C H 0.2858 0.2098 0.4207 0.044 Uiso 0.50 1 calc PR A -1
C57 C 0.539(2) 0.6220(12) 0.4653(12) 0.044(4) Uiso 0.50 1 d PD A -1
H57 H 0.4376 0.6205 0.5153 0.053 Uiso 0.50 1 calc PR A -1
C58 C 0.648(3) 0.7535(16) 0.518(2) 0.062(7) Uiso 0.50 1 d PD A -1
H58A H 0.6925 0.7671 0.6048 0.093 Uiso 0.50 1 calc PR A -1
H58B H 0.5671 0.8156 0.5075 0.093 Uiso 0.50 1 calc PR A -1
H58C H 0.7523 0.7599 0.4740 0.093 Uiso 0.50 1 calc PR A -1
C59 C 0.445(3) 0.5910(18) 0.3323(15) 0.071(6) Uiso 0.50 1 d PD A -1
H59A H 0.3384 0.5295 0.3199 0.107 Uiso 0.50 1 calc PR A -1
H59B H 0.5312 0.5581 0.2774 0.107 Uiso 0.50 1 calc PR A -1
H59C H 0.4039 0.6656 0.3149 0.107 Uiso 0.50 1 calc PR A -1
C60 C 0.7992(19) 0.5087(14) 0.4063(13) 0.062(4) Uiso 0.50 1 d P A -1
H60A H 0.7448 0.5102 0.3246 0.094 Uiso 0.50 1 calc PR A -1
H60B H 0.8498 0.4306 0.4015 0.094 Uiso 0.50 1 calc PR A -1
H60C H 0.8973 0.5767 0.4391 0.094 Uiso 0.50 1 calc PR A -1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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'
F F 0.0171 0.0103 '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
O1 Si1 O7 111.70(15) . .
O1 Si1 O8 111.66(14) . .
O7 Si1 O8 108.72(14) . .
O1 Si1 O6 108.04(15) . .
O7 Si1 O6 108.24(14) . .
O8 Si1 O6 108.36(14) . .
O2 Si2 O9 108.95(16) . .
O2 Si2 O10 109.52(16) . .
O9 Si2 O10 113.93(15) . .
O2 Si2 O1 107.57(15) . .
O9 Si2 O1 107.50(15) . .
O10 Si2 O1 109.17(16) . .
O11 Si3 O3 109.42(16) . .
O11 Si3 O7 109.50(15) . 2_655
O3 Si3 O7 109.12(14) . 2_655
O11 Si3 O2 111.24(15) . .
O3 Si3 O2 107.64(15) . .
O7 Si3 O2 109.88(15) 2_655 .
O13 Si4 O12 110.82(15) . .
O13 Si4 O4 108.16(15) . .
O12 Si4 O4 110.58(15) . .
O13 Si4 O3 109.76(14) . .
O12 Si4 O3 108.50(14) . .
O4 Si4 O3 108.99(15) . .
O4 Si5 O10 111.91(16) . 2_655
O4 Si5 O9 109.98(16) . 1_655
O10 Si5 O9 109.27(15) 2_655 1_655
O4 Si5 O5 106.01(14) . .
O10 Si5 O5 110.62(15) 2_655 .
O9 Si5 O5 108.98(15) 1_655 .
O5 Si6 O15 108.95(14) . 2_756
O5 Si6 O6 111.06(14) . .
O15 Si6 O6 110.80(15) 2_756 .
O5 Si6 O14 108.82(14) . .
O15 Si6 O14 109.32(14) 2_756 .
O6 Si6 O14 107.85(13) . .
O11 Si7 O12 115.14(15) 2_665 2_765
O11 Si7 O16 119.02(15) 2_665 2_766
O12 Si7 O16 113.27(14) 2_765 2_766
O11 Si7 O13 102.14(16) 2_665 .
O12 Si7 O13 103.76(15) 2_765 .
O16 Si7 O13 100.08(15) 2_766 .
O11 Si7 F1 76.4(2) 2_665 .
O12 Si7 F1 79.3(2) 2_765 .
O16 Si7 F1 78.4(2) 2_766 .
O13 Si7 F1 176.9(2) . .
O15 Si8 O16 111.71(15) . .
O15 Si8 O8 109.64(14) . 2_656
O16 Si8 O8 113.10(14) . 2_656
O15 Si8 O14 108.63(13) . .
O16 Si8 O14 105.74(15) . .
O8 Si8 O14 107.79(14) 2_656 .
Si1 O1 Si2 151.88(19) . .
Si2 O2 Si3 150.90(19) . .
Si3 O3 Si4 136.91(17) . .
Si5 O4 Si4 155.3(2) . .
Si6 O5 Si5 145.27(18) . .
Si6 O6 Si1 142.39(18) . .
Si1 O7 Si3 153.7(2) . 2_655
Si8 O8 Si1 159.24(19) 2_656 .
Si2 O9 Si5 155.3(2) . 1_455
Si5 O10 Si2 159.9(2) 2_655 .
Si7 O11 Si3 154.6(2) 2_665 .
Si4 O12 Si7 146.98(18) . 2_765
Si4 O13 Si7 134.20(18) . .
Si6 O14 Si8 134.74(17) . .
Si8 O15 Si6 158.50(19) . 2_756
Si8 O16 Si7 142.96(19) . 2_766
C54 C49 C50 112.3(10) . .
C54 C49 H49A 109.2 . .
C50 C49 H49A 109.2 . .
C54 C49 H49B 109.2 . .
C50 C49 H49B 109.2 . .
H49A C49 H49B 107.9 . .
C49 C50 C51 111.1(10) . .
C49 C50 H50A 109.4 . .
C51 C50 H50A 109.4 . .
C49 C50 H50B 109.4 . .
C51 C50 H50B 109.4 . .
H50A C50 H50B 108.0 . .
C56 C51 C52 104.5(10) . .
C56 C51 C55 106.1(10) . .
C52 C51 C55 120.1(10) . .
C56 C51 C50 104.5(11) . .
C52 C51 C50 109.1(10) . .
C55 C51 C50 111.2(10) . .
C51 C52 N53 115.9(9) . .
C51 C52 H52A 108.3 . .
N53 C52 H52A 108.3 . .
C51 C52 H52B 108.3 . .
N53 C52 H52B 108.3 . .
H52A C52 H52B 107.4 . .
C60 N53 C54 109.2(9) . .
C60 N53 C57 109.0(10) . .
C54 N53 C57 111.3(8) . .
C60 N53 C52 104.5(9) . .
C54 N53 C52 110.1(9) . .
C57 N53 C52 112.5(9) . .
C49 C54 N53 112.5(9) . .
C49 C54 H54A 109.1 . .
N53 C54 H54A 109.1 . .
C49 C54 H54B 109.1 . .
N53 C54 H54B 109.1 . .
H54A C54 H54B 107.8 . .
N53 C57 C59 112.0(11) . .
N53 C57 C58 111.4(12) . .
C59 C57 C58 115.9(14) . .
N53 C57 H57 105.6 . .
C59 C57 H57 105.6 . .
C58 C57 H57 105.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Si1 O1 1.601(3) .
Si1 O7 1.598(3) .
Si1 O8 1.604(3) .
Si1 O6 1.608(3) .
Si2 O2 1.591(3) .
Si2 O9 1.596(3) .
Si2 O10 1.601(3) .
Si2 O1 1.602(3) .
Si3 O11 1.598(3) .
Si3 O3 1.600(3) .
Si3 O7 1.608(3) 2_655
Si3 O2 1.609(3) .
Si4 O13 1.594(3) .
Si4 O12 1.599(3) .
Si4 O4 1.611(3) .
Si4 O3 1.618(3) .
Si5 O4 1.593(3) .
Si5 O10 1.596(3) 2_655
Si5 O9 1.601(3) 1_655
Si5 O5 1.611(3) .
Si6 O5 1.603(3) .
Si6 O15 1.606(3) 2_756
Si6 O6 1.607(3) .
Si6 O14 1.608(3) .
Si7 O11 1.599(3) 2_665
Si7 O12 1.611(3) 2_765
Si7 O16 1.612(3) 2_766
Si7 O13 1.656(3) .
Si7 F1 1.900(6) .
Si8 O15 1.599(3) .
Si8 O16 1.601(3) .
Si8 O8 1.601(3) 2_656
Si8 O14 1.626(3) .
O7 Si3 1.608(3) 2_655
O8 Si8 1.601(3) 2_656
O9 Si5 1.601(3) 1_455
O10 Si5 1.596(3) 2_655
O11 Si7 1.599(3) 2_665
O12 Si7 1.611(3) 2_765
O15 Si6 1.606(3) 2_756
O16 Si7 1.612(3) 2_766
C49 C54 1.516(12) .
C49 C50 1.554(14) .
C49 H49A 0.9900 .
C49 H49B 0.9900 .
C50 C51 1.566(13) .
C50 H50A 0.9900 .
C50 H50B 0.9900 .
C51 C56 1.501(13) .
C51 C52 1.519(13) .
C51 C55 1.543(13) .
C52 N53 1.536(12) .
C52 H52A 0.9900 .
C52 H52B 0.9900 .
N53 C60 1.487(16) .
N53 C54 1.521(12) .
N53 C57 1.539(16) .
C54 H54A 0.9900 .
C54 H54B 0.9900 .
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 C59 1.538(15) .
C57 C58 1.571(15) .
C57 H57 1.0000 .
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 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O7 Si1 O1 Si2 54.5(4) . .
O8 Si1 O1 Si2 -67.5(4) . .
O6 Si1 O1 Si2 173.4(4) . .
O2 Si2 O1 Si1 -149.6(4) . .
O9 Si2 O1 Si1 93.2(4) . .
O10 Si2 O1 Si1 -30.9(4) . .
O9 Si2 O2 Si3 -71.5(4) . .
O10 Si2 O2 Si3 53.8(4) . .
O1 Si2 O2 Si3 172.3(4) . .
O11 Si3 O2 Si2 44.3(4) . .
O3 Si3 O2 Si2 164.2(4) . .
O7 Si3 O2 Si2 -77.1(4) 2_655 .
O11 Si3 O3 Si4 -160.8(2) . .
O7 Si3 O3 Si4 -41.0(3) 2_655 .
O2 Si3 O3 Si4 78.2(3) . .
O13 Si4 O3 Si3 -177.4(2) . .
O12 Si4 O3 Si3 61.3(3) . .
O4 Si4 O3 Si3 -59.2(3) . .
O10 Si5 O4 Si4 -14.6(5) 2_655 .
O9 Si5 O4 Si4 107.0(5) 1_655 .
O5 Si5 O4 Si4 -135.3(5) . .
O13 Si4 O4 Si5 -172.8(4) . .
O12 Si4 O4 Si5 -51.3(5) . .
O3 Si4 O4 Si5 67.9(5) . .
O15 Si6 O5 Si5 25.4(4) 2_756 .
O6 Si6 O5 Si5 -96.9(3) . .
O14 Si6 O5 Si5 144.5(3) . .
O4 Si5 O5 Si6 -169.4(3) . .
O10 Si5 O5 Si6 69.1(3) 2_655 .
O9 Si5 O5 Si6 -51.1(4) 1_655 .
O5 Si6 O6 Si1 21.4(3) . .
O15 Si6 O6 Si1 -99.8(3) 2_756 .
O14 Si6 O6 Si1 140.5(3) . .
O1 Si1 O6 Si6 -44.8(3) . .
O7 Si1 O6 Si6 76.3(3) . .
O8 Si1 O6 Si6 -165.9(3) . .
O1 Si1 O7 Si3 18.1(5) . 2_655
O8 Si1 O7 Si3 141.7(4) . 2_655
O6 Si1 O7 Si3 -100.8(4) . 2_655
O1 Si1 O8 Si8 21.0(6) . 2_656
O7 Si1 O8 Si8 -102.7(5) . 2_656
O6 Si1 O8 Si8 139.9(5) . 2_656
O2 Si2 O9 Si5 101.9(5) . 1_455
O10 Si2 O9 Si5 -20.8(6) . 1_455
O1 Si2 O9 Si5 -141.8(5) . 1_455
O2 Si2 O10 Si5 -119.3(6) . 2_655
O9 Si2 O10 Si5 3.0(7) . 2_655
O1 Si2 O10 Si5 123.2(6) . 2_655
O3 Si3 O11 Si7 140.6(5) . 2_665
O7 Si3 O11 Si7 21.1(6) 2_655 2_665
O2 Si3 O11 Si7 -100.6(5) . 2_665
O13 Si4 O12 Si7 66.1(4) . 2_765
O4 Si4 O12 Si7 -53.9(4) . 2_765
O3 Si4 O12 Si7 -173.4(3) . 2_765
O12 Si4 O13 Si7 35.0(3) . .
O4 Si4 O13 Si7 156.4(2) . .
O3 Si4 O13 Si7 -84.8(3) . .
O11 Si7 O13 Si4 51.7(3) 2_665 .
O12 Si7 O13 Si4 -68.3(3) 2_765 .
O16 Si7 O13 Si4 174.5(2) 2_766 .
F1 Si7 O13 Si4 113(4) . .
O5 Si6 O14 Si8 -175.7(2) . .
O15 Si6 O14 Si8 -56.8(3) 2_756 .
O6 Si6 O14 Si8 63.8(3) . .
O15 Si8 O14 Si6 33.7(3) . .
O16 Si8 O14 Si6 153.8(2) . .
O8 Si8 O14 Si6 -85.0(2) 2_656 .
O16 Si8 O15 Si6 -54.2(5) . 2_756
O8 Si8 O15 Si6 179.6(5) 2_656 2_756
O14 Si8 O15 Si6 62.0(5) . 2_756
O15 Si8 O16 Si7 -81.7(3) . 2_766
O8 Si8 O16 Si7 42.6(4) 2_656 2_766
O14 Si8 O16 Si7 160.3(3) . 2_766
C54 C49 C50 C51 -55.0(14) . .
C49 C50 C51 C56 163.7(11) . .
C49 C50 C51 C52 52.4(13) . .
C49 C50 C51 C55 -82.3(13) . .
C56 C51 C52 N53 -164.7(10) . .
C55 C51 C52 N53 76.5(13) . .
C50 C51 C52 N53 -53.5(13) . .
C51 C52 N53 C60 170.8(10) . .
C51 C52 N53 C54 53.6(12) . .
C51 C52 N53 C57 -71.1(11) . .
C50 C49 C54 N53 55.5(13) . .
C60 N53 C54 C49 -166.8(10) . .
C57 N53 C54 C49 72.7(12) . .
C52 N53 C54 C49 -52.7(12) . .
C60 N53 C57 C59 59.6(15) . .
C54 N53 C57 C59 -179.8(12) . .
C52 N53 C57 C59 -55.8(14) . .
C60 N53 C57 C58 -71.9(15) . .
C54 N53 C57 C58 48.7(15) . .
C52 N53 C57 C58 172.7(12) . .
