#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:10:51 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180493 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/62/7216267.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_7216267
loop_
_publ_author_name
'Fujiyama, Shinjiro'
'Seino, Shintaro'
'Kamiya, Natsumi'
'Nishi, Koji'
'Yoza, Kenji'
'Yokomori, Yoshinobu'
_publ_section_title
;
 Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using
 the single-crystal X-ray diffraction method.
;
_journal_issue                   30
_journal_name_full               'Physical chemistry chemical physics : PCCP'
_journal_page_first              15839
_journal_page_last               15845
_journal_paper_doi               10.1039/c4cp01860e
_journal_volume                  16
_journal_year                    2014
_chemical_formula_sum            'C4.5 H0 O48 Si24'
_chemical_formula_weight         1497
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 89.962(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.448(9)
_cell_length_b                   20.156(14)
_cell_length_c                   19.971(14)
_cell_measurement_temperature    296(2)
_cell_volume                     5413(6)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_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      296(2)
_diffrn_measured_fraction_theta_full 0.939
_diffrn_measured_fraction_theta_max 0.939
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0844
_diffrn_reflns_av_sigmaI/netI    0.1133
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            63116
_diffrn_reflns_theta_full        28.60
_diffrn_reflns_theta_max         28.60
_diffrn_reflns_theta_min         1.01
_exptl_absorpt_coefficient_mu    0.669
_exptl_absorpt_correction_T_max  0.9572
_exptl_absorpt_correction_T_min  0.9122
_exptl_absorpt_correction_type   analytical
_exptl_crystal_density_diffrn    1.838
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3008
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.920
_refine_diff_density_min         -0.473
_refine_diff_density_rms         0.139
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.887
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     666
_refine_ls_number_reflns         13015
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.887
_refine_ls_R_factor_all          0.1332
_refine_ls_R_factor_gt           0.0513
_refine_ls_shift/su_max          0.067
_refine_ls_shift/su_mean         0.009
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0661P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1423
_refine_ls_wR_factor_ref         0.1649
_reflns_number_gt                5390
_reflns_number_total             13015
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4cp01860e2.cif
_cod_data_source_block           f_t2butene_twin_02atm_1h
_cod_depositor_comments
;
The following automatic conversions were performed:

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

'_exptl_absorpt_correction_type' value 'Analytical'
changed to 'analytical' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/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 

 Adding full bibliography for 7216252--7216267.cif.
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7216267
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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
C301 C 0.6369(10) 0.2287(8) 0.2413(11) 0.187(10) Uiso 0.811(12) 1 d PG A 1
C302 C 0.6482(7) 0.2964(7) 0.2726(8) 0.169(11) Uiso 0.811(12) 1 d PG A 1
C303 C 0.6438(8) 0.3536(8) 0.2379(8) 0.162(9) Uiso 0.811(12) 1 d PG A 1
C304 C 0.6551(9) 0.4213(7) 0.2693(10) 0.264(16) Uiso 0.811(12) 1 d PG A 1
C101 C 0.9689(19) 0.4941(15) 0.5520(8) 0.13(2) Uiso 0.322(8) 1 d PG . 2
C102 C 1.0205(14) 0.4936(11) 0.4850(9) 0.043(9) Uiso 0.322(8) 1 d PG . 2
C103 C 0.9727(11) 0.4986(9) 0.4259(8) 0.060(10) Uiso 0.322(8) 1 d PG . 2
C104 C 1.0244(11) 0.4980(9) 0.3589(9) 0.079(13) Uiso 0.322(8) 1 d PG . 2
Si1 Si 0.3325(2) 0.42235(15) -0.0575(2) 0.0168(7) Uani 1 1 d . . .
Si2 Si 0.1845(3) 0.30871(17) -0.02991(15) 0.0187(7) Uani 1 1 d . . .
Si3 Si -0.0357(2) 0.27937(16) -0.0624(2) 0.0192(8) Uani 1 1 d . . .
Si4 Si -0.0295(2) 0.12229(16) -0.06338(19) 0.0170(8) Uani 1 1 d . . .
Si5 Si 0.1825(2) 0.07349(16) -0.02837(16) 0.0158(8) Uani 1 1 d . . .
Si6 Si 0.3268(2) 0.18805(16) -0.05822(19) 0.0182(7) Uani 1 1 d . . .
Si7 Si 0.3251(3) 0.42346(17) 0.17153(18) 0.0172(8) Uani 1 1 d . . .
Si8 Si 0.1847(2) 0.30764(17) 0.12811(18) 0.0177(7) Uani 1 1 d . . .
Si9 Si -0.0297(2) 0.27341(18) 0.17338(18) 0.0176(8) Uani 1 1 d . . .
Si10 Si -0.0275(3) 0.11945(18) 0.17431(18) 0.0194(8) Uani 1 1 d . . .
Si11 Si 0.1833(3) 0.07058(15) 0.12921(18) 0.0163(7) Uani 1 1 d . . .
Si12 Si 0.3207(3) 0.18681(17) 0.17038(17) 0.0177(7) Uani 1 1 d . . .
Si13 Si 0.3390(2) 0.42415(15) 0.5571(2) 0.0165(7) Uani 1 1 d . . .
Si14 Si 0.1928(2) 0.30870(18) 0.52867(16) 0.0186(8) Uani 1 1 d . . .
Si15 Si -0.0282(2) 0.27986(16) 0.5609(2) 0.0172(7) Uani 1 1 d . . .
Si16 Si -0.0268(2) 0.12332(16) 0.56394(18) 0.0160(7) Uani 1 1 d . . .
Si17 Si 0.1866(2) 0.07062(16) 0.52852(16) 0.0141(7) Uani 1 1 d . . .
Si18 Si 0.3271(2) 0.18556(16) 0.56110(19) 0.0185(7) Uani 1 1 d . . .
Si19 Si 0.3232(3) 0.42285(17) 0.32755(18) 0.0173(8) Uani 1 1 d . . .
Si20 Si 0.1827(2) 0.30872(17) 0.37010(17) 0.0176(7) Uani 1 1 d . . .
Si21 Si -0.0329(2) 0.27393(17) 0.32890(18) 0.0182(8) Uani 1 1 d . . .
Si22 Si -0.0296(3) 0.11901(18) 0.32809(18) 0.0176(8) Uani 1 1 d . . .
Si23 Si 0.1835(3) 0.06997(16) 0.36997(19) 0.0179(8) Uani 1 1 d . . .
Si24 Si 0.3151(3) 0.18794(17) 0.32470(16) 0.0180(7) Uani 1 1 d . . .
O1 O 0.2390(6) 0.3736(4) -0.0572(6) 0.045(3) Uani 1 1 d . . .
O2 O 0.0744(6) 0.3077(4) -0.0627(5) 0.036(2) Uani 1 1 d . . .
O3 O -0.0364(7) 0.2008(4) -0.0578(6) 0.051(3) Uani 1 1 d . . .
O4 O 0.0846(5) 0.0988(4) -0.0629(5) 0.033(2) Uani 1 1 d . . .
O5 O 0.2775(5) 0.1157(3) -0.0539(6) 0.032(2) Uani 1 1 d . . .
O6 O 0.2426(6) 0.2433(4) -0.0478(6) 0.050(3) Uani 1 1 d . . .
O7 O 0.2395(7) 0.3727(4) 0.1574(5) 0.040(3) Uani 1 1 d . . .
O8 O 0.0754(6) 0.3048(4) 0.1607(4) 0.040(2) Uani 1 1 d . . .
O9 O -0.0265(7) 0.1951(4) 0.1546(4) 0.032(2) Uani 1 1 d . . .
O10 O 0.0802(6) 0.0891(5) 0.1649(5) 0.040(3) Uani 1 1 d . . .
O11 O 0.2728(6) 0.1166(4) 0.1541(5) 0.030(2) Uani 1 1 d . . .
O12 O 0.2494(6) 0.2436(4) 0.1481(5) 0.048(3) Uani 1 1 d . . .
O13 O 0.1812(8) 0.3113(5) 0.0499(5) 0.068(3) Uani 1 1 d . . .
O14 O 0.1686(6) 0.0796(4) 0.0508(5) 0.035(2) Uani 1 1 d . . .
O15 O 0.3909(7) 0.4180(4) -0.1278(4) 0.037(2) Uani 1 1 d . . .
O16 O 0.4067(7) 0.4041(5) 0.0005(5) 0.048(3) Uani 1 1 d . . .
O17 O 0.4225(6) 0.3993(5) 0.1341(5) 0.034(2) Uani 1 1 d . . .
O18 O 0.3761(5) 0.1952(4) -0.1294(4) 0.030(2) Uani 1 1 d . . .
O19 O 0.4102(7) 0.1947(5) -0.0022(4) 0.040(2) Uani 1 1 d . . .
O20 O 0.4224(6) 0.1951(4) 0.1287(4) 0.033(2) Uani 1 1 d . . .
O21 O 0.2039(6) -0.0031(4) -0.0512(5) 0.032(2) Uani 1 1 d . . .
O22 O 0.2086(6) -0.0045(4) 0.1477(5) 0.034(2) Uani 1 1 d . . .
O23 O 0.3492(3) 0.4238(2) 0.2503(6) 0.0345(11) Uani 1 1 d . . .
O24 O 0.3472(3) 0.1929(2) 0.2492(5) 0.0301(11) Uani 1 1 d . . .
O25 O -0.0544(3) 0.2832(2) 0.2494(5) 0.0284(11) Uani 1 1 d . . .
O26 O -0.0609(3) 0.10999(19) 0.2493(5) 0.0246(10) Uani 1 1 d . . .
O27 O 0.2487(6) 0.3723(4) 0.5562(6) 0.037(2) Uani 1 1 d . . .
O28 O 0.0809(5) 0.3097(4) 0.5557(5) 0.0293(19) Uani 1 1 d . . .
O29 O -0.0236(7) 0.2015(4) 0.5595(6) 0.052(3) Uani 1 1 d . . .
O30 O 0.0818(6) 0.0937(5) 0.5614(6) 0.045(3) Uani 1 1 d . . .
O31 O 0.2722(6) 0.1159(4) 0.5573(5) 0.030(2) Uani 1 1 d . . .
O32 O 0.2467(6) 0.2442(4) 0.5581(5) 0.035(2) Uani 1 1 d . . .
O33 O 0.2309(6) 0.3726(4) 0.3407(5) 0.038(3) Uani 1 1 d . . .
O34 O 0.0673(6) 0.3088(4) 0.3513(4) 0.033(2) Uani 1 1 d . . .
O35 O -0.0267(7) 0.1973(4) 0.3479(4) 0.040(3) Uani 1 1 d . . .
O36 O 0.0789(7) 0.0882(5) 0.3395(5) 0.052(3) Uani 1 1 d . . .
O37 O 0.2652(7) 0.1181(5) 0.3368(5) 0.042(3) Uani 1 1 d . . .
O38 O 0.2302(6) 0.2433(4) 0.3390(5) 0.042(2) Uani 1 1 d . . .
O39 O 0.1916(7) 0.3083(5) 0.4499(5) 0.060(3) Uani 1 1 d . . .
O40 O 0.1817(6) 0.0798(4) 0.4495(4) 0.040(2) Uani 1 1 d . . .
O41 O 0.3929(7) 0.4190(4) 0.6270(5) 0.037(3) Uani 1 1 d . . .
O42 O 0.4155(7) 0.4099(5) 0.4964(4) 0.036(2) Uani 1 1 d . . .
O43 O 0.4221(6) 0.4005(4) 0.3686(4) 0.032(2) Uani 1 1 d . . .
O44 O 0.3885(6) 0.1891(4) 0.6306(4) 0.031(2) Uani 1 1 d . . .
O45 O 0.4035(7) 0.1914(5) 0.4989(4) 0.042(3) Uani 1 1 d . . .
O46 O -0.0871(6) 0.3015(5) -0.1310(4) 0.045(3) Uani 1 1 d . . .
O47 O 0.2082(5) -0.0034(3) 0.5465(5) 0.0224(19) Uani 1 1 d . . .
O48 O 0.2117(6) -0.0057(4) 0.3528(5) 0.029(2) Uani 1 1 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'
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'
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
C303 C302 C301 123.8 . .
C302 C303 C304 123.8 . .
C102 C101 C103 104(5) 3_766 3_766
C102 C101 C102 25(4) 3_766 .
C103 C101 C102 92(3) 3_766 .
C102 C101 C104 153(4) 3_766 3_766
C103 C101 C104 57.3(16) 3_766 3_766
C102 C101 C104 149(2) . 3_766
C101 C102 C102 132(6) 3_766 3_766
C101 C102 C103 41(2) 3_766 .
C102 C102 C103 106(3) 3_766 .
C101 C102 C101 155(3) 3_766 .
C102 C102 C101 23(4) 3_766 .
C103 C102 C101 123.8 . .
C101 C102 C103 153(3) 3_766 3_766
C102 C102 C103 46.3(16) 3_766 3_766
C103 C102 C103 153(2) . 3_766
C101 C102 C103 30.7(17) . 3_766
C101 C103 C102 35(3) 3_766 .
C101 C103 C104 92(2) 3_766 .
C102 C103 C104 123.8 . .
C101 C103 C102 57.3(17) 3_766 3_766
C102 C103 C102 27.3(16) . 3_766
C104 C103 C102 149.3(13) . 3_766
C103 C104 C101 30.7(10) . 3_766
O16 Si1 O1 110.7(6) . .
O16 Si1 O47 109.5(5) . 2
O1 Si1 O47 107.7(4) . 2
O16 Si1 O15 108.6(5) . .
O1 Si1 O15 110.8(6) . .
O47 Si1 O15 109.6(5) 2 .
O6 Si2 O1 112.4(5) . .
O6 Si2 O13 105.5(6) . .
O1 Si2 O13 109.1(6) . .
O6 Si2 O2 110.6(5) . .
O1 Si2 O2 107.0(5) . .
O13 Si2 O2 112.3(5) . .
O45 Si3 O3 108.9(6) 4_565 .
O45 Si3 O2 110.5(5) 4_565 .
O3 Si3 O2 111.4(5) . .
O45 Si3 O46 109.5(5) 4_565 .
O3 Si3 O46 109.0(6) . .
O2 Si3 O46 107.5(5) . .
O42 Si4 O43 110.2(5) 4_565 4_565
O42 Si4 O3 109.7(6) 4_565 .
O43 Si4 O3 109.1(6) 4_565 .
O42 Si4 O4 109.2(5) 4_565 .
O43 Si4 O4 108.3(5) 4_565 .
O3 Si4 O4 110.3(5) . .
O4 Si5 O14 108.2(5) . .
O4 Si5 O5 110.6(5) . .
O14 Si5 O5 111.3(5) . .
O4 Si5 O21 109.4(5) . .
O14 Si5 O21 111.7(5) . .
O5 Si5 O21 105.7(5) . .
O18 Si6 O19 109.2(5) . .
O18 Si6 O6 110.5(5) . .
O19 Si6 O6 110.4(6) . .
O18 Si6 O5 107.8(5) . .
O19 Si6 O5 109.3(5) . .
O6 Si6 O5 109.5(4) . .
O7 Si7 O17 108.8(5) . .
O7 Si7 O48 107.6(5) . 2
O17 Si7 O48 113.0(5) . 2
O7 Si7 O23 109.2(5) . .
O17 Si7 O23 107.2(4) . .
O48 Si7 O23 111.0(4) 2 .
O13 Si8 O12 107.6(6) . .
O13 Si8 O8 112.3(5) . .
O12 Si8 O8 111.5(5) . .
O13 Si8 O7 109.7(6) . .
O12 Si8 O7 108.3(5) . .
O8 Si8 O7 107.4(5) . .
O25 Si9 O8 107.2(4) . .
O25 Si9 O44 108.4(4) . 4_565
O8 Si9 O44 110.3(5) . 4_565
O25 Si9 O9 110.6(4) . .
O8 Si9 O9 109.4(5) . .
O44 Si9 O9 110.9(5) 4_565 .
O26 Si10 O9 110.9(4) . .
O26 Si10 O10 109.1(4) . .
O9 Si10 O10 109.7(5) . .
O26 Si10 O41 107.9(4) . 4_565
O9 Si10 O41 108.8(5) . 4_565
O10 Si10 O41 110.5(6) . 4_565
O14 Si11 O22 111.3(5) . .
O14 Si11 O11 109.5(5) . .
O22 Si11 O11 108.5(5) . .
O14 Si11 O10 107.7(5) . .
O22 Si11 O10 107.7(5) . .
O11 Si11 O10 112.2(5) . .
O12 Si12 O11 110.3(5) . .
O12 Si12 O20 107.4(5) . .
O11 Si12 O20 109.3(5) . .
O12 Si12 O24 111.0(4) . .
O11 Si12 O24 110.9(4) . .
O20 Si12 O24 107.9(4) . .
O41 Si13 O21 107.2(5) . 2
O41 Si13 O27 108.4(6) . .
O21 Si13 O27 109.2(5) 2 .
O41 Si13 O42 111.1(5) . .
O21 Si13 O42 109.9(5) 2 .
O27 Si13 O42 111.0(5) . .
O39 Si14 O27 110.9(6) . .
O39 Si14 O28 109.1(5) . .
O27 Si14 O28 108.6(5) . .
O39 Si14 O32 111.6(6) . .
O27 Si14 O32 108.3(5) . .
O28 Si14 O32 108.2(5) . .
O29 Si15 O20 110.4(6) . 4_566
O29 Si15 O28 109.9(5) . .
O20 Si15 O28 108.7(5) 4_566 .
O29 Si15 O19 109.1(6) . 4_566
O20 Si15 O19 110.8(5) 4_566 4_566
O28 Si15 O19 107.8(5) . 4_566
O30 Si16 O29 110.5(5) . .
O30 Si16 O17 108.0(6) . 4_566
O29 Si16 O17 109.8(6) . 4_566
O30 Si16 O16 110.6(6) . 4_566
O29 Si16 O16 107.8(6) . 4_566
O17 Si16 O16 110.0(5) 4_566 4_566
O47 Si17 O31 109.4(5) . .
O47 Si17 O40 110.3(5) . .
O31 Si17 O40 109.0(5) . .
O47 Si17 O30 110.0(5) . .
O31 Si17 O30 108.6(5) . .
O40 Si17 O30 109.4(5) . .
O31 Si18 O32 109.7(4) . .
O31 Si18 O45 108.8(6) . .
O32 Si18 O45 110.3(5) . .
O31 Si18 O44 108.5(5) . .
O32 Si18 O44 110.1(5) . .
O45 Si18 O44 109.4(5) . .
O23 Si19 O22 110.4(4) . 2
O23 Si19 O33 109.6(5) . .
O22 Si19 O33 108.4(5) 2 .
O23 Si19 O43 108.3(4) . .
O22 Si19 O43 108.4(5) 2 .
O33 Si19 O43 111.8(5) . .
O33 Si20 O38 111.9(5) . .
O33 Si20 O34 108.4(5) . .
O38 Si20 O34 107.4(5) . .
O33 Si20 O39 110.4(6) . .
O38 Si20 O39 110.8(6) . .
O34 Si20 O39 107.9(5) . .
O34 Si21 O35 108.5(5) . .
O34 Si21 O18 109.2(4) . 4_566
O35 Si21 O18 107.0(5) . 4_566
O34 Si21 O25 112.2(4) . .
O35 Si21 O25 110.8(4) . .
O18 Si21 O25 109.0(4) 4_566 .
O15 Si22 O36 110.8(6) 4_566 .
O15 Si22 O35 109.9(5) 4_566 .
O36 Si22 O35 108.6(6) . .
O15 Si22 O26 108.1(4) 4_566 .
O36 Si22 O26 109.2(5) . .
O35 Si22 O26 110.3(4) . .
O36 Si23 O40 109.9(5) . .
O36 Si23 O48 110.4(5) . .
O40 Si23 O48 109.4(5) . .
O36 Si23 O37 108.0(6) . .
O40 Si23 O37 110.2(5) . .
O48 Si23 O37 108.9(5) . .
O24 Si24 O37 108.6(4) . .
O24 Si24 O46 107.3(4) . 4_666
O37 Si24 O46 112.6(5) . 4_666
O24 Si24 O38 108.5(4) . .
O37 Si24 O38 106.7(5) . .
O46 Si24 O38 113.0(5) 4_666 .
Si2 O1 Si1 150.3(7) . .
Si3 O2 Si2 148.8(6) . .
Si3 O3 Si4 171.8(8) . .
Si5 O4 Si4 154.0(7) . .
Si6 O5 Si5 145.3(6) . .
Si2 O6 Si6 164.4(7) . .
Si7 O7 Si8 158.7(7) . .
Si9 O8 Si8 154.4(6) . .
Si10 O9 Si9 152.1(5) . .
Si10 O10 Si11 159.1(7) . .
Si12 O11 Si11 152.4(6) . .
Si12 O12 Si8 173.9(7) . .
Si8 O13 Si2 174.4(8) . .
Si11 O14 Si5 162.3(6) . .
Si22 O15 Si1 147.7(6) 4_665 .
Si1 O16 Si16 172.0(8) . 4_665
Si7 O17 Si16 147.2(6) . 4_665
Si6 O18 Si21 145.5(6) . 4_665
Si6 O19 Si15 161.9(7) . 4_665
Si15 O20 Si12 145.8(6) 4_665 .
Si13 O21 Si5 146.4(6) 2_545 .
Si11 O22 Si19 151.8(6) . 2_545
Si19 O23 Si7 155.5(3) . .
Si24 O24 Si12 150.2(3) . .
Si9 O25 Si21 153.4(3) . .
Si10 O26 Si22 145.7(3) . .
Si14 O27 Si13 153.1(7) . .
Si15 O28 Si14 152.4(6) . .
Si15 O29 Si16 174.3(8) . .
Si16 O30 Si17 157.6(8) . .
Si17 O31 Si18 150.3(6) . .
Si14 O32 Si18 156.6(6) . .
Si20 O33 Si19 153.6(7) . .
Si21 O34 Si20 153.3(6) . .
Si21 O35 Si22 151.8(6) . .
Si23 O36 Si22 163.4(7) . .
Si24 O37 Si23 153.1(6) . .
Si20 O38 Si24 157.1(7) . .
Si14 O39 Si20 176.2(7) . .
Si17 O40 Si23 165.9(6) . .
Si13 O41 Si10 148.1(6) . 4_666
Si4 O42 Si13 163.3(7) 4_666 .
Si4 O43 Si19 148.6(6) 4_666 .
Si9 O44 Si18 147.0(6) 4_666 .
Si3 O45 Si18 161.4(8) 4_666 .
Si24 O46 Si3 150.1(6) 4_565 .
Si17 O47 Si1 148.9(5) . 2_545
Si7 O48 Si23 147.6(6) 2_545 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C301 C302 1.5081 .
C302 C303 1.3465 .
C303 C304 1.5080 .
C101 C102 0.79(4) 3_766
C101 C103 0.91(4) 3_766
C101 C102 1.5072 .
C101 C104 1.79(3) 3_766
C102 C101 0.79(4) 3_766
C102 C102 0.86(4) 3_766
C102 C103 1.3483 .
C102 C103 1.79(3) 3_766
C103 C101 0.91(3) 3_766
C103 C104 1.5071 .
C103 C102 1.79(3) 3_766
C104 C101 1.79(3) 3_766
Si1 O16 1.574(9) .
Si1 O1 1.596(8) .
Si1 O47 1.609(7) 2
Si1 O15 1.610(9) .
Si2 O6 1.575(8) .
Si2 O1 1.595(9) .
Si2 O13 1.596(10) .
Si2 O2 1.619(9) .
Si3 O45 1.585(9) 4_565
Si3 O3 1.586(8) .
Si3 O2 1.587(9) .
Si3 O46 1.600(9) .
Si4 O42 1.546(9) 4_565
Si4 O43 1.575(9) 4_565
Si4 O3 1.589(8) .
Si4 O4 1.607(8) .
Si5 O4 1.571(8) .
Si5 O14 1.597(10) .
Si5 O5 1.618(8) .
Si5 O21 1.634(8) .
Si6 O18 1.575(8) .
Si6 O19 1.591(9) .
Si6 O6 1.601(8) .
Si6 O5 1.603(7) .
Si7 O7 1.566(9) .
Si7 O17 1.585(9) .
Si7 O48 1.587(8) 2
Si7 O23 1.607(11) .
Si8 O13 1.564(10) .
Si8 O12 1.607(8) .
Si8 O8 1.608(9) .
Si8 O7 1.614(9) .
Si9 O25 1.566(10) .
Si9 O8 1.569(9) .
Si9 O44 1.586(9) 4_565
Si9 O9 1.623(9) .
Si10 O26 1.574(11) .
Si10 O9 1.575(9) .
Si10 O10 1.583(9) .
Si10 O41 1.625(8) 4_565
Si11 O14 1.589(10) .
Si11 O22 1.594(9) .
Si11 O11 1.600(9) .
Si11 O10 1.602(9) .
Si12 O12 1.559(8) .
Si12 O11 1.588(8) .
Si12 O20 1.609(9) .
Si12 O24 1.619(10) .
Si13 O41 1.577(10) .
Si13 O21 1.581(8) 2
Si13 O27 1.602(7) .
Si13 O42 1.616(10) .
Si14 O39 1.574(9) .
Si14 O27 1.585(8) .
Si14 O28 1.598(8) .
Si14 O32 1.601(8) .
Si15 O29 1.580(8) .
Si15 O20 1.590(9) 4_566
Si15 O28 1.590(8) .
Si15 O19 1.593(9) 4_566
Si16 O30 1.579(8) .
Si16 O29 1.580(8) .
Si16 O17 1.622(9) 4_566
Si16 O16 1.646(9) 4_566
Si17 O47 1.562(7) .
Si17 O31 1.578(8) .
Si17 O40 1.590(9) .
Si17 O30 1.623(9) .
Si18 O31 1.588(8) .
Si18 O32 1.603(8) .
Si18 O45 1.616(9) .
Si18 O44 1.617(9) .
Si19 O23 1.581(11) .
Si19 O22 1.604(9) 2
Si19 O33 1.623(9) .
Si19 O43 1.627(8) .
Si20 O33 1.556(9) .
Si20 O38 1.592(9) .
Si20 O34 1.597(8) .
Si20 O39 1.598(9) .
Si21 O34 1.585(8) .
Si21 O35 1.592(9) .
Si21 O18 1.605(8) 4_566
Si21 O25 1.626(10) .
Si22 O15 1.574(9) 4_566
Si22 O36 1.602(9) .
Si22 O35 1.628(9) .
Si22 O26 1.640(11) .
Si23 O36 1.576(9) .
Si23 O40 1.601(9) .
Si23 O48 1.609(8) .
Si23 O37 1.609(9) .
Si24 O24 1.571(10) .
Si24 O37 1.577(9) .
Si24 O46 1.599(9) 4_666
Si24 O38 1.622(8) .
O15 Si22 1.573(9) 4_665
O16 Si16 1.646(9) 4_665
O17 Si16 1.622(9) 4_665
O18 Si21 1.605(8) 4_665
O19 Si15 1.593(9) 4_665
O20 Si15 1.590(9) 4_665
O21 Si13 1.581(8) 2_545
O22 Si19 1.604(9) 2_545
O41 Si10 1.625(8) 4_666
O42 Si4 1.546(9) 4_666
O43 Si4 1.575(9) 4_666
O44 Si9 1.586(9) 4_666
O45 Si3 1.585(9) 4_666
O46 Si24 1.599(9) 4_565
O47 Si1 1.609(7) 2_545
O48 Si7 1.587(8) 2_545
