Topotactic condensation of layer silicates with ferrierite-type layers forming porous tectosilicates.
Marler, B.; Wang, Y.; Song, J.; Gies, H.; Dalton transactions (Cambridge, England : 2003) 43 (2014) 10396–10416; doi:10.1039/c4dt00262h

data_7030806
_publ_section_title
;
 Topotactic condensation of layer silicates with ferrierite-type layers
 forming porous tectosilicates.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10396
_journal_page_last               10416
_journal_paper_doi               10.1039/c4dt00262h
_journal_volume                  43
_journal_year                    2014
_chemical_formula_analytical     '[Si36O72(OH)4](C6H16N)4'
_chemical_formula_moiety         'C24 H68 N4 O76 Si36'
_chemical_formula_sum            'C24 H68 N4 O76 Si36'
_chemical_formula_weight         2639.9
_chemical_name_common            RUB-36
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P -2ac -2n'
_symmetry_space_group_name_H-M   'P n 21 a'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            1
_cell_length_a                   22.239(2)
_cell_length_b                   14.025(2)
_cell_length_c                   7.391(1)
_cell_measurement_temperature    298
_cell_volume                     2305.3(5)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      298(2)
_diffrn_measurement_device_type  'Beamline B2, Hasylab'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     1.131406
_diffrn_source                   synchrotron
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.899
_exptl_crystal_density_method    'not measured'
_pd_char_colour                  white
_pd_char_particle_morphology     plates
_pd_meas_2theta_range_inc        0.002999
_pd_meas_2theta_range_max        50.01700
_pd_meas_2theta_range_min        5.51800
_pd_meas_number_of_points        14834
_pd_meas_scan_method             step
_pd_proc_2theta_range_inc        0.002999
_pd_proc_2theta_range_max        50.0227
_pd_proc_2theta_range_min        5.5237
_pd_proc_info_data_reduction     -
_pd_proc_info_excluded_regions   -
_pd_proc_ls_background_function  'background points'
_pd_proc_ls_pref_orient_corr     '                                    'none''
_pd_proc_ls_profile_function     pseudo-Voigt
_pd_proc_ls_prof_R_factor        8.4764
_pd_proc_ls_prof_wR_expected     6.7584
_pd_proc_ls_prof_wR_factor       11.0099
_pd_proc_wavelength              1.131406
_pd_spec_mounting                '                     'glass capillary''
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_ls_goodness_of_fit_all   1.67
_refine_ls_hydrogen_treatment    none
_refine_ls_number_parameters     109
_refine_ls_number_reflns         562
_refine_ls_number_restraints     122
_refine_ls_R_I_factor            6.4717
_refine_ls_shift/su_max          0.02
_cod_data_source_file            c4dt00262h1.cif
_cod_data_source_block           global
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' 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 7030805--7030809.cif.
;
_cod_original_cell_volume        2305.2(3)
_cod_database_code               7030806
_pd_proc_ls_prof_cr_factor       16.4706
_pd_proc_ls_prof_cwr_factor      17.9641
_pd_proc_ls_prof_cwr_expected    11.0272
_pd_proc_ls_prof_chi2            2.6539
_pd_proc_ls_prof_echi2           2.7472