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_7030809
_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](C7H18N)4'
_chemical_formula_moiety         'C28 H76 N4 O76 Si36'
_chemical_formula_sum            'C28 H76 N4 O76 Si36'
_chemical_formula_weight         2696.0
_chemical_name_common            RUB-48
_chemical_name_systematic        ' ?'
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            1
_cell_length_a                   7.369(1)
_cell_length_b                   22.559(3)
_cell_length_c                   13.993(2)
_cell_measurement_temperature    298
_cell_volume                     2326.2(6)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      298(2)
_diffrn_detector_type            'Braun PSD'
_diffrn_measurement_device_type  'Siemens D5000'
_diffrn_radiation_monochromator  Ge(111)
_diffrn_radiation_type           'Cu K\a1'
_diffrn_radiation_wavelength     1.5406
_diffrn_source                   'X-ray tube'
_diffrn_source_target            Cu
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.925
_exptl_crystal_density_method    'not measured'
_pd_char_colour                  white
_pd_char_particle_morphology     plates
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.007768
_pd_meas_2theta_range_max        94.98900
_pd_meas_2theta_range_min        3.04700
_pd_meas_number_of_points        11837
_pd_meas_scan_method             step
_pd_proc_2theta_range_inc        0.007768
_pd_proc_2theta_range_max        94.9682
_pd_proc_2theta_range_min        3.0262
_pd_proc_info_excluded_regions   0
_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        1.9540
_pd_proc_ls_prof_wR_expected     2.3640
_pd_proc_ls_prof_wR_factor       2.6671
_pd_proc_wavelength              1.540600
_pd_spec_mounting
'                               glass capillary'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_ls_goodness_of_fit_all   1.13
_refine_ls_hydrogen_treatment    none
_refine_ls_number_parameters     37
_refine_ls_number_reflns         686
_refine_ls_number_restraints     45
_refine_ls_R_I_factor            5.4923
_refine_ls_shift/su_max          0.02
_cod_data_source_file            c4dt00262h3.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        2326.2(4)
_cod_database_code               7030809
_pd_proc_ls_prof_cr_factor       26.4202
_pd_proc_ls_prof_cwr_factor      18.2707
_pd_proc_ls_prof_cwr_expected    16.1942
_pd_proc_ls_prof_chi2            1.2729
_pd_proc_ls_prof_echi2           1.2729