Rational Design and HT Techniques Allow the Synthesis of New IWR Zeolite Polymorphs
Angel Cantín; Avelino Corma; Maria J. Diaz-Cabanas; Jose L. Jordá; Manuel Moliner; Journal of the American Chemical Society 128 (2006) 4216–4217; doi:10.1021/ja0603599

data_4110502
_publ_contact_author_address
; 
        Prof. Avelino Corma
        Instituto de Tecnologia Quimica CSIC-UPV
        Universidad Politecnica de Valencia
        Avenida de los naranjos s/n
        46022 Valencia
        Spain
;
_publ_contact_author_email       acorma@itq.upv.es
_publ_contact_author_fax         '34 96 387 7809'
_publ_contact_author_name        'Avelino Corma'
_publ_contact_author_phone       '34 96 387 7800'
_publ_section_title
;
 Rational Design and HT Techniques Allow the Synthesis of New IWR Zeolite
 Polymorphs
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4216
_journal_page_last               4217
_journal_paper_doi               10.1021/ja0603599
_journal_volume                  128
_journal_year                    2006
_chemical_formula_sum            'O2 Si'
_chemical_formula_weight         60.086
_chemical_name_common            'Zeolite ITQ-24'
_chemical_name_systematic        IWR
_space_group_IT_number           38
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'A 2 -2'
_symmetry_space_group_name_H-M   'A m m 2'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            56
_cell_length_a                   12.4802(6)
_cell_length_b                   21.0374(10)
_cell_length_c                   13.4698(5)
_cell_measurement_temperature    298
_cell_volume                     3536.5(3)
_computing_cell_refinement       FullProf
_computing_data_collection       X'Pert-software
_computing_data_reduction        'FullProf '
_computing_molecular_graphics    'Materials Studio'
_computing_publication_material  'Fullprof and Materials Studio'
_computing_structure_refinement  'FullProf '
_computing_structure_solution    'starting from a model'
_diffrn_ambient_temperature      298
_diffrn_detector_type            X'Celerator
_diffrn_measurement_device_type  'X'Pert diffractometer'
_diffrn_measurement_method       Bragg-Brentano
_diffrn_radiation_monochromator  none
_diffrn_radiation_type           'Cu K\a'
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_target            Cu
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.5798
_exptl_crystal_density_meas      1.58
_exptl_crystal_density_method    picnometer
_exptl_crystal_description       powder
_pd_meas_2theta_range_inc        0.017000
_pd_meas_2theta_range_max        74.98000
_pd_meas_2theta_range_min        5.00800
_pd_meas_number_of_points        4117
_pd_meas_scan_method             cont
_pd_proc_2theta_range_inc        0.017000
_pd_proc_2theta_range_max        74.9603
_pd_proc_2theta_range_min        4.9883
_pd_proc_ls_background_function  'Visually estimated'
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_profile_function     Pseudo-Voigh
_pd_proc_ls_prof_R_factor        4.7277
_pd_proc_ls_prof_wR_expected     2.2343
_pd_proc_ls_prof_wR_factor       6.6391
_pd_proc_wavelength              1.540600
_refine_ls_goodness_of_fit_all   3.01
_refine_ls_number_parameters     83
_refine_ls_number_reflns         1203
_refine_ls_number_restraints     30
_refine_ls_R_I_factor            6.7843
_refine_ls_shift/su_max          0.03
_cod_data_source_file            ja0603599si20060125_023439.cif
_cod_data_source_block           global
_cod_database_code               4110502
_pd_proc_ls_prof_cr_factor       11.6990
_pd_proc_ls_prof_cwr_factor      12.2975
_pd_proc_ls_prof_cwr_expected    4.1385
_pd_proc_ls_prof_chi2            8.8298
_pd_proc_ls_prof_echi2           9.0229