A Zeolitic Structure (ITQ-34) with Connected 9- and 10-Ring Channels Obtained with Phosphonium Cations as Structure Directing Agents
Avelino Corma; Maria J. Diaz-Cabanas; Jose L. Jorda; Fernando Rey; German Sastre; Karl G. Strohmaier; Journal of the American Chemical Society 130 (2008) 16482–16483; doi:10.1021/ja806903c

data_4108798
_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
;
 A Zeolitic Structure (ITQ-34) with Connected 9- and 10-Ring Channels
 Obtained with Phosphonium Cations as Structure Directing Agents
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              16482
_journal_page_last               16483
_journal_paper_doi               10.1021/ja806903c
_journal_volume                  130
_journal_year                    2008
_chemical_formula_sum            'Ge0.09 O2 Si0.91'
_chemical_formula_weight         64.3
_chemical_name_common            'Zeolite ITQ-34'
_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            112
_cell_length_a                   11.5086(5)
_cell_length_b                   22.1730(9)
_cell_length_c                   25.2558(11)
_cell_measurement_temperature    298
_cell_volume                     6444.8(5)
_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    FOCUS
_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_crystal_colour            white
_exptl_crystal_density_diffrn    1.856
_exptl_crystal_density_meas      1.86
_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        74.9630
_pd_proc_2theta_range_min        4.9910
_pd_proc_ls_background_function  'Visually estimated'
_pd_proc_ls_pref_orient_corr
; 
Modified March's function
;
_pd_proc_ls_profile_function     Pseudo-Voigh
_pd_proc_ls_prof_R_factor        4.0241
_pd_proc_ls_prof_wR_expected     2.6844
_pd_proc_ls_prof_wR_factor       5.2441
_pd_proc_wavelength              1.540600
_refine_ls_number_parameters     87
_refine_ls_number_reflns         2453
_refine_ls_number_restraints     102
_refine_ls_R_I_factor            6.2573
_cod_data_source_file            ja806903c_si_002.cif
_cod_data_source_block           global
_cod_database_code               4108798
_pd_proc_ls_prof_cr_factor       12.5751
_pd_proc_ls_prof_cwr_factor      12.0376
_pd_proc_ls_prof_cwr_expected    6.1619
_pd_proc_ls_prof_chi2            3.8163
_pd_proc_ls_prof_echi2           3.8163