Synthesis and Structure Determination of a New Microporous Zeolite with Large Cavities Connected by Small Pores
Manuel Hernández-Rodríguez; Jose L. Jordá; Fernando Rey; Avelino Corma; Journal of the American Chemical Society 134 (2012) 13232–13235; doi:10.1021/ja306013k

data_4118508
_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
;
 Synthesis and Structure Determination of a New Microporous Zeolite with
 Large Cavities Connected by Small Pores
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              13232
_journal_page_last               13235
_journal_paper_doi               10.1021/ja306013k
_journal_volume                  134
_journal_year                    2012
_chemical_formula_sum            'Ge0.1755 O2 Si0.8245'
_chemical_formula_weight         67.90
_chemical_name_common            'Zeolite ITQ-49'
_chemical_name_systematic        ' ?'
_space_group_IT_number           71
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            92
_cell_length_a                   19.6005(8)
_cell_length_b                   18.3272(7)
_cell_length_c                   16.5333(6)
_cell_measurement_temperature    303
_cell_volume                     5939.1(4)
_computing_cell_refinement       FullProf
_computing_data_collection       'X-Pert software'
_computing_data_reduction        'FullProf '
_computing_molecular_graphics    Diamond
_computing_publication_material  'Fullprof and Diamond'
_computing_structure_refinement  'FullProf '
_computing_structure_solution    FOCUS
_diffrn_ambient_temperature      303
_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_radiation_wavelength     1.5418
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_target            Cu
_exptl_crystal_colour            white
_exptl_crystal_description       powder
_pd_meas_2theta_range_inc        0.017000
_pd_meas_2theta_range_max        74.98600
_pd_meas_2theta_range_min        3.00800
_pd_meas_number_of_points        4235
_pd_meas_scan_method             cont
_pd_proc_2theta_range_inc        0.017000
_pd_proc_2theta_range_max        75.0202
_pd_proc_2theta_range_min        3.0422
_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        2.9011
_pd_proc_ls_prof_wR_expected     1.6058
_pd_proc_ls_prof_wR_factor       3.7955
_pd_proc_wavelength              1.541800
_refine_ls_number_parameters     79
_refine_ls_number_reflns         1970
_refine_ls_number_restraints     29
_refine_ls_R_I_factor            5.7374
_cod_data_source_file            ja306013k_si_002.cif
_cod_data_source_block           ITQ49
_cod_database_code               4118508
_pd_proc_ls_prof_cr_factor       10.7235
_pd_proc_ls_prof_cwr_factor      9.7569
_pd_proc_ls_prof_cwr_expected    4.1278
_pd_proc_ls_prof_chi2            5.5870
_pd_proc_ls_prof_echi2           5.6982