Synthesis and real structure of RUB-11, a novel high-density silica zeolite based on magadiite layers
Grosskreuz, Isabel; Krysiak, Yaşar; Gies, Hermann; Mugnaioli, Enrico; Marler, Bernd; New Journal of Chemistry 48 (2024) 4030–4042; doi:10.1039/D3NJ03424K

data_7062985
_publ_section_title
;
 Synthesis and real structure of RUB-11, a novel high-density silica
 zeolite based on magadiite layers
;
_journal_issue                   9
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              4030
_journal_page_last               4042
_journal_paper_doi               10.1039/D3NJ03424K
_journal_volume                  48
_journal_year                    2024
_chemical_formula_moiety         'O30 Si15'
_chemical_formula_structural     Si15O30
_chemical_formula_sum            'O30 Si15'
_chemical_formula_weight         900.84
_chemical_name_common            RUB-11
_chemical_name_systematic        RUB-11
_space_group_IT_number           7
_space_group_name_Hall           'P -2yc'
_space_group_name_H-M_alt        'P 1 c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P -2yc'
_symmetry_space_group_name_H-M   'P 1 c 1'
_audit_update_record
;
2023-07-02 deposited with the CCDC.	2024-01-26 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 98.372(7)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   7.3929(6)
_cell_length_b                   7.3942(4)
_cell_length_c                   26.1786(13)
_cell_measurement_temperature    293
_cell_volume                     1415.79(16)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      293
_diffrn_detector                 BRAUN
_diffrn_detector_area_resol_mean 6\%theta
_diffrn_detector_type            'Position sensitive detector'
_diffrn_measurement_device_type  'Siemens D5000'
_diffrn_measurement_method       'Debye-Scherrer Geometry'
_diffrn_radiation_monochromator  'Ge (111)'
_diffrn_radiation_type           'Cu K\a'
_diffrn_source                   'X-ray tube'
_diffrn_source_target            Cu
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.114
_exptl_crystal_description       Powder
_exptl_crystal_recrystallization_method Hydrothermal
_pd_char_colour                  colourless
_pd_char_particle_morphology     plate-like
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.007902
_pd_meas_2theta_range_max        89.99610
_pd_meas_2theta_range_min        5.04740
_pd_meas_number_of_points        10754
_pd_meas_scan_method             cont
_pd_proc_2theta_range_inc        0.007902
_pd_proc_2theta_range_max        89.9828
_pd_proc_2theta_range_min        5.0341
_pd_proc_ls_background_function  'Linear interpolation between bgrd. points'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     'Thompson-Cox-Hastings pseudo-Voigt function'
_pd_proc_ls_prof_R_factor        4.0932
_pd_proc_ls_prof_wR_expected     1.8284
_pd_proc_ls_prof_wR_factor       6.1468
_pd_proc_wavelength              1.540600
_pd_spec_mounting                ' ?'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_ls_goodness_of_fit_all   3.3618
_refine_ls_number_parameters     134
_refine_ls_number_reflns         1303
_refine_ls_number_restraints     180
_refine_ls_R_I_factor            3.5417
_cod_data_source_file            d3nj03424k2.cif
_cod_data_source_block           RUB-11
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 7062985.cif.
;
_cod_original_cell_volume        1415.8(1)
_cod_original_sg_symbol_H-M      'P c'
_cod_database_code               7062985
_pd_proc_ls_prof_cr_factor       9.7156
_pd_proc_ls_prof_cwr_factor      12.1078
_pd_proc_ls_prof_cwr_expected    3.6016
_pd_proc_ls_prof_chi2            11.3019
_pd_proc_ls_prof_echi2           11.3708