One-step synthesis, characterisation and properties of core/shell silicogermanate zeotype crystals
Attfield, Martin P.; Al-Ebini, Yousef; Hill, Patrick; Journal of Materials Chemistry 20 (2010) 8686–; doi:10.1039/c0jm01429j

data_7212933
_publ_section_title
;
 One-step synthesis, characterisation and properties of core/shell
 silicogermanate zeotype crystals
;
_journal_issue                   39
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              8686
_journal_paper_doi               10.1039/c0jm01429j
_journal_volume                  20
_journal_year                    2010
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         '2(Ge3.89 Si1.11 O10), C2 N, O'
_chemical_formula_sum            'C8 Ge31.14 N4.16 O84 Si8.86'
_chemical_formula_weight         4008.49
_chemical_name_systematic
;
?
;
_space_group_IT_number           128
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      128
_symmetry_space_group_name_Hall  '-P 4 2n'
_symmetry_space_group_name_H-M   'P 4/m n c'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2009-10-20T17:21:46-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   12.3484(3)
_cell_length_b                   12.3484(3)
_cell_length_c                   14.3979(5)
_cell_measurement_reflns_used    2580
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.91
_cell_measurement_wavelength     0.71073
_cell_volume                     2195.43(11)
_computing_cell_refinement
"'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, R.W.W., 1998)"
_computing_data_collection       'COLLECT (Hooft, R.W.W., 1998)'
_computing_data_reduction
"'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, R.W.W., 1998)"
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXs-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type
'Bruker-Nonius 95mm CCD camera on \k-goniostat'
_diffrn_measurement_method       '\f & \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'Bruker-Nonius FR591 rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0372
_diffrn_reflns_av_unetI/netI     0.025
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            11355
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.3
_exptl_absorpt_coefficient_mu    10.731
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_correction_T_min  0.288
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS V2.10 (Sheldrick, G.M., 2003)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    3.03
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Rod
_exptl_crystal_F_000             1869.2
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.735
_refine_diff_density_min         -0.531
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.124
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     111
_refine_ls_number_reflns         1314
_refine_ls_number_restraints     28
_refine_ls_restrained_S_all      1.114
_refine_ls_R_factor_all          0.0362
_refine_ls_R_factor_gt           0.0242
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0140P)^2^+7.1308P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0547
_refine_ls_wR_factor_ref         0.0614
_reflns_number_gt                955
_reflns_number_total             1314
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0jm01429j.txt
_cod_data_source_block           317
_cod_database_code               7212933