Synthesis and Characterization of an Aluminogermanate SU-46 with a Zeolite Structure
Shi, Lei; Christensen, Kirsten E.; Jansson, Kjell; Sun, Junliang; Zou, Xiaodong; Chemistry of Materials 19 (2007) 5973–; doi:10.1021/cm071790f

data_4001450
_publ_section_title
;
 Synthesis and Characterization of an Aluminogermanate SU-46 with a
 Zeolite Structure
;
_journal_issue                   24
_journal_name_full               'Chemistry of Materials'
_journal_page_first              5973
_journal_paper_doi               10.1021/cm071790f
_journal_volume                  19
_journal_year                    2007
_chemical_formula_moiety         'Al4 Ge6 O20, 4(C2 N1.5 H7.5)'
_chemical_formula_sum            'C8 H30 Al4 Ge6 N6 O20'
_chemical_formula_weight         1073.84
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           190
_space_group_name_Hall           'P -6c -2c'
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P -6c -2c'
_symmetry_space_group_name_H-M   'P -6 2 c'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            1
_cell_length_a                   7.5240(11)
_cell_length_b                   7.5240(11)
_cell_length_c                   14.746(3)
_cell_measurement_reflns_used    13733
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      40.9667
_cell_measurement_theta_min      4.1441
_cell_volume                     722.9(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.5467
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0406
_diffrn_reflns_av_sigmaI/netI    0.0233
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            24646
_diffrn_reflns_theta_full        41.02
_diffrn_reflns_theta_max         41.02
_diffrn_reflns_theta_min         4.17
_exptl_absorpt_coefficient_mu    6.373
_exptl_absorpt_correction_T_max  0.8318
_exptl_absorpt_correction_T_min  0.7010
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'XRED 1.09 (STOE & CIE, 1997a)'
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    2.467
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             524
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.711
_refine_diff_density_min         -1.202
_refine_diff_density_rms         0.137
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.01(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     39
_refine_ls_number_reflns         1625
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.090
_refine_ls_R_factor_all          0.0315
_refine_ls_R_factor_gt           0.0251
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0414P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0636
_refine_ls_wR_factor_ref         0.0647
_reflns_number_gt                1407
_reflns_number_total             1625
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cm071790f-file003.cif
_cod_data_source_block           p-62c
_cod_database_code               4001450