An open-framework silicogermanate regularly constructed from natrolite zeolite chains and Ge<sub>9</sub>O<sub>18</sub>(OH)<sub>4</sub> clusters.
Jo, Donghui; Choi, Wanuk; Shin, Jiho; Hong, Suk Bong; Dalton transactions (Cambridge, England : 2003) 47 (2018) 17122–17126; doi:10.1039/c8dt04175j

data_7048020
_publ_section_title
;
 An open-framework silicogermanate regularly constructed from natrolite
 zeolite chains and Ge<sub>9</sub>O<sub>18</sub>(OH)<sub>4</sub> clusters.
;
_journal_issue                   47
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17122
_journal_page_last               17126
_journal_paper_doi               10.1039/c8dt04175j
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'Si2.63 Ge5.88 O21 H2, C8 H24 N2'
_chemical_formula_sum            'C8 H26 Ge5.88 N2 O21 Si2.63'
_chemical_formula_weight         1014.60
_space_group_crystal_system      orthorhombic
_space_group_IT_number           66
_space_group_name_Hall           '-C 2 2c'
_space_group_name_H-M_alt        'C c c m'
_symmetry_space_group_name_Hall  '-C 2 2c'
_symmetry_space_group_name_H-M   'C c c m'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2018-09-21 deposited with the CCDC.
2018-11-12 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.895(3)
_cell_length_b                   20.421(4)
_cell_length_c                   20.281(4)
_cell_measurement_reflns_used    24276
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      21.129
_cell_measurement_theta_min      1.629
_cell_volume                     5340.6(19)
_computing_cell_refinement       'HKL3000sm (Otwinowski & Minor, 1997)'
_computing_data_collection       'PAL BL2D-SMDC Program'
_computing_data_reduction        'HKL3000sm (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    Mercury
_computing_publication_material  WinGX
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.904
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'MX225-HS CCD area detector'
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.620
_diffrn_reflns_av_R_equivalents  0.1410
_diffrn_reflns_av_unetI/netI     0.1904
_diffrn_reflns_Laue_measured_fraction_full 0.904
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            4224
_diffrn_reflns_point_group_measured_fraction_full 0.904
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        21.839
_diffrn_reflns_theta_max         21.129
_diffrn_reflns_theta_min         1.629
_diffrn_source                   synchrotron
_exptl_absorpt_coefficient_mu    4.548
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.881
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.524
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             3958
_exptl_crystal_size_max          0.010
_exptl_crystal_size_mid          0.000
_exptl_crystal_size_min          0.000
_refine_diff_density_max         1.710
_refine_diff_density_min         -3.314
_refine_diff_density_rms         0.360
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     199
_refine_ls_number_reflns         2272
_refine_ls_number_restraints     315
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.1983
_refine_ls_R_factor_gt           0.1031
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1792P)^2^+164.4099P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3090
_refine_ls_wR_factor_ref         0.3558
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1058
_reflns_number_total             2272
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt04175j2.cif
_cod_data_source_block           shelxl
_cod_depositor_comments          'Adding full bibliography for 7048020.cif.'
_cod_database_code               7048020
_shelx_estimated_absorpt_t_min   0.956
_shelx_estimated_absorpt_t_max   1.000
_shelxl_version_number           2014-3
_shelx_res_checksum              72845