((DABCO).ZnGe(HPO4)3: The First Zinco-Germanophosphate with a Unique Asymmetric Cage
Jianmin Li; Yanxiong Ke; Yugen Zhang; Gaofei He; Zheng Jiang; Masayoshi Nishiura; Tsuneo Imamoto; Journal of the American Chemical Society 122 (2000) 6110–6111; doi:10.1021/ja000107m

data_4116053
_publ_section_title
;
 ((DABCO).ZnGe(HPO4)3: The First Zinco-Germanophosphate with a Unique
 Asymmetric Cage
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              6110
_journal_page_last               6111
_journal_paper_doi               10.1021/ja000107m
_journal_volume                  122
_journal_year                    2000
_chemical_formula_sum            'C6 H15 Ge N2 O12 P3 Zn'
_chemical_formula_weight         538.08
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                97.96(3)
_cell_angle_beta                 114.87(3)
_cell_angle_gamma                107.67(2)
_cell_formula_units_Z            2
_cell_length_a                   9.982(6)
_cell_length_b                   10.000(1)
_cell_length_c                   9.576(4)
_cell_measurement_temperature    288.2
_cell_volume                     786.2(7)
_computing_cell_refinement       PROCESS
_computing_data_collection       PROCESS
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR97
_diffrn_detector_area_resol_mean 0.010000
_diffrn_measured_fraction_theta_full 0.7939
_diffrn_measured_fraction_theta_max 0.7939
_diffrn_measurement_device_type  'Rigaku RAXIS-II Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            2858
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    3.809
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.273
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.550
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.350
_refine_diff_density_max         1.31
_refine_diff_density_min         -1.70
_refine_ls_extinction_coef       0.12(1)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 gaussian isotropic'
_refine_ls_goodness_of_fit_ref   3.192
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     227
_refine_ls_number_reflns         2799
_refine_ls_R_factor_gt           0.0685
_refine_ls_shift/su_max          0.0079
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w =3D 1/[\s^2^(Fo) + 0.00123|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1251
_reflns_number_gt                2799
_reflns_number_total             2858
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja000107m.cif
_cod_data_source_block           ZnGePO4
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C6 H15 Ge N2 O12 P3 Zn '
_cod_database_code               4116053