Synthesis of a new organically templated zeolite-like zirconogermanate (C4N2H12)[ZrGe4O10F2] with cavansite topologyElectronic supplementary information (ESI) available: tables of crystal data, including atomic coordinates, selected bond lengths and angles, and thermal parameters, and also a SEM image of FDZG-1. See http://www.rsc.org/suppdata/jm/b2/b209801f/
Liu, Zhicheng; Weng, Linhong; Zhou, Yaming; Chen, Zhenxia; Zhao, Dongyuan; Journal of Materials Chemistry 13 (2003) 308–; doi:10.1039/b209801f

data_7204539
_publ_section_title
;
 Synthesis of a new organically templated zeolite-like zirconogermanate
 (C4N2H12)[ZrGe4O10F2] with cavansite topologyElectronic supplementary
 information (ESI) available: tables of crystal data, including atomic
 coordinates, selected bond lengths and angles, and thermal parameters,
 and also a SEM image of FDZG-1. See
 http://www.rsc.org/suppdata/jm/b2/b209801f/
;
_journal_issue                   2
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              308
_journal_paper_doi               10.1039/b209801f
_journal_volume                  13
_journal_year                    2003
_chemical_formula_sum            'C4 H12 F2 Ge4 N2 O10 Zr'
_chemical_formula_weight         667.74
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 120.720(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.725(5)
_cell_length_b                   10.149(3)
_cell_length_c                   9.547(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1476.4(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_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  0.0191
_diffrn_reflns_av_sigmaI/netI    0.0176
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            3590
_diffrn_reflns_theta_full        27.14
_diffrn_reflns_theta_max         27.14
_diffrn_reflns_theta_min         2.41
_exptl_absorpt_coefficient_mu    8.808
_exptl_absorpt_correction_T_max  0.6671
_exptl_absorpt_correction_T_min  0.5392
_exptl_crystal_density_diffrn    3.004
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1264
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.234
_refine_diff_density_min         -1.118
_refine_diff_density_rms         0.216
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.171
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     123
_refine_ls_number_reflns         1619
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.171
_refine_ls_R_factor_all          0.0298
_refine_ls_R_factor_gt           0.0284
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0401P)^2^+11.3650P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0772
_refine_ls_wR_factor_ref         0.0780
_reflns_number_gt                1550
_reflns_number_total             1619
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b209801f.txt
_cod_data_source_block           FDZG-1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        1476.4(7)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7204539