New Pillared Layered Gallium Phosphonates in the Gallium/1,2-Ethylenediphosphonic Acid System
Martine Bujoli-Doeuff; Michel Evain; Pascal Janvier; Dominique Massiot; Abraham Clearfield; Zhehong Gan; Bruno Bujoli; Inorganic Chemistry 40 (2001) 6694–6698; doi:10.1021/ic010588q

data_4320706
_publ_section_title
;
 New Pillared Layered Gallium Phosphonates in the
 Gallium/1,2-Ethylenediphosphonic Acid System
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6694
_journal_page_last               6698
_journal_paper_doi               10.1021/ic010588q
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C3 H6 Ga2 O9 P3'
_chemical_formula_weight         418.4
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                91.341(11)
_cell_angle_beta                 101.400(10)
_cell_angle_gamma                90.857(10)
_cell_formula_units_Z            2
_cell_length_a                   5.1480(4)
_cell_length_b                   8.0354(7)
_cell_length_c                   12.3827(11)
_cell_volume                     501.88(8)
_diffrn_measurement_device       'imaging plate system'
_diffrn_measurement_device_type  'IPDS Stoe'
_diffrn_measurement_method       '??integration method??'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0418
_diffrn_reflns_av_sigmaI/netI    0.0300
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            8253
_diffrn_reflns_theta_max         27.94
_diffrn_reflns_theta_min         2.54
_exptl_absorpt_coefficient_mu    5.8822
_exptl_absorpt_correction_T_max  0.5511
_exptl_absorpt_correction_T_min  0.3487
_exptl_absorpt_correction_type   gaussian
_exptl_crystal_density_diffrn    2.768
_exptl_crystal_F_000             406
_refine_diff_density_max         0.66
_refine_diff_density_min         -0.52
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   0.98
_refine_ls_goodness_of_fit_ref   1.06
_refine_ls_number_parameters     155
_refine_ls_number_reflns         2190
_refine_ls_R_factor_all          0.0352
_refine_ls_R_factor_gt           0.0240
_refine_ls_shift/su_max          0.0007
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/(\s^2^(I)+0.001024I^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0513
_refine_ls_wR_factor_ref         0.0530
_reflns_limit_h_max              6
_reflns_limit_h_min              -6
_reflns_limit_k_max              10
_reflns_limit_k_min              -10
_reflns_limit_l_max              16
_reflns_limit_l_min              0
_reflns_number_observed          1770
_reflns_number_total             2190
_reflns_observed_criterion       2
_cod_data_source_file            ic010588q.cif
_cod_data_source_block           Ga2P3O9C3H6
_cod_depositor_comments
;
The following automatic conversions were performed:

'_diffrn_radiation_probe' value 'X-ray' changed to 'x-ray' according
to the built-in table from CIF Core dictionary named 'cif_core.dic'
version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        501.88(7)
_cod_original_formula_sum        'Ga2 P3 O9 C3 H6'
_cod_database_code               4320706