Silver-Based Hybrid Materials from meta- or para-Phosphonobenzoic Acid: Influence of the Topology on Silver Release in Water.
Rueff, Jean-Michel; Perez, Olivier; Caignaert, Vincent; Hix, Gary; Berchel, Mathieu; Quentel, François; Jaffrès, Paul-Alain; Inorganic chemistry 54 (2015) 2152–; doi:10.1021/ic502395s

data_4342400
_publ_section_title
;
 Silver-Based Hybrid Materials from meta- or para-Phosphonobenzoic Acid:
 Influence of the Topology on Silver Release in Water.
;
_journal_issue                   5
_journal_name_full               'Inorganic chemistry'
_journal_page_first              2152
_journal_paper_doi               10.1021/ic502395s
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'C7 H4 Ag3 O5 P'
_chemical_formula_weight         522.7
_chemical_name_systematic        ' ?'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.558(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.9399(4)
_cell_length_b                   5.7694(2)
_cell_length_c                   22.9600(17)
_cell_measurement_temperature    293
_cell_volume                     918.38(9)
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 0.98
_diffrn_measured_fraction_theta_max 0.97
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0478
_diffrn_reflns_av_sigmaI/netI    0.0491
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            14385
_diffrn_reflns_theta_full        33.77
_diffrn_reflns_theta_max         35
_diffrn_reflns_theta_min         5.88
_exptl_absorpt_coefficient_mu    6.505
_exptl_absorpt_correction_T_max  0.9490
_exptl_absorpt_correction_T_min  0.4708
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    3.7803
_exptl_crystal_description       plate
_exptl_crystal_F_000             968
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.008
_refine_diff_density_max         2.25
_refine_diff_density_min         -2.30
_refine_ls_goodness_of_fit_gt    1.63
_refine_ls_goodness_of_fit_ref   1.40
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_constraints    0
_refine_ls_number_parameters     146
_refine_ls_number_reflns         4002
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0881
_refine_ls_R_factor_gt           0.0403
_refine_ls_shift/su_max          0.0010
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0001F^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0416
_refine_ls_wR_factor_ref         0.0471
_reflns_number_gt                2369
_reflns_number_total             4002
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            ic502395s_si_002.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_diffrn_radiation_probe' value 'X-ray' changed to 'x-ray' according
to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

 Adding full bibliography for 4342400.cif.
;
_cod_original_sg_symbol_Hall     -p_2ybc
_cod_original_formula_sum        'C7 H4 Ag3 O5 P1 '
_cod_database_code               4342400