Solution and mechanochemical syntheses, and spectroscopic and structural studies in the silver(i) (bi-)carbonate: triphenylphosphine system.
Bowmaker, Graham A.; Effendy,; Hanna, John V.; Healy, Peter C.; King, Scott P.; Pettinari, Claudio; Skelton, Brian W.; White, Allan H.; Dalton transactions (Cambridge, England : 2003) 40 (2011) 7210–7218; doi:10.1039/c1dt10416k

data_7016193
_publ_section_title
;
 Solution and mechanochemical syntheses, and spectroscopic and
 structural studies in the silver(i) (bi-)carbonate: triphenylphosphine
 system.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7210
_journal_page_last               7218
_journal_paper_doi               10.1039/c1dt10416k
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C72 H60 Ag P4, 2(C2 H6 O),C H O3, 3(H2 O)'
_chemical_formula_sum            'C77 H79 Ag O8 P4'
_chemical_formula_weight         1364.15
_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_date             2010-08-13T15:00:35-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 108.315(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.2112(5)
_cell_length_b                   20.6996(12)
_cell_length_c                   20.3860(13)
_cell_measurement_reflns_used    40487
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      39.8352
_cell_measurement_theta_min      2.8623
_cell_volume                     7295.5(7)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET)
(compiled Nov 6 2009,16:24:50)
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET)
(compiled Nov 6 2009,16:24:50)
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET)
(compiled Nov 6 2009,16:24:50)
;
_computing_molecular_graphics    'OrtepII (Johnson, C. K. (1976)'
_computing_publication_material  'WinGX Farrugia, L. J. (1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.0009
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur diffractometer'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_UB_11      0.0147246042
_diffrn_orient_matrix_UB_12      0.0224465949
_diffrn_orient_matrix_UB_13      -0.0189493378
_diffrn_orient_matrix_UB_21      -0.0175714692
_diffrn_orient_matrix_UB_22      -0.0176731252
_diffrn_orient_matrix_UB_23      -0.0307262528
_diffrn_orient_matrix_UB_31      -0.0340562341
_diffrn_orient_matrix_UB_32      0.0188455402
_diffrn_orient_matrix_UB_33      -0.006184146
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0563
_diffrn_reflns_av_unetI/netI     0.0524
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            158838
_diffrn_reflns_theta_full        39.75
_diffrn_reflns_theta_max         39.95
_diffrn_reflns_theta_min         3
_exptl_absorpt_coefficient_mu    0.416
_exptl_absorpt_correction_T_max  0.946
_exptl_absorpt_correction_T_min  0.816
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET)
(compiled Nov 6 2009,16:24:50)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.241
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             2848
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.21
_refine_diff_density_max         2.449
_refine_diff_density_min         -0.579
_refine_diff_density_rms         0.132
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.982
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     468
_refine_ls_number_reflns         22140
_refine_ls_number_restraints     42
_refine_ls_restrained_S_all      0.986
_refine_ls_R_factor_all          0.0777
_refine_ls_R_factor_gt           0.0506
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0886P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1403
_refine_ls_wR_factor_ref         0.1487
_reflns_number_gt                15154
_reflns_number_total             22140
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            c1dt10416k.txt
_cod_data_source_block           gb1050b
_cod_original_sg_symbol_Hall     -c_2yc
_cod_database_code               7016193