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_7016192
_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         'C73 H60 Ag2 O3 P4,2(H2 O)'
_chemical_formula_sum            'C73 H64 Ag2 O5 P4'
_chemical_formula_weight         1360.86
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2010-06-15T08:55:44-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                88.890(4)
_cell_angle_beta                 82.094(3)
_cell_angle_gamma                62.430(4)
_cell_formula_units_Z            2
_cell_length_a                   12.1730(3)
_cell_length_b                   13.1340(6)
_cell_length_c                   21.6602(10)
_cell_measurement_reflns_used    13107
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.2591
_cell_measurement_theta_min      3.488
_cell_volume                     3036.7(2)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.29 (release 10-06-2008 CrysAlis171 .NET)
(compiled Jun 10 2008,16:49:55)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.32.29 (release 10-06-2008 CrysAlis171 .NET)
(compiled Jun 10 2008,16:49:55)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.29 (release 10-06-2008 CrysAlis171 .NET)
(compiled Jun 10 2008,16:49:55)
;
_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 10.4738
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.868
_diffrn_measurement_device_type  'Oxford Diffraction Gemini, Ruby ultra'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_UB_11      -0.0048029637
_diffrn_orient_matrix_UB_12      0.0214397698
_diffrn_orient_matrix_UB_13      0.022272158
_diffrn_orient_matrix_UB_21      0.0034805832
_diffrn_orient_matrix_UB_22      0.0248370354
_diffrn_orient_matrix_UB_23      -0.0205636991
_diffrn_orient_matrix_UB_31      -0.0584785913
_diffrn_orient_matrix_UB_32      0.0042629455
_diffrn_orient_matrix_UB_33      -0.0032507129
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.083
_diffrn_reflns_av_unetI/netI     0.1399
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            28935
_diffrn_reflns_theta_full        27
_diffrn_reflns_theta_max         29.43
_diffrn_reflns_theta_min         3.58
_exptl_absorpt_coefficient_mu    0.804
_exptl_absorpt_correction_T_max  0.965
_exptl_absorpt_correction_T_min  0.908
_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_density_diffrn    1.488
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1392
_exptl_crystal_size_max          0.1711
_exptl_crystal_size_mid          0.108
_exptl_crystal_size_min          0.0601
_refine_diff_density_max         2.419
_refine_diff_density_min         -1.244
_refine_diff_density_rms         0.155
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.931
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     757
_refine_ls_number_reflns         12361
_refine_ls_number_restraints     37
_refine_ls_restrained_S_all      0.936
_refine_ls_R_factor_all          0.1073
_refine_ls_R_factor_gt           0.0637
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0750P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.139
_refine_ls_wR_factor_ref         0.1579
_reflns_number_gt                8081
_reflns_number_total             12361
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            c1dt10416k.txt
_cod_data_source_block           gb1038
_cod_original_sg_symbol_Hall     -p_1
_cod_database_code               7016192