Crystal structures and vibrational and solid-state (CPMAS) NMR spectroscopic studies in the tris(triphenylphosphine)-copper(I) and -silver(I) formate systems
Bowmaker, Graham A.; Hanna, John V.; Healy, Peter C.; Reid, Jason C.; Rickard, Clifton E. F.; White, Allan H.; Journal of the Chemical Society, Dalton Transactions  (2000) 753–; doi:10.1039/a908427d

data_7009072
_publ_section_title
;
 Crystal structures and vibrational and solid-state (CPMAS) NMR
 spectroscopic studies in the tris(triphenylphosphine)-copper(I) and
 -silver(I) formate systems
;
_journal_issue                   5
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              753
_journal_paper_doi               10.1039/a908427d
_journal_year                    2000
_chemical_formula_analytical     'C56 H48 Ag O4 P3'
_chemical_formula_moiety         '[Ag(PPh3)3O2CH].HCO2H'
_chemical_formula_structural     '[(Ph3P)3Ag(OCHO)].HCOOH'
_chemical_formula_sum            'C56 H48 Ag O4 P3'
_chemical_formula_weight         985.79
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00000
_cell_angle_beta                 94.93(4)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   15.960(10)
_cell_length_b                   22.24(2)
_cell_length_c                   13.881(6)
_cell_measurement_reflns_used    8
_cell_measurement_temperature    293
_cell_measurement_theta_max      15.1
_cell_measurement_theta_min      9.2
_cell_volume                     4909(6)
_computing_cell_refinement       'Enraf Nonius software'
_computing_data_collection       'Enraf Nonius software'
_computing_data_reduction        xtal
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
_computing_structure_refinement  'xtal CRYLSQ'
_computing_structure_solution    xtal
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type  CAD4
_diffrn_measurement_method       '2\q-\w scans'
_diffrn_radiation_detector       'single counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_sigmaI/netI    0
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            11244
_diffrn_reflns_reduction_process 'perpendicular monochr Lp'
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.57
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  3600
_diffrn_standards_number         8
_exptl_absorpt_coefficient_mu    .547
_exptl_absorpt_correction_T_max  0.91
_exptl_absorpt_correction_T_min  0.84
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
 XTAL absorb                 
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.334
_exptl_crystal_description       prism
_exptl_crystal_F_000             2032
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.20
_refine_diff_density_max         .667
_refine_diff_density_min         -.407
_refine_ls_extinction_coef       .00000
_refine_ls_goodness_of_fit_all   1.392
_refine_ls_goodness_of_fit_ref   1.838
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           atomblock
_refine_ls_number_constraints    0
_refine_ls_number_parameters     669
_refine_ls_number_reflns         4612
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          .129
_refine_ls_R_factor_gt           .058
_refine_ls_shift/su_max          .084
_refine_ls_shift/su_mean         .002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         .072
_refine_ls_wR_factor_ref         .058
_reflns_d_resolution_high        .77
_reflns_d_resolution_low         12.9
_reflns_Friedel_coverage         0
_reflns_limit_h_max              20
_reflns_limit_h_min              -20
_reflns_limit_k_max              28
_reflns_limit_k_min              0
_reflns_limit_l_max              18
_reflns_limit_l_min              0
_reflns_number_gt                4612
_reflns_number_total             11244
_reflns_threshold_expression     'I    > 3.00 sig(I   )'
_cod_data_source_file            a908427d.txt
_cod_data_source_block           pnagf
_cod_original_sg_symbol_Hall     -p_2yn
_cod_original_sg_symbol_H-M      P_1_21/n_1
_cod_original_formula_sum        'C56 H48 Ag1 O4 P3'
_cod_database_code               7009072