Novel Chelate Ring-Opening Induced by Silver(I) of Five-Coordinate Palladium(II) and Platinum(II) Complexes Containing Tripodal Polyphosphines
D. Fernández-Anca; M. Inés García-Seijo; Alfonso Castiñeiras; M. Esther García-Fernández; Inorganic Chemistry 47 (2008) 5685–5695; doi:10.1021/ic702419r

data_4305191
_publ_section_title
;
Novel Chelate Ring-Opening Induced by Silver(I) of Five-Coordinate
Palladium(II) and Platinum(II) Complexes Containing Tripodal Polyphosphines
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5685
_journal_page_last               5695
_journal_paper_doi               10.1021/ic702419r
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C85 H84 Ag2 Cl9 O P8 Pt2'
_chemical_formula_weight         2294.25
_chemical_name_systematic
;
 [Pt2Ag2(PP3)2Cl5]Cl.CHCl3.H2O
;
_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_method           SHELXL-97
_cell_angle_alpha                65.977(5)
_cell_angle_beta                 81.592(5)
_cell_angle_gamma                77.054(5)
_cell_formula_units_Z            2
_cell_length_a                   16.144(5)
_cell_length_b                   18.459(6)
_cell_length_c                   18.548(6)
_cell_measurement_reflns_used    990
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.24
_cell_measurement_theta_min      2.93
_cell_volume                     4911(3)
_computing_cell_refinement       'Bruker Smart'
_computing_data_collection       'Bruker Smart'
_computing_data_reduction        'Bruker Shelxtl'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0540
_diffrn_reflns_av_sigmaI/netI    0.0650
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            54280
_diffrn_reflns_theta_full        26.49
_diffrn_reflns_theta_max         26.49
_diffrn_reflns_theta_min         1.30
_exptl_absorpt_coefficient_mu    3.648
_exptl_absorpt_correction_T_max  0.3617
_exptl_absorpt_correction_T_min  0.2628
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   Sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.552
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2250
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.35
_refine_diff_density_max         3.159
_refine_diff_density_min         -1.483
_refine_diff_density_rms         0.219
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.126
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     964
_refine_ls_number_reflns         20002
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.126
_refine_ls_R_factor_all          0.1023
_refine_ls_R_factor_gt           0.0619
_refine_ls_shift/su_max          0.312
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1022P)^2^+36.1851P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1994
_refine_ls_wR_factor_ref         0.2230
_reflns_number_gt                13203
_reflns_number_total             20002
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic702419r-file003.cif
_cod_data_source_block           ptagcl
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4305191