Dinuclear Phosphido-Bridged Derivatives of Platinum(I). Synthesis and Characterization of [Pt2(μ-PBut2)2(PBut2H)(L)] [L = PBut2R (R = H, Li, n-Heptyl), CO, η2-CS2]
Piero Leoni; Giuseppina Chiaradonna; Marco Pasquali; Fabio Marchetti; Inorganic Chemistry 38 (1999) 253–259; doi:10.1021/ic9811392

data_4321751
_publ_contact_author
;
        Leoni, Piero
        Scuola Normale Superiore
        Piazza dei Cavalieri, 7
        56100 Pisa
        Italy
;
_publ_contact_author_email       leoni@dcci.unipi.it
_publ_contact_author_fax         39(50)20237
_publ_contact_author_phone       39(50)918209
_publ_section_title
;
 Dinuclear Phosphido-Bridged Derivatives of Platinum(I). Synthesis and
 Characterization of [Pt2(\m-PBut2)2(PBut2H)(L)] [L = PBut2R (R = H, Li,
 n-Heptyl), CO, \h2-CS2]
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              253
_journal_page_last               259
_journal_paper_doi               10.1021/ic9811392
_journal_volume                  38
_journal_year                    1999
_chemical_formula_structural     Pt2(\m-P(t-Bu)2)2(P(t-Bu)2H)(CO)
_chemical_formula_sum            'C25 H55 O P3 Pt2'
_chemical_formula_weight         854.78
_chemical_name_common
bis(\m-di-t-butylphosphido)-(di-t-butylphosphine)-carbonyl-di-platinum(i)
_chemical_name_systematic
; 
 ? 
;
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 93.78(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.0910(12)
_cell_length_b                   30.527(4)
_cell_length_c                   11.903(2)
_cell_measurement_reflns_used    26
_cell_measurement_temperature    297(2)
_cell_measurement_theta_max      24.902
_cell_measurement_theta_min      24.678
_cell_volume                     3296.1(8)
_computing_cell_refinement       'Siemens XSCANS'
_computing_data_collection       'Siemens XSCANS'
_computing_data_reduction        'Siemens XSCANS'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      297(2)
_diffrn_measurement_device       'Siemens P4'
_diffrn_measurement_method       '2\q/\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0529
_diffrn_reflns_av_sigmaI/netI    0.0561
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -1
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            6518
_diffrn_reflns_theta_max         24.00
_diffrn_reflns_theta_min         2.17
_diffrn_standards_decay_%        5.59
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    8.638
_exptl_absorpt_correction_T_max  0.1874
_exptl_absorpt_correction_T_min  0.0842
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.722
_exptl_crystal_description       Prismatic
_exptl_crystal_F_000             1656
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.34
_refine_diff_density_max         0.867
_refine_diff_density_min         -1.541
_refine_diff_density_rms         0.192
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.053
_refine_ls_goodness_of_fit_obs   1.095
_refine_ls_matrix_type           full
_refine_ls_number_parameters     299
_refine_ls_number_reflns         4746
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.094
_refine_ls_restrained_S_obs      1.095
_refine_ls_R_factor_all          0.0676
_refine_ls_R_factor_obs          0.0378
_refine_ls_shift/esd_max         0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0452P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0965
_refine_ls_wR_factor_obs         0.0826
_reflns_number_observed          3857
_reflns_number_total             5171
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic9811392.cif
_cod_data_source_block           rip
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0452P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0452P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_database_code               4321751