Reactivity of [M(C∧P)(S2CNMe2)] [M = Pt, Pd; C∧P = CH2−C6H4−P(o-tolyl)2-κC,P] toward Mercury(II) Carboxylates. X-ray Molecular Structures of [Pt(C∧P)(S2CNMe2)(O2CCF3)Hg(O2CCF3)] and [Pd(S2CNMe2){μ-P(o-tolyl)2−C6H4−CH2−}(μ-O2CCH3)Hg(O2CCH3)]
Forniés, Juan; Martín, Antonio; Sicilia, Violeta; Villarroya, Pablo; Organometallics 19 (2000) 1107–; doi:10.1021/om990856g

data_4077690
_publ_section_title
;
 Reactivity of [M(C&#x2227;P)(S2CNMe2)] [M = Pt, Pd; C&#x2227;P =
 CH2&#x2212;C6H4&#x2212;P(o-tolyl)2-\kC,P] toward Mercury(II)
 Carboxylates. X-ray Molecular Structures of
 [Pt(C&#x2227;P)(S2CNMe2)(O2CCF3)Hg(O2CCF3)] and
 [Pd(S2CNMe2){\m-P(o-tolyl)2&#x2212;C6H4&#x2212;CH2&#x2212;}(\m-O2CCH3)Hg(O2CCH3)]
;
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1107
_journal_paper_doi               10.1021/om990856g
_journal_volume                  19
_journal_year                    2000
_chemical_formula_sum            'C28 H34 Hg N O5 P Pd S2'
_chemical_formula_weight         866.64
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_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                 101.310(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.0120(10)
_cell_length_b                   35.069(5)
_cell_length_c                   11.3550(10)
_cell_measurement_temperature    200(2)
_cell_volume                     3128.5(7)
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_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  0.0388
_diffrn_reflns_av_sigmaI/netI    0.0343
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            6162
_diffrn_reflns_theta_max         24.74
_diffrn_reflns_theta_min         2.17
_exptl_absorpt_coefficient_mu    5.697
_exptl_crystal_density_diffrn    1.840
_exptl_crystal_F_000             1688
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.42
_refine_diff_density_max         0.692
_refine_diff_density_min         -0.818
_refine_diff_density_rms         0.115
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.102
_refine_ls_goodness_of_fit_obs   1.134
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         4605
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.533
_refine_ls_restrained_S_obs      1.134
_refine_ls_R_factor_all          0.0484
_refine_ls_R_factor_obs          0.0297
_refine_ls_shift/esd_max         0.000
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0142P)^2^+13.4187P] where P=(Fo^2^+2Fc^2^)/3''
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0870
_refine_ls_wR_factor_obs         0.0580
_reflns_number_observed          4018
_reflns_number_total             4875
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            om990856g.cif
_cod_data_source_block           3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0142P)^2^+13.4187P] 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^)+(0.0142P)^2^+13.4187P] 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               4077690