Reactivity of [M(C∧P)(acac-O,O‘)] [M = Pt, Pd; C∧P = CH2-C6H4-P(o-tolyl)2-κC,P; acac = 2,4-pentanedionato] toward HgX2(X = Br, I, CH3COO, CF3COO). New Polynuclear Complexes Containing Pt−Hg Bonds. Molecular Structures of [{Pt(C∧P)(acac-O,O‘)- HgBr(μ-Br)}2(μ-HgBr2)], an Unprecedented Square-Planar Bromomercurate Complex, and [{Pt(C∧P)(μ-O2CCH3)2Hg(μ3-acac2‒κC3,O)Hg(O2CCH3-κO)}· CHCl3]2, the First Complex Containing Asymmetric Dimercurated Acetylacetone
Ara, Irene; Falvello, Larry R.; Forniés, Juan; Sicilia, Violeta; Villarroya, Pablo; Organometallics 19 (2000) 3091–; doi:10.1021/om000223y

data_4077511
_publ_section_title
;
 Reactivity of [M(C&#x2227;P)(acac-O,O&#x2018;)] [M = Pt, Pd; C&#x2227;P =
 CH2-C6H4-P(o-tolyl)2-\kC,P; acac = 2,4-pentanedionato] toward HgX2(X =
 Br, I, CH3COO, CF3COO). New Polynuclear Complexes Containing Pt&#x2212;Hg
 Bonds. Molecular Structures of [{Pt(C&#x2227;P)(acac-O,O&#x2018;)-
 HgBr(\m-Br)}2(\m-HgBr2)], an Unprecedented Square-Planar Bromomercurate
 Complex, and
 [{Pt(C&#x2227;P)(\m-O2CCH3)2Hg(\m3-acac2--\kC3,O)Hg(O2CCH3-\kO)}&#x00B7;
 CHCl3]2, the First Complex Containing Asymmetric Dimercurated
 Acetylacetone
;
_journal_issue                   16
_journal_name_full               Organometallics
_journal_page_first              3091
_journal_paper_doi               10.1021/om000223y
_journal_volume                  19
_journal_year                    2000
_chemical_formula_sum            'C33 H36 Cl3 Hg2 O8 P Pt'
_chemical_formula_weight         1294.21
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_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
_cell_angle_alpha                77.150(10)
_cell_angle_beta                 75.740(10)
_cell_angle_gamma                68.390(10)
_cell_formula_units_Z            2
_cell_length_a                   10.4880(10)
_cell_length_b                   13.158(2)
_cell_length_c                   15.821(2)
_cell_measurement_temperature    200(2)
_cell_volume                     1946.2(5)
_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  0.0332
_diffrn_reflns_av_sigmaI/netI    0.0504
_diffrn_reflns_limit_h_max       1
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            7159
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.12
_exptl_absorpt_coefficient_mu    11.747
_exptl_crystal_density_diffrn    2.209
_exptl_crystal_F_000             1204
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.078
_refine_diff_density_min         -2.031
_refine_diff_density_rms         0.205
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.040
_refine_ls_goodness_of_fit_obs   1.094
_refine_ls_matrix_type           full
_refine_ls_number_parameters     414
_refine_ls_number_reflns         6204
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.052
_refine_ls_restrained_S_obs      1.094
_refine_ls_R_factor_all          0.0681
_refine_ls_R_factor_obs          0.0425
_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^)+(0.0446P)^2^+15.4141P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1011
_refine_ls_wR_factor_obs         0.0907
_reflns_number_observed          5062
_reflns_number_total             6678
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            om000223y.cif
_cod_data_source_block           4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0446P)^2^+15.4141P] 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^)+(0.0446P)^2^+15.4141P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1946.2(4)
_cod_database_code               4077511