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_4077510
_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            'C26 H27 Br3 Hg1.5 O2 P Pt'
_chemical_formula_weight         1138.15
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 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                 97.23(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   21.787(4)
_cell_length_b                   8.178(2)
_cell_length_c                   32.205(6)
_cell_measurement_temperature    153(2)
_cell_volume                     5692(2)
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153(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  0.0814
_diffrn_reflns_av_sigmaI/netI    0.1050
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            10072
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         2.14
_exptl_absorpt_coefficient_mu    17.271
_exptl_crystal_density_diffrn    2.656
_exptl_crystal_F_000             4136
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.014
_refine_diff_density_min         -2.126
_refine_diff_density_rms         0.272
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.021
_refine_ls_goodness_of_fit_obs   1.118
_refine_ls_matrix_type           full
_refine_ls_number_parameters     313
_refine_ls_number_reflns         4331
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.057
_refine_ls_restrained_S_obs      1.116
_refine_ls_R_factor_all          0.1058
_refine_ls_R_factor_obs          0.0494
_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^)+(0.0628P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1388
_refine_ls_wR_factor_obs         0.1157
_reflns_number_observed          3228
_reflns_number_total             5029
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            om000223y.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^)+(0.0628P)^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^)+(0.0628P)^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_original_cell_volume        5692.4(20)
_cod_original_sg_symbol_H-M      I2/a
_cod_original_formula_sum        'C26 H27 Br3 Hg1.50 O2 P Pt'
_cod_database_code               4077510