Expedient, Direct Synthesis of (L)Pt(0)(1,6-diene) Complexes from H2PtCl6
Berthon-Gelloz, Guillaume; Schumers, Jean-Marc; Lucaccioni, Fabio; Tinant, Bernard; Wouters, Johan; Markó, István E.; Organometallics 26 (2007) 5731–; doi:10.1021/om7007088

data_4073886
_publ_section_title
;
 Expedient, Direct Synthesis of (L)Pt(0)(1,6-diene) Complexes from H2PtCl6
;
_journal_issue                   23
_journal_name_full               Organometallics
_journal_page_first              5731
_journal_paper_doi               10.1021/om7007088
_journal_volume                  26
_journal_year                    2007
_chemical_formula_moiety         'C40 H56 N2 O4 Pt'
_chemical_formula_sum            'C40 H56 N2 O4 Pt'
_chemical_formula_weight         823.96
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.4900(10)
_cell_length_b                   17.5660(10)
_cell_length_c                   19.3040(10)
_cell_measurement_temperature    193(2)
_cell_volume                     3896.2(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.950
_diffrn_measured_fraction_theta_max 0.950
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0321
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            6816
_diffrn_reflns_theta_full        25.34
_diffrn_reflns_theta_max         25.34
_diffrn_reflns_theta_min         2.55
_exptl_absorpt_coefficient_mu    3.641
_exptl_absorpt_correction_T_max  0.3237
_exptl_absorpt_correction_T_min  0.3237
_exptl_crystal_density_diffrn    1.405
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1680
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.40
_refine_diff_density_max         0.753
_refine_diff_density_min         -1.511
_refine_diff_density_rms         0.138
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.010(8)
_refine_ls_extinction_coef       0.0083(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.217
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     435
_refine_ls_number_reflns         6816
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.217
_refine_ls_R_factor_all          0.0278
_refine_ls_R_factor_gt           0.0273
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0325P)^2^+3.5176P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0789
_refine_ls_wR_factor_ref         0.0793
_reflns_number_gt                6688
_reflns_number_total             6816
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om7007088-file002.cif
_cod_data_source_block           gbg1026
_cod_database_code               4073886