Improved One-Pot Synthesis of Mixed Methyl−Aryl Platinum(II) Diimine Complexes
Lersch, Martin; Dalhus, Bjørn; Bercaw, John E.; Labinger, Jay; Tilset, Mats; Organometallics 25 (2006) 1055–; doi:10.1021/om050899z

data_4074807
_publ_section_title
;
 Improved One-Pot Synthesis of Mixed Methyl&#x2212;Aryl Platinum(II)
 Diimine Complexes
;
_journal_issue                   4
_journal_name_full               Organometallics
_journal_page_first              1055
_journal_paper_doi               10.1021/om050899z
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         'C25 H25 N2 Pt'
_chemical_formula_sum            'C25 H25 N2 Pt'
_chemical_formula_weight         548.56
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_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                 107.0460(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   26.9672(7)
_cell_length_b                   8.8779(2)
_cell_length_c                   18.9608(5)
_cell_measurement_reflns_used    7597
_cell_measurement_temperature    105(2)
_cell_measurement_theta_max      35.0
_cell_measurement_theta_min      2.6
_cell_volume                     4340.03(19)
_computing_cell_refinement
;

SAINT. Bruker AsX Gmbh, Karsruhe, Germany (1996)

;
_computing_data_collection
;

SMART. Bruker AsX Gmbh, Karsruhe, Germany (1996)

;
_computing_data_reduction
;

SAINT. Bruker AsX Gmbh, Karsruhe, Germany (1996)

;
_computing_molecular_graphics
;

SHELXTL. Bruker AsX Gmbh, Karsruhe, Germany (1996)

;
_computing_publication_material
;

SHELXTL. Bruker AsX Gmbh, Karsruhe, Germany (1996)

;
_computing_structure_refinement
;

SHELXL-97 (Sheldrick, 1997)

;
_computing_structure_solution
;

SHELXS-97 (Sheldrick, 1990)

;
_diffrn_ambient_temperature      105(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker SMART 1k CCD'
_diffrn_measurement_method       '\w scans'
_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  0.0544
_diffrn_reflns_av_sigmaI/netI    0.0569
_diffrn_reflns_limit_h_max       43
_diffrn_reflns_limit_h_min       -43
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            86453
_diffrn_reflns_theta_full        35.02
_diffrn_reflns_theta_max         35.02
_diffrn_reflns_theta_min         2.15
_exptl_absorpt_coefficient_mu    6.478
_exptl_absorpt_correction_T_max  0.40
_exptl_absorpt_correction_T_min  0.20
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;

XPREP. Bruker AsX Gmbh, Karsruhe, Germany (1996)

;
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.679
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             2136
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         4.386
_refine_diff_density_min         -3.779
_refine_diff_density_rms         0.249
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.194
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     513
_refine_ls_number_reflns         19007
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.194
_refine_ls_R_factor_all          0.0618
_refine_ls_R_factor_gt           0.0499
_refine_ls_shift/su_max          0.013
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+41.3877P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1174
_refine_ls_wR_factor_ref         0.1216
_reflns_number_gt                16130
_reflns_number_total             19007
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om050899zsi20051018_100519.cif
_cod_data_source_block           compound11a
_cod_original_cell_volume        4340.0(2)
_cod_database_code               4074807