Synthesis of Binuclear Platinum Complexes Containing the Ligands 8-Naphthyridine, 2-Aminopyridine, and 7-Azaindolate. An Experimental Study of the Steric Hindrance of the Bulky Pentafluorophenyl Ligands in the Synthesis of Binuclear Complexes
José M. Casas; Beatriz E. Diosdado; Juan Forniés; Antonio Martín; Angel J. Rueda; A. Guy Orpen; Inorganic Chemistry 47 (2008) 8767–8775; doi:10.1021/ic8006475

data_4305670
_publ_section_title
;
Synthesis of Binuclear Platinum Complexes Containing the Ligands
8-Naphthyridine, 2-Aminopyridine, and 7-Azaindolate. An Experimental Study
of the Steric Hindrance of the Bulky Pentafluorophenyl Ligands in the
Synthesis of Binuclear Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8767
_journal_page_last               8775
_journal_paper_doi               10.1021/ic8006475
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C49.5 H32 F15 N4 O2.5 Pt2'
_chemical_formula_weight         1383.97
_chemical_name_systematic
; 
 ? 
;
_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_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 111.116(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.442(2)
_cell_length_b                   25.214(4)
_cell_length_c                   16.797(2)
_cell_measurement_reflns_used    412
_cell_measurement_temperature    173(1)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      5
_cell_volume                     4915.6(13)
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_method       'profile data from 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  0.0383
_diffrn_reflns_av_sigmaI/netI    0.0316
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            23535
_diffrn_reflns_theta_max         26.04
_diffrn_reflns_theta_min         1.53
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    5.787
_exptl_absorpt_correction_T_max  0.512
_exptl_absorpt_correction_T_min  0.228
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.889
_exptl_crystal_description       block
_exptl_crystal_F_000             2672
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.40
_refine_diff_density_max         1.032
_refine_diff_density_min         -0.984
_refine_diff_density_rms         0.133
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.710
_refine_ls_goodness_of_fit_obs   1.710
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     676
_refine_ls_number_reflns         8530
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.710
_refine_ls_restrained_S_obs      1.710
_refine_ls_R_factor_all          0.0391
_refine_ls_R_factor_obs          0.0336
_refine_ls_shift/esd_max         0.002
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0400P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1014
_refine_ls_wR_factor_obs         0.0966
_reflns_number_observed          7798
_reflns_number_total             8531
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic8006475_si_001_4.cif
_cod_data_source_block           9
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0400P)^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^)+(0.0400P)^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        4915.8(11)
_cod_original_formula_sum        'C49.50 H32 F15 N4 O2.50 Pt2'
_cod_database_code               4305670