PtII-Mediated Imine-Nitrile Coupling Leading to Symmetrical (1,3,5,7,9-Pentaazanona-1,3,6,8-tetraenato)Pt(II) Complexes Containing the Incorporated 1,3-Diiminoisoindoline Moiety
Jamal Lasri; Maxim L. Kuznetsov; M. Fátima C. Guedes da Silva; Armando J. L. Pombeiro; Inorganic Chemistry 51 (2012) 10774–10786; doi:10.1021/ic301176b

data_4330636
_publ_section_title
;
 PtII-Mediated Imine-Nitrile Coupling Leading to Symmetrical
 (1,3,5,7,9-Pentaazanona-1,3,6,8-tetraenato)Pt(II) Complexes Containing
 the Incorporated 1,3-Diiminoisoindoline Moiety
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10774
_journal_page_last               10786
_journal_paper_doi               10.1021/ic301176b
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety         'C22 H14 Cl N5 Pt'
_chemical_formula_sum            'C22 H14 Cl N5 Pt'
_chemical_formula_weight         578.92
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 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                 120.469(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.3847(6)
_cell_length_b                   23.6077(10)
_cell_length_c                   6.9904(3)
_cell_measurement_reflns_used    4652
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      31.29
_cell_measurement_theta_min      3.04
_cell_volume                     1903.81(15)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \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  0.0349
_diffrn_reflns_av_sigmaI/netI    0.0705
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            11008
_diffrn_reflns_theta_full        28.10
_diffrn_reflns_theta_max         32.69
_diffrn_reflns_theta_min         3.04
_exptl_absorpt_coefficient_mu    7.530
_exptl_absorpt_correction_T_max  0.6608
_exptl_absorpt_correction_T_min  0.1259
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.020
_exptl_crystal_description       plate
_exptl_crystal_F_000             1104
_exptl_crystal_size_max          0.47
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.298
_refine_diff_density_min         -1.675
_refine_diff_density_rms         0.191
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.010(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.954
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     262
_refine_ls_number_reflns         5581
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.954
_refine_ls_R_factor_all          0.0400
_refine_ls_R_factor_gt           0.0305
_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^)+(0.0000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0548
_refine_ls_wR_factor_ref         0.0581
_reflns_number_gt                4877
_reflns_number_total             5581
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic301176b_si_002_2.cif
_cod_data_source_block           Compound3b
_cod_original_cell_volume        1903.81(14)
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               4330636