Oxidative Coupling of Imino, Amide Platinum(II) Complexes Yields Highly Conjugated Blue Dimers
Esposito, Roberto; Calvanese, Luisa; Cucciolito, Maria Elena; D’Auria, Gabriella; Falcigno, Lucia; Fiorini, Valentina; Pezzella, Prisco; Roviello, Giuseppina; Stagni, Stefano; Talarico, Giovanni; Ruffo, Francesco; Organometallics 36 (2017) 384–; doi:10.1021/acs.organomet.6b00798

data_4086906
_publ_section_title
;
 Oxidative Coupling of Imino, Amide Platinum(II) Complexes Yields Highly
 Conjugated Blue Dimers
;
_journal_issue                   2
_journal_name_full               Organometallics
_journal_page_first              384
_journal_paper_doi               10.1021/acs.organomet.6b00798
_journal_volume                  36
_journal_year                    2017
_chemical_formula_moiety         'C46 H58 N4 Pt2'
_chemical_formula_sum            'C46 H58 N4 Pt2'
_chemical_formula_weight         1057.14
_chemical_name_systematic
; 
 no 
;
_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                 113.27(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.695(1)
_cell_length_b                   20.920(3)
_cell_length_c                   14.748(1)
_cell_measurement_reflns_used    270
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      19.896
_cell_measurement_theta_min      3.545
_cell_volume                     4165.0(10)
_computing_cell_refinement       'Dirax/lsq (Duisenberg & Schreurs 1989-2000)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction        'EvalCCD (Duisenberg & Schreurs 1990-2000)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR97 (Altomare et al. 1999)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.955
_diffrn_measured_fraction_theta_max 0.927
_diffrn_measurement_device_type  'Bruker-Nonius KappaCCD'
_diffrn_measurement_method       'CCD rotation images, thick slices'
_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  0.0438
_diffrn_reflns_av_sigmaI/netI    0.0763
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            21203
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         3.02
_diffrn_source                   'Enraf Nonius FR590'
_exptl_absorpt_coefficient_mu    6.746
_exptl_absorpt_correction_T_max  0.130
_exptl_absorpt_correction_T_min  0.100
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS(Bruker 2000)
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.686
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2072
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.3
_refine_diff_density_max         0.888
_refine_diff_density_min         -0.947
_refine_diff_density_rms         0.166
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.978
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     511
_refine_ls_number_reflns         8860
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.978
_refine_ls_R_factor_all          0.0733
_refine_ls_R_factor_gt           0.0350
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0191P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0526
_refine_ls_wR_factor_ref         0.0599
_reflns_number_gt                6129
_reflns_number_total             8860
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om6b00798_si_003.cif
_cod_data_source_block           etidameph2_lt
_cod_depositor_comments          'Adding full bibliography for 4086906.cif.'
_cod_original_cell_volume        4165.1(3)
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               4086906