Electrostatic repulsion between the cations of (1-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')platinum(II) perchlorate nitromethane monosolvate prevents Pt···Pt interactions
Akerman, Matthew; Akerman, Kate; Jaganyi, Deogratius; Reddy, Desigan; Acta Crystallographica Section E 67 (2011) m1075–m1076; doi:10.1107/S1600536811025475

data_2231078
_publ_section_title
;
 Electrostatic repulsion between the cations of
 (1-methyl-1<i>H</i>-imidazole-\k<i>N</i>^3^)(2,2':6',2''-terpyridine-\k^3^<i>N</i>,<i>N</i>',<i>N</i>'')platinum(II)
 perchlorate nitromethane monosolvate prevents
 Pt&#x00B7;&#x00B7;&#x00B7;Pt interactions
;
_journal_coeditor_code           FI2109
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1075
_journal_page_last               m1076
_journal_paper_doi               10.1107/S1600536811025475
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac
'[Pt (C15 H11 N3) (C4 H6 N2)] (Cl O4)2, C H3 N O2'
_chemical_formula_moiety         'C19 H17 N5 Pt 2+, 2(Cl O4 -), C H3 N O2'
_chemical_formula_sum            'C20 H20 Cl2 N6 O10 Pt'
_chemical_formula_weight         770.41
_chemical_name_systematic
;
(1-methyl-1<i>H</i>-imidazole-\k<i>N</i>^3^)(2,2':6',2''-
terpyridine-\k^3^<i>N</i>,<i>N</i>',<i>N</i>'')platinum(II) perchlorate
nitromethane monosolvate
;
_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                90.000
_cell_angle_beta                 110.147(5)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   16.389(4)
_cell_length_b                   11.582(5)
_cell_length_c                   14.538(5)
_cell_measurement_reflns_used    5102
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.1
_cell_measurement_theta_min      2.8
_cell_volume                     2590.7(16)
_computing_cell_refinement       'CrysAlis CCD (Oxford Diffraction, 2008)'
_computing_data_collection       'CrysAlis CCD (Oxford Diffraction, 2008)'
_computing_data_reduction        'CrysAlis RED (Oxford Diffraction, 2008)'
_computing_molecular_graphics    'WinGX (Farrugia, 1999)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur2 CCD'
_diffrn_measurement_method       'omega scans at fixed theta angles'
_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  0.0528
_diffrn_reflns_av_sigmaI/netI    0.0456
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            17563
_diffrn_reflns_theta_full        26.0
_diffrn_reflns_theta_max         26.06
_diffrn_reflns_theta_min         2.82
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.688
_exptl_absorpt_correction_T_max  0.1315
_exptl_absorpt_correction_T_min  0.1315
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Blessing, 1995)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.975
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cubic
_exptl_crystal_F_000             1496
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.60
_exptl_crystal_size_min          0.60
_refine_diff_density_max         1.588
_refine_diff_density_min         -2.643
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.980
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     354
_refine_ls_number_reflns         5102
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.980
_refine_ls_R_factor_all          0.0602
_refine_ls_R_factor_gt           0.0452
_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^)+(0.0820P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1123
_refine_ls_wR_factor_ref         0.1178
_reflns_number_gt                3881
_reflns_number_total             5102
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            fi2109.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2231078
_cod_database_fobs_code          2231078