Self-Assembly of an Octanuclear Platinum(II) Tetragonal Prism from a New PtII4 Organometallic Star-Shaped Acceptor and Its Nitroaromatic Sensing Study
Sankarasekaran Shanmugaraju; Harshal Jadhav; Yogesh P. Patil; Partha Sarathi Mukherjee; Inorganic Chemistry 51 (2012) 13072–13074; doi:10.1021/ic301716y

data_4331311
_publ_section_title
;
 Self-Assembly of an Octanuclear Platinum(II) Tetragonal Prism from a New
 PtII4 Organometallic Star-Shaped Acceptor and Its Nitroaromatic Sensing
 Study
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              13072
_journal_page_last               13074
_journal_paper_doi               10.1021/ic301716y
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety         'C72 H126 I4 P8 Pt4, C4 H10 O'
_chemical_formula_sum            'C76 H136 I4 O P8 Pt4'
_chemical_formula_weight         2601.57
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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                 95.900(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.3167(5)
_cell_length_b                   33.3727(15)
_cell_length_c                   13.5137(6)
_cell_measurement_reflns_used    9902
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.35
_cell_measurement_theta_min      2.44
_cell_volume                     4628.1(4)
_computing_cell_refinement       'bruker saint'
_computing_data_collection       'bruker kappa apex-II ccd'
_computing_data_reduction        'bruker saint'
_computing_molecular_graphics    ORTEP-III
_computing_publication_material  WinGXv1.80.05
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    SHELXS-97
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 0.3
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'bruker kappa 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  0.0649
_diffrn_reflns_av_sigmaI/netI    0.0516
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_k_min       -41
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            71528
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.22
_exptl_absorpt_coefficient_mu    7.536
_exptl_absorpt_correction_T_max  0.8639
_exptl_absorpt_correction_T_min  0.2035
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            'red brown'
_exptl_crystal_density_diffrn    1.867
_exptl_crystal_description       'plate like'
_exptl_crystal_F_000             2488
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.948
_refine_diff_density_min         -2.550
_refine_diff_density_rms         0.193
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.109
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     421
_refine_ls_number_reflns         9088
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.109
_refine_ls_R_factor_all          0.0662
_refine_ls_R_factor_gt           0.0447
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+47.5243P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0696
_refine_ls_wR_factor_ref         0.0753
_reflns_number_gt                7066
_reflns_number_total             9088
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            ic301716y_si_002.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4331311