Self-Assembly of Metallamacrocycles Using a Dinuclear Organometallic Acceptor: Synthesis, Characterization, and Sensing Study
Sankarasekaran Shanmugaraju; Sachin A. Joshi; Partha Sarathi Mukherjee; Inorganic Chemistry 50 (2011) 11736–11745; doi:10.1021/ic201745y

data_4326913
_publ_section_title
;
 Self-Assembly of Metallamacrocycles Using a Dinuclear Organometallic
 Acceptor: Synthesis, Characterization, and Sensing Study
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11736
_journal_page_last               11745
_journal_paper_doi               10.1021/ic201745y
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         'C40 H68 I2 P4 Pt2'
_chemical_formula_sum            'C40 H68 I2 O P4 Pt2'
_chemical_formula_weight         1316.79
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                105.619(9)
_cell_angle_beta                 90.102(9)
_cell_angle_gamma                105.726(9)
_cell_formula_units_Z            4
_cell_length_a                   16.804(3)
_cell_length_b                   17.587(3)
_cell_length_c                   17.973(3)
_cell_measurement_temperature    100(2)
_cell_volume                     4907.9(15)
_computing_cell_refinement       'Bruker kappa apex ccd'
_computing_data_collection       'Bruker kappa apex ccd'
_computing_data_reduction        'Bruker saint'
_computing_molecular_graphics    ortep-III
_computing_publication_material  winGX1.80.05
_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 0.731
_diffrn_measured_fraction_theta_max 0.731
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scan'
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0018
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            16384
_diffrn_reflns_theta_full        25.0
_diffrn_reflns_theta_max         25.0
_diffrn_reflns_theta_min         1.18
_exptl_absorpt_coefficient_mu    7.110
_exptl_absorpt_correction_T_max  0.491
_exptl_absorpt_correction_T_min  0.374
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.804
_exptl_crystal_description       'block shape'
_exptl_crystal_F_000             2552
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.367
_refine_diff_density_min         -2.421
_refine_diff_density_rms         0.064
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.940
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     873
_refine_ls_number_reflns         16384
_refine_ls_number_restraints     327
_refine_ls_restrained_S_all      0.958
_refine_ls_R_factor_all          0.0187
_refine_ls_R_factor_gt           0.0187
_refine_ls_shift/su_max          14.222
_refine_ls_shift/su_mean         0.125
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0470P)^2^+4.0592P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0693
_refine_ls_wR_factor_ref         0.0693
_reflns_number_gt                16346
_reflns_number_total             16384
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            ic201745y_si_002.cif
_cod_data_source_block           complex-1a
_cod_database_code               4326913