Novel Luminescent Hexanuclear Platinum(II) Alkynyl Complex: Molecular Lego from a Face-to-Face Dinuclear Platinum(II) Building Block
Chi-Kuen Hui; Ben Wai-Kin Chu; Nianyong Zhu; Vivian Wing-Wah Yam; Inorganic Chemistry 41 (2002) 6178–6180; doi:10.1021/ic025685d

data_4318933
_publ_section_title
;
 Novel Luminescent Hexanuclear Platinum(II) Alkynyl Complex: Molecular
 Lego from a Face-to-Face Dinuclear Platinum(II) Building Block
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6178
_journal_page_last               6180
_journal_paper_doi               10.1021/ic025685d
_journal_volume                  41
_journal_year                    2002
_chemical_formula_moiety         'C150 H114 F24 N18 O26 P4 Pt6 S8'
_chemical_formula_sum            'C150 H114 F24 N18 O26 P4 Pt6 S8'
_chemical_formula_weight         4591.49
_chemical_name_systematic
;
 ?
;
_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                 97.12(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.013(3)
_cell_length_b                   14.377(3)
_cell_length_c                   46.275(9)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    301(2)
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     9251(3)
_computing_cell_refinement       Scalepack
_computing_data_collection       MarControl
_computing_data_reduction        Denzo
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR-97
_diffrn_ambient_temperature      301(2)
_diffrn_measured_fraction_theta_full 0.681
_diffrn_measured_fraction_theta_max 0.681
_diffrn_measurement_device_type  'Marresearch Imaging Plate mar300'
_diffrn_measurement_method       Oscillation
_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  0.0615
_diffrn_reflns_av_sigmaI/netI    0.1650
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       54
_diffrn_reflns_limit_l_min       -56
_diffrn_reflns_number            31324
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.48
_exptl_absorpt_coefficient_mu    4.733
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.648
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             4440
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.208
_refine_diff_density_min         -1.518
_refine_diff_density_rms         0.205
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.918
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     857
_refine_ls_number_reflns         11726
_refine_ls_number_restraints     262
_refine_ls_restrained_S_all      0.916
_refine_ls_R_factor_all          0.0998
_refine_ls_R_factor_gt           0.0558
_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^)+(0.0669P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1448
_refine_ls_wR_factor_ref         0.1639
_reflns_number_gt                5974
_reflns_number_total             11726
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic025685d-2_s2_2.cif
_cod_data_source_block           complex2
_cod_database_code               4318933