Versatile precursors for multinuclear platinum(ii) alkynyl assembly—synthesis, structural characterization and electrochemical studies of luminescent platinum(ii) alkynyl complexes
Tao, Chi-Hang; Wong, Keith Man-Chung; Zhu, Nianyong; Yam, Vivian Wing-Wah; New Journal of Chemistry 27 (2003) 150–; doi:10.1039/b210772b

data_7050500
_publ_section_title
;
 Versatile precursors for multinuclear platinum(ii) alkynyl
 assembly---synthesis, structural characterization and electrochemical
 studies of luminescent platinum(ii) alkynyl complexes
;
_journal_issue                   1
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              150
_journal_paper_doi               10.1039/b210772b
_journal_volume                  27
_journal_year                    2003
_chemical_formula_moiety         'C50 H30 Pt1 S1'
_chemical_formula_sum            'C44 H55 F3 N3 O5 Pt S'
_chemical_formula_weight         990.06
_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                103.65(3)
_cell_angle_beta                 111.31(3)
_cell_angle_gamma                98.96(3)
_cell_formula_units_Z            2
_cell_length_a                   11.259(2)
_cell_length_b                   15.053(3)
_cell_length_c                   15.134(3)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     2237.9(11)
_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    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.845
_diffrn_measured_fraction_theta_max 0.845
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0461
_diffrn_reflns_av_sigmaI/netI    0.0873
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            13650
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         1.44
_exptl_absorpt_coefficient_mu    3.239
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.469
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1002
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         4.948
_refine_diff_density_min         -2.557
_refine_diff_density_rms         0.246
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     476
_refine_ls_number_reflns         6935
_refine_ls_number_restraints     19
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0968
_refine_ls_R_factor_gt           0.0820
_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^)+(0.1661P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2109
_refine_ls_wR_factor_ref         0.2241
_reflns_number_gt                5401
_reflns_number_total             6935
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b210772b.txt
_cod_data_source_block           mar426a
_cod_original_cell_volume        2237.9(7)
_cod_database_code               7050500