Preparation, Characterization, and Luminescence Properties of a 58-Electron Linear Pt4 Cluster, [Pt4(dmb)4(PPh3)2]2+ (dmb = 1,8-Diisocyano-p-menthane), and Its Diphosphine Polymers
Tianle Zhang; Marc Drouin; Pierre D. Harvey; Inorganic Chemistry 38 (1999) 957–963; doi:10.1021/ic9807947

data_4321808
_publ_contact_author
;
Pierre D. Harvey
Department de chimie
Universite de Sherbrooke
2500 boul. Universite, Sherbrooke
Que., J1K 2R1
CANADA
;
_publ_contact_author_email       pharvey@courrier.usherb.ca
_publ_contact_author_fax         819-821-8017
_publ_contact_author_phone       819-821-7092
_publ_section_title
;
 Preparation, Characterization, and Luminescence Properties of a
 58-Electron Linear Pt4 Cluster, [Pt4(dmb)4(PPh3)2]2+ (dmb =
 1,8-Diisocyano-p-menthane), and Its Diphosphine Polymers
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              957
_journal_page_last               963
_journal_paper_doi               10.1021/ic9807947
_journal_volume                  38
_journal_year                    1999
_chemical_formula_sum            'C88 H112 Cl2 N10 O2 P2 Pt4'
_chemical_formula_weight         2255.08
_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
_cell_angle_alpha                92.35(3)
_cell_angle_beta                 91.655(15)
_cell_angle_gamma                90.28(5)
_cell_formula_units_Z            2
_cell_length_a                   12.624(4)
_cell_length_b                   14.24(2)
_cell_length_c                   27.312(3)
_cell_measurement_temperature    293(2)
_cell_volume                     4903(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuKa
_diffrn_radiation_wavelength     1.54060
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0223
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            16528
_diffrn_reflns_theta_full        64.90
_diffrn_reflns_theta_max         64.90
_diffrn_reflns_theta_min         1.62
_exptl_absorpt_coefficient_mu    11.592
_exptl_crystal_density_diffrn    1.528
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2204
_refine_diff_density_max         4.972
_refine_diff_density_min         -2.593
_refine_diff_density_rms         0.306
_refine_ls_extinction_coef       0.00017(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     839
_refine_ls_number_reflns         16528
_refine_ls_number_restraints     254
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.0822
_refine_ls_R_factor_gt           0.0738
_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^)+(0.1503P)^2^+31.5692P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2097
_refine_ls_wR_factor_ref         0.2199
_reflns_number_gt                13719
_reflns_number_total             16528
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic9807947.cif
_cod_data_source_block           1
_cod_database_code               4321808