Luminescent 1D chain of platinum(II) terpyridyl units with p-dithiobenzoquinone organometallic linker: self-aggregation imparted from Pt...Pt/pi-pi interactions.
Moussa, Jamal; Man-Chung Wong, Keith; Chamoreau, Lise-Marie; Amouri, Hani; Wing-Wah Yam, Vivian; Dalton transactions (Cambridge, England : 2003)  (2007) 3526–3530; doi:10.1039/b708922h

data_7006093
_publ_section_title
;
 Luminescent 1D chain of platinum(II) terpyridyl units with
 p-dithiobenzoquinone organometallic linker: self-aggregation imparted
 from Pt...Pt/pi-pi interactions.
;
_journal_issue                   32
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3526
_journal_page_last               3530
_journal_paper_doi               10.1039/b708922h
_journal_year                    2007
_chemical_formula_sum            'C54 H47 F12 Ir N8 O12 Pt2 S6'
_chemical_formula_weight         2002.74
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_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                69.378(6)
_cell_angle_beta                 89.134(9)
_cell_angle_gamma                75.192(8)
_cell_formula_units_Z            2
_cell_length_a                   12.836(2)
_cell_length_b                   16.1552(10)
_cell_length_c                   17.537(2)
_cell_measurement_temperature    293(2)
_cell_volume                     3279.3(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  0.0887
_diffrn_reflns_av_sigmaI/netI    0.1379
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            59052
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         2.42
_exptl_absorpt_coefficient_mu    6.569
_exptl_crystal_density_diffrn    2.028
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1920
_refine_diff_density_max         2.836
_refine_diff_density_min         -2.058
_refine_diff_density_rms         0.265
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     858
_refine_ls_number_reflns         19021
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.1420
_refine_ls_R_factor_gt           0.0595
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0670P)^2^+20.7452P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1421
_refine_ls_wR_factor_ref         0.1695
_reflns_number_gt                10455
_reflns_number_total             19021
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b708922h.txt
_cod_data_source_block           jm340
_cod_database_code               7006093