Speciation in solution, solid state spectroscopy and vapochromism of [Pt(trpy)(NCS)]SbF(6) where trpy = 2,2':6',2''-terpyridine.
Field, John S.; Grimmer, Craig D.; Munro, Orde Q.; Waldron, Bradley P.; Dalton transactions (Cambridge, England : 2003) 39 (2010) 1558–1567; doi:10.1039/b916897b

data_7024434
_publ_section_title
;
 Speciation in solution, solid state spectroscopy and vapochromism of
 [Pt(trpy)(NCS)]SbF(6) where trpy = 2,2':6',2''-terpyridine.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1558
_journal_page_last               1567
_journal_paper_doi               10.1039/b916897b
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         'C16 H11 N4 Pt S, F6 Sb, C2 H3 N'
_chemical_formula_sum            'C18 H14 F6 N5 Pt S Sb'
_chemical_formula_weight         763.24
_chemical_name_common            '[Pt(trpy)(NCS)]SbF6.CH3CN'
_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                110.352(16)
_cell_angle_beta                 95.803(16)
_cell_angle_gamma                101.299(12)
_cell_formula_units_Z            2
_cell_length_a                   7.306(2)
_cell_length_b                   12.397(4)
_cell_length_c                   13.622(4)
_cell_measurement_reflns_used    >200
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      32
_cell_measurement_theta_min      4
_cell_volume                     1115.0(6)
_computing_cell_refinement       'Crysalis CCD 170'
_computing_data_collection       'Crysalis CCD 170'
_computing_data_reduction        'Crysalis CCD 170'
_computing_molecular_graphics    'X-seed (Barbour, 2000)'
_computing_publication_material  'CIFTAB (Sheldrick, 1997'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.881
_diffrn_measurement_device_type  'Xcalibur CCD'
_diffrn_measurement_method       'omega 2 theta scans'
_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  0.0276
_diffrn_reflns_av_sigmaI/netI    0.0436
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            16220
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.42
_diffrn_reflns_theta_min         3.60
_exptl_absorpt_coefficient_mu    7.637
_exptl_absorpt_correction_T_max  0.6309
_exptl_absorpt_correction_T_min  0.1859
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Crysalis RED 170'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.273
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             712
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.789
_refine_diff_density_min         -0.766
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.934
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     290
_refine_ls_number_reflns         4933
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.934
_refine_ls_R_factor_all          0.0380
_refine_ls_R_factor_gt           0.0219
_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^)+(0.0170P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0383
_refine_ls_wR_factor_ref         0.0396
_reflns_number_gt                3755
_reflns_number_total             4933
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b916897b.txt
_cod_data_source_block           1mecn295K
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7024434