Excited-State Absorption Properties of Platinum(II) Terpyridyl Acetylides
Elena Shikhova; Evgeny O. Danilov; Solen Kinayyigit; Irina E. Pomestchenko; Alexander D. Tregubov; Frank Camerel; Pascal Retailleau; Raymond Ziessel; Felix N. Castellano; Inorganic Chemistry 46 (2007) 3038–3048; doi:10.1021/ic0618652

data_4307318
_publ_contact_author_address
;
Laboratoire de Chimie
Universit\'e Louis Pasteur, d'Electronique et de Photonique Moleculaires
ECPM, 1 rue Blaise Pascal
Strasbourg
F-67008
FRANCE
;
_publ_contact_author_email       fcamerel@chimie.u-strasbg.fr
_publ_contact_author_fax         0390241232
_publ_contact_author_name        'Franck  Camerel'
_publ_contact_author_phone       0390241593
_publ_section_title
;
Excited-State Absorption Properties of Platinum(II) Terpyridyl Acetylides
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3038
_journal_page_last               3048
_journal_paper_doi               10.1021/ic0618652
_journal_volume                  46
_journal_year                    2007
_chemical_formula_moiety         'C35 H50 N3 Pt Si, C6 H12, B F4'
_chemical_formula_sum            'C41 H62 B F4 N3 Pt Si'
_chemical_formula_weight         906.93
_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_date             10-05-05
_audit_creation_method           SHELXL-97
_cell_angle_alpha                89.340(2)
_cell_angle_beta                 87.933(2)
_cell_angle_gamma                75.752(2)
_cell_formula_units_Z            2
_cell_length_a                   10.379(3)
_cell_length_b                   12.700(3)
_cell_length_c                   17.441(3)
_cell_measurement_reflns_used    4298
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      23.257
_cell_measurement_theta_min      0.998
_cell_volume                     2226.8(9)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'PLATON (Spek, 1980-2004)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'DIRDIF99 (Beurskens et al, 1999)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  '95mm CCD camera on \k-goniostat'
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_radiation_monochromator  'horizontally mounted graphite crystal'
_diffrn_radiation_source         'Enraf Nonius FR590'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0290
_diffrn_reflns_av_sigmaI/netI    0.0478
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            16005
_diffrn_reflns_theta_full        23.33
_diffrn_reflns_theta_max         23.33
_diffrn_reflns_theta_min         2.02
_exptl_absorpt_coefficient_mu    3.224
_exptl_absorpt_correction_T_max  0.526
_exptl_absorpt_correction_T_min  0.328
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'HKL SCALEPACK, Blessing'
_exptl_crystal_colour            'dark yellow'
_exptl_crystal_density_diffrn    1.353
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             924
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.692
_refine_diff_density_min         -0.843
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     541
_refine_ls_number_reflns         6419
_refine_ls_number_restraints     338
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0518
_refine_ls_R_factor_gt           0.0396
_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^)+(0.0591P)^2^+1.5933P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0958
_refine_ls_wR_factor_ref         0.1028
_reflns_number_gt                5480
_reflns_number_total             6419
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0618652si20060928_021405.cif
_cod_data_source_block           RIS1009A
_cod_database_code               4307318