Sequential Picosecond Isomerizations in a Photochromic Ruthenium Sulfoxide Complex Triggered by Pump-Repump-Probe Spectroscopy
Albert W. King; Yuhuan Jin; James T. Engle; Christopher J. Ziegler; Jeffrey J. Rack; Inorganic Chemistry 52 (2013) 2086–2093; doi:10.1021/ic302489a

data_4333902
_publ_section_title
;
 Sequential Picosecond Isomerizations in a Photochromic Ruthenium
 Sulfoxide Complex Triggered by Pump-Repump-Probe Spectroscopy
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2086
_journal_page_last               2093
_journal_paper_doi               10.1021/ic302489a
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'C34 H30 F12 N4 P2 Ru S2'
_chemical_formula_weight         949.75
_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                89.391(2)
_cell_angle_beta                 81.720(2)
_cell_angle_gamma                89.849(2)
_cell_formula_units_Z            4
_cell_length_a                   12.3925(18)
_cell_length_b                   16.798(3)
_cell_length_c                   17.277(3)
_cell_measurement_reflns_used    8937
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.41
_cell_measurement_theta_min      2.25
_cell_volume                     3558.8(10)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.949
_diffrn_measured_fraction_theta_max 0.949
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w 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  0.0455
_diffrn_reflns_av_sigmaI/netI    0.0918
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            26318
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         1.66
_exptl_absorpt_coefficient_mu    0.745
_exptl_absorpt_correction_T_max  0.9159
_exptl_absorpt_correction_T_min  0.8592
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; [Sheldrick, G. M. (2004)]'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.773
_exptl_crystal_description       block
_exptl_crystal_F_000             1904
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.634
_refine_diff_density_min         -1.510
_refine_diff_density_rms         0.155
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     991
_refine_ls_number_reflns         14719
_refine_ls_number_restraints     48
_refine_ls_restrained_S_all      1.775
_refine_ls_R_factor_all          0.1279
_refine_ls_R_factor_gt           0.0851
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1099P)^2^+15.8998P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2096
_refine_ls_wR_factor_ref         0.2432
_reflns_number_gt                9583
_reflns_number_total             14719
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic302489a_si_003.cif
_cod_data_source_block           p1bar
_cod_original_cell_volume        3558.7(9)
_cod_database_code               4333902