Photochemical Expulsion of the Neutral Monodentate Ligand L in Ru(Terpy*)(Diimine)(L)2+: A Dramatic Effect of the Steric Properties of the Spectator Diimine Ligand
Sylvestre Bonnet; Jean-Paul Collin; Jean-Pierre Sauvage; Emma Schofield; Inorganic Chemistry 43 (2004) 8346–8354; doi:10.1021/ic0491736

data_4312276
_publ_section_title
;
 Photochemical Expulsion of the Neutral Monodentate Ligand L in
 Ru(Terpy*)(Diimine)(L)2+: A Dramatic Effect of the Steric Properties of
 the Spectator Diimine Ligand
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8346
_journal_page_last               8354
_journal_paper_doi               10.1021/ic0491736
_journal_volume                  43
_journal_year                    2004
_chemical_formula_moiety         'C46 H51 Cl2 F12 N5 P2 Ru S'
_chemical_formula_sum            'C46 H51 Cl2 F12 N5 P2 Ru S'
_chemical_formula_weight         1167.92
_chemical_name_systematic        ' ?'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             7-10-03
_cell_angle_alpha                90
_cell_angle_beta                 103.614(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.7000(3)
_cell_length_b                   23.4037(5)
_cell_length_c                   17.3218(4)
_cell_measurement_reflns_used    24465
_cell_measurement_temperature    173
_cell_measurement_theta_max      29.5
_cell_measurement_theta_min      1.4
_cell_volume                     5003.9(2)
_computing_publication_material  CIFGEN_IN_OpenMoleN_(_1997)
_computing_structure_refinement  LSFM_OpenMoleN_(_1997)
_computing_structure_solution    Direct_methods_(SIR,_Burla_et_al.,_1989)
_diffrn_ambient_temperature      173
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_details
;
   24465 reflections were collected using program Collect
  ("Collect" Data collection software, Nonius B.V., 1998)
  The conditions were as follow : crystal to detector distance =  36. mm.
  Scan angle =  1.6 deg 1 scans of   60 sec per frame.
  Data collection was divided into  2 set(s)
  with the following starting angles and number of frames :
  Set 1 Theta =    8.80 Omega =    0.00 Kappa =    0.00  151 frames
  Set 2 Theta =   -8.40 Kappa = -146.00 Phi   =    0.00   21 frames
  Friedel pairs were averaged. Internal R = 0.05
;
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       '\p scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           Mo-K\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.050
_diffrn_reflns_av_sigmaI/netI    0.333
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            24465
_diffrn_reflns_theta_full        29.5
_diffrn_reflns_theta_max         29.5
_diffrn_reflns_theta_min         2.5
_diffrn_source                   xray_tube
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.610
_exptl_absorpt_correction_T_max  0.964
_exptl_absorpt_correction_T_min  0.928
_exptl_absorpt_correction_type   refdelf_(Walker_&_Stuart,_1983)
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.55
_exptl_crystal_density_method    none
_exptl_crystal_description       prism
_exptl_crystal_F_000             2376
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.077
_refine_diff_density_min         -0.865
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.386
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     622
_refine_ls_number_reflns         5821
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.131
_refine_ls_R_factor_gt           0.087
_refine_ls_shift/esd_mean        0.001
_refine_ls_shift/su_max          0.009
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.223
_refine_ls_wR_factor_ref         0.102
_reflns_number_gt                5821
_reflns_number_total             14590
_reflns_threshold_expression     >3.0\s(I)
_cod_data_source_file            ic0491736si20040625_093924_4.cif
_cod_data_source_block           st1269
_cod_database_code               4312276