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_4312274
_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         'C120 H138 F24 N12 O9 P4 Ru2'
_chemical_formula_sum            'C120 H138 F24 N12 O9 P4 Ru2'
_chemical_formula_weight         2674.51
_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'
_audit_creation_date             28-10-03
_cell_angle_alpha                108.482(5)
_cell_angle_beta                 102.042(5)
_cell_angle_gamma                96.712(5)
_cell_formula_units_Z            1
_cell_length_a                   14.3343(5)
_cell_length_b                   15.8785(5)
_cell_length_c                   15.9528(6)
_cell_measurement_reflns_used    14615
_cell_measurement_temperature    173
_cell_measurement_theta_max      27.2
_cell_measurement_theta_min      1.4
_cell_volume                     3301.7(3)
_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 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_details
;
   14615 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 =  2.0 deg 1 scans of   90 sec per frame.
  Data collection was divided into  2 set(s)
  with the following starting angles and number of frames :
  Set 1 Theta =    6.30 Omega =    0.00 Kappa =    0.00   91 frames
  Set 2 Theta =   -5.60 Kappa = -166.00 Phi   =    0.00   23 frames
  Friedel pairs were averaged. Internal R = 0.06
;
_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  0.060
_diffrn_reflns_av_sigmaI/netI    0.333
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            14615
_diffrn_reflns_theta_full        27.20
_diffrn_reflns_theta_max         27.20
_diffrn_reflns_theta_min         2.5
_diffrn_source                   xray_tube
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.368
_exptl_absorpt_correction_T_max  0.989
_exptl_absorpt_correction_T_min  0.927
_exptl_absorpt_correction_type   refdelf_(Walker_&_Stuart,_1983)
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.35
_exptl_crystal_density_method    none
_exptl_crystal_description       prism
_exptl_crystal_F_000             1378
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.071
_refine_diff_density_min         -0.901
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.411
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    30
_refine_ls_number_parameters     826
_refine_ls_number_reflns         7645
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.124
_refine_ls_R_factor_gt           0.082
_refine_ls_shift/esd_mean        0.001
_refine_ls_shift/su_max          0.012
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.247
_refine_ls_wR_factor_ref         0.096
_reflns_number_gt                7645
_reflns_number_total             14615
_reflns_threshold_expression     >3.0\s(I)
_cod_data_source_file            ic0491736si20040625_093924_2.cif
_cod_data_source_block           st1144
_cod_original_cell_volume        3301.7(2)
_cod_database_code               4312274