Photochemical or Thermal Chelate Exchange in the Ruthenium Coordination Sphere of Complexes of the Ru(phen)2L Family (L = Diimine or Dinitrile Ligands)
Etienne Baranoff; Jean-Paul Collin; Junko Furusho; Yoshio Furusho; Anne-Chantal Laemmel; Jean-Pierre Sauvage; Inorganic Chemistry 41 (2002) 1215–1222; doi:10.1021/ic011014o

data_4317653
_publ_section_title
;
 Photochemical or Thermal Chelate Exchange in the Ruthenium Coordination
 Sphere of Complexes of the Ru(phen)2L Family (L = Diimine or Dinitrile
 Ligands)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1215
_journal_page_last               1222
_journal_paper_doi               10.1021/ic011014o
_journal_volume                  41
_journal_year                    2002
_chemical_formula_moiety         'C50 H42 F12 N6 O2 P2 Ru'
_chemical_formula_sum            'C50 H42 F12 N6 O2 P2 Ru'
_chemical_formula_weight         1149.93
_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'
_cell_angle_alpha                81.777(5)
_cell_angle_beta                 73.525(5)
_cell_angle_gamma                75.868(5)
_cell_formula_units_Z            2
_cell_length_a                   11.7128(2)
_cell_length_b                   12.8727(3)
_cell_length_c                   17.9605(4)
_cell_measurement_temperature    173
_cell_volume                     2510.29(12)
_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_measurement_details
;
   11429 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   35 sec per frame.
  Data collection was divided into  5 set(s)
  with the following starting angles and number of frames :

  Set 1 Theta =    6.40 Omega =    0.00 Kappa =    0.00   91 frames
  Set 2 Theta =   -4.20 Kappa = -172.00 Phi   =    0.00   22 frames
  Set 3 Theta =   -4.40 Kappa = -171.00 Phi   =    0.00   21 frames
  Set 4 Theta =   -2.40 Kappa = -137.00 Phi   =    0.00   18 frames
  Set 5 Theta =   -6.40 Kappa =  -99.00 Phi   =    0.00   26 frames
  Friedel pairs were not averaged. Internal R = 0.04
;
_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  0.040
_diffrn_reflns_av_sigmaI/netI    0.333
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            11429
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         2.5
_diffrn_source                   xray_tube
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.467
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.52
_exptl_crystal_density_method    none
_exptl_crystal_description       prism
_exptl_crystal_F_000             1164
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.622
_refine_diff_density_min         -0.115
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   17.854
_refine_ls_goodness_of_fit_ref   1.442
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     691
_refine_ls_number_reflns         8738
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.068
_refine_ls_R_factor_gt           0.050
_refine_ls_shift/esd_mean        0.007
_refine_ls_shift/su_max          0.047
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.897
_refine_ls_wR_factor_ref         0.075
_reflns_number_gt                8738
_reflns_number_total             11429
_reflns_threshold_expression     >3.0\s(I)
_cod_data_source_file            ic011014o_1.cif
_cod_data_source_block           st567
_cod_original_cell_volume        2510.29(9)
_cod_database_code               4317653