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_4317655
_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         'C36 H28 F12 N6 P2 Ru'
_chemical_formula_sum            'C36 H28 F12 N6 P2 Ru'
_chemical_formula_weight         935.66
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.938(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.2556(3)
_cell_length_b                   22.7566(6)
_cell_length_c                   13.9607(2)
_cell_measurement_temperature    294
_cell_volume                     3660.2(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      294
_diffrn_measurement_details
;
   15271 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   40 sec per frame.
  Data collection was divided into  4 set(s)
  with the following starting angles and number of frames :

  Set 1 Theta =    6.40 Omega =    0.00 Kappa =    0.00  117 frames
  Set 2 Theta =   -5.10 Kappa =  134.00 Phi   =    0.00   21 frames
  Set 3 Theta =   -6.40 Kappa = -135.00 Phi   =    0.00   19 frames
  Set 4 Theta =   -6.10 Kappa =  -74.00 Phi   =    0.00   36 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       -15
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            15271
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.5
_diffrn_source                   xray_tube
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.615
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.70
_exptl_crystal_density_method    none
_exptl_crystal_description       prism
_exptl_crystal_F_000             1872
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.640
_refine_diff_density_min         -0.133
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   3.422
_refine_ls_goodness_of_fit_ref   1.106
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     514
_refine_ls_number_reflns         5963
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.052
_refine_ls_R_factor_gt           0.033
_refine_ls_shift/esd_mean        0.001
_refine_ls_shift/su_max          0.021
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.132
_refine_ls_wR_factor_ref         0.045
_reflns_number_gt                5963
_reflns_number_total             8581
_reflns_threshold_expression     >3.0\s(I)
_cod_data_source_file            ic011014o_3.cif
_cod_data_source_block           st522
_cod_original_cell_volume        3660.2(1)
_cod_database_code               4317655