Light-Driven Expulsion of the Sterically Hindering Ligand L in Tris-diimine Ruthenium(II) Complexes of the Ru(phen)2(L)2+ Family: A Pronounced Ring Effect
Jean-Paul Collin; Damien Jouvenot; Masatoshi Koizumi; Jean-Pierre Sauvage; Inorganic Chemistry 44 (2005) 4693–4698; doi:10.1021/ic050246a

data_4309118
_publ_section_title
;
Light-Driven Expulsion of the Sterically Hindering Ligand L in Tris-diimine
Ruthenium(II) Complexes of the Ru(phen)2(L)2+ Family: A Pronounced Ring
Effect
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4693
_journal_page_last               4698
_journal_paper_doi               10.1021/ic050246a
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C148 H134 F24 N12 O13 P4 Ru2'
_chemical_formula_sum            'C148 H134 F24 N12 O13 P4 Ru2'
_chemical_formula_weight         3070.79
_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                102.063(5)
_cell_angle_beta                 97.138(5)
_cell_angle_gamma                98.739(5)
_cell_formula_units_Z            1
_cell_length_a                   13.8261(2)
_cell_length_b                   15.1133(2)
_cell_length_c                   17.0233(3)
_cell_measurement_reflns_used    19720
_cell_measurement_temperature    173
_cell_measurement_theta_max      30.0
_cell_measurement_theta_min      1.4
_cell_volume                     3393.14(14)
_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 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details
;
  19720 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   80 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   91 frames
 Set 2 Theta =   -7.90 Kappa =  135.00 Phi   =    0.00   24 frames
 Friedel pairs were 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       19
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            19720
_diffrn_reflns_theta_full        30.01
_diffrn_reflns_theta_max         30.01
_diffrn_reflns_theta_min         2.5
_diffrn_source                   xray_tube
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.371
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.50
_exptl_crystal_density_method    none
_exptl_crystal_description       prism
_exptl_crystal_F_000             1574
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.130
_refine_diff_density_min         -0.941
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.432
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    9
_refine_ls_number_parameters     973
_refine_ls_number_reflns         13069
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.114
_refine_ls_R_factor_gt           0.063
_refine_ls_shift/esd_mean        0.000
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.279
_refine_ls_wR_factor_ref         0.084
_reflns_number_gt                13069
_reflns_number_total             19720
_reflns_threshold_expression     >3.0\s(I)
_cod_data_source_file            ic050246asi20050216_115553_3.cif
_cod_data_source_block           st1497
_cod_original_cell_volume        3393.14(13)
_cod_database_code               4309118