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_4309117
_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         'C66 H60 F12 N6 O2 P2 Ru'
_chemical_formula_sum            'C66 H60 F12 N6 O2 P2 Ru'
_chemical_formula_weight         1360.25
_chemical_name_systematic        ' ?'
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.684(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.5740(3)
_cell_length_b                   14.6694(3)
_cell_length_c                   17.7379(4)
_cell_measurement_reflns_used    15629
_cell_measurement_temperature    173
_cell_measurement_theta_max      30.0
_cell_measurement_theta_min      1.4
_cell_volume                     2996.80(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_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_details
;
  15629 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   50 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   95 frames
 Set 2 Theta =   -8.50 Kappa =  -65.00 Phi   =    0.00   43 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       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            15629
_diffrn_reflns_theta_full        30.05
_diffrn_reflns_theta_max         30.05
_diffrn_reflns_theta_min         2.5
_diffrn_source                   xray_tube
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.404
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.51
_exptl_crystal_density_method    none
_exptl_crystal_description       prism
_exptl_crystal_F_000             1392
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.916
_refine_diff_density_min         -0.169
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   15.201
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     422
_refine_ls_number_reflns         4352
_refine_ls_number_restraints     20
_refine_ls_R_factor_all          0.120
_refine_ls_R_factor_gt           0.044
_refine_ls_shift/esd_mean        0.001
_refine_ls_shift/su_max          0.011
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.711
_refine_ls_wR_factor_ref         0.058
_reflns_number_gt                4352
_reflns_number_total             9086
_reflns_threshold_expression     >3.0\s(I)
_cod_data_source_file            ic050246asi20050216_115553_2.cif
_cod_data_source_block           st1563
_cod_original_cell_volume        2996.8(1)
_cod_database_code               4309117