Exploring the Photocatalytic Properties and the Long-Lifetime Chemosensor Ability of Cl2[Ru(Bpy)2L] (L = 2,5,8,11,14-Pentaaza[15])-2,2'-bipyridilophane)
Carlos Lodeiro; Fernando Pina; A. Jorge Parola; Andrea Bencini; Antonio Bianchi; Carla Bazzicalupi; Samuele Ciattini; Claudia Giorgi; Andrea Masotti; Barbara Valtancoli; J. Seixas de Melo; Inorganic Chemistry 40 (2001) 6813–6819; doi:10.1021/ic0105213

data_4320698
_publ_section_title
;
 Exploring the Photocatalytic Properties and the Long-Lifetime Chemosensor
 Ability of Cl2[Ru(Bpy)2L] (L =
 2,5,8,11,14-Pentaaza[15])-2,2'-bipyridilophane)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6813
_journal_page_last               6819
_journal_paper_doi               10.1021/ic0105213
_journal_volume                  40
_journal_year                    2001
_chemical_formula_moiety
;
(Ru 2+), (C20 H34 n7 3+), (C10 H8 N2)2, (Cl O4 -)5, (H2 O)
;
_chemical_formula_sum            'C40 H52 Cl5 N11 O21 Ru'
_chemical_formula_weight         1301.25
_chemical_name_systematic
;
  ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 109.37(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.380(4)
_cell_length_b                   13.147(5)
_cell_length_c                   22.931(7)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      12
_cell_measurement_theta_min      9
_cell_volume                     5227(3)
_computing_cell_refinement       'ENRAF NONIUS CAD4'
_computing_data_collection       'ENRAF NONIUS CAD4'
_computing_data_reduction        'ENRAF NONIUS CAD4'
_computing_molecular_graphics    'ORTEP3 (Farrugia, 1997)'
_computing_publication_material  'PARST97 (Nardelli, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare, 1999)'
_diffrn_ambient_temperature      298
_diffrn_measured_fraction_theta_full 0.634
_diffrn_measured_fraction_theta_max 0.634
_diffrn_measurement_device_type  'ENRAF NONIUS CAD4'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0884
_diffrn_reflns_av_sigmaI/netI    0.1586
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            9593
_diffrn_reflns_theta_full        24.05
_diffrn_reflns_theta_max         24.05
_diffrn_reflns_theta_min         2.53
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  60
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.644
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.653
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallelepipedon
_exptl_crystal_F_000             2664
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.599
_refine_diff_density_min         -0.511
_refine_diff_density_rms         0.096
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    refU
_refine_ls_matrix_type           full
_refine_ls_number_parameters     512
_refine_ls_number_reflns         5235
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.003
_refine_ls_R_factor_all          0.1657
_refine_ls_R_factor_gt           0.0558
_refine_ls_shift/su_max          0.028
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0898P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1336
_refine_ls_wR_factor_ref         0.1677
_reflns_number_gt                2721
_reflns_number_total             5235
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0105213.cif
_cod_data_source_block           '[H3LRu(bipy)2](ClO4)5.H2O'
_cod_database_code               4320698