Trichromophoric Systems from Square-Planar Pt-Ethynylbipyridine and Octahedral Ru- and Os-Bipyridine Centers: Syntheses, Structures, Electrochemical Behavior, and Bipartition of Energy Transfer
Barbara Ventura; Andrea Barbieri; Francesco Barigelletti; Julie Batcha Seneclauze; Pascal Retailleau; Raymond Ziessel; Inorganic Chemistry 47 (2008) 7048–7058; doi:10.1021/ic800768v

data_4305835
_publ_contact_author_address
;Instituto per la Sintesi Organica e la Fotoreattivit\`a
Consiglio Nazionale delle Ricerche (ISOF-CNR)
Via P. Gobetti 101
40129 Bologna
Italy

Laboratoire de Chimie
Universit\'e Louis Pasteur, d'Electronique et de Photonique Moleculaires
ECPM, 1 rue Blaise Pascal
Strasbourg
F-67008
FRANCE

;
_publ_contact_author_email
'bventura@isof.cnr.it; ziessel@chimie.u-strasbg.fr'
_publ_contact_author_fax         '33 3 90242635'
_publ_contact_author_name
;Barbara Ventura; Raymond Ziessel

;
_publ_contact_author_phone       '33 3 90242689'
_publ_section_title
;
Trichromophoric Systems from Square-Planar Pt-Ethynylbipyridine and
Octahedral Ru- and Os-Bipyridine Centers: Syntheses, Structures,
Electrochemical Behavior, and Bipartition of Energy Transfer
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7048
_journal_page_last               7058
_journal_paper_doi               10.1021/ic800768v
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         'C42 H38 N6 Pt, C H2 Cl2, C6 H12, C H4 O'
_chemical_formula_sum            'C50 H56 Cl2 N6 O Pt'
_chemical_formula_weight         1023
_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'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             27-02-08
_audit_creation_method           SHELXL-97
_cell_angle_alpha                80.24(3)
_cell_angle_beta                 86.36(3)
_cell_angle_gamma                61.93(4)
_cell_formula_units_Z            2
_cell_length_a                   13.383(1)
_cell_length_b                   13.710(1)
_cell_length_c                   14.576(2)
_cell_measurement_reflns_used    5685
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.108
_cell_measurement_theta_min      0.998
_cell_volume                     2325.3(10)
_computing_cell_refinement
'DENZO (Otwinowski & Minor, 1997) COLLECT (Hooft, 1998)'
_computing_data_collection
'DENZO (Otwinowski & Minor, 1997) COLLECT (Hooft, 1998)'
_computing_data_reduction        'HKL package (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'PLATON (Spek, 1980-2004)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'Nonius kappa-CCD diffractometer'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0416
_diffrn_reflns_av_sigmaI/netI    0.0724
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            16783
_diffrn_reflns_theta_full        24.45
_diffrn_reflns_theta_max         24.45
_diffrn_reflns_theta_min         2.11
_exptl_absorpt_coefficient_mu    3.18
_exptl_absorpt_correction_T_max  0.566
_exptl_absorpt_correction_T_min  0.442
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Scalepack(Otwinowski & Minor, 1997)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.461
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1036
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.18
_platon_squeeze_details          ' ?'
_refine_diff_density_max         0.655
_refine_diff_density_min         -1.063
_refine_diff_density_rms         0.113
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.988
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     497
_refine_ls_number_reflns         7471
_refine_ls_number_restraints     114
_refine_ls_restrained_S_all      0.981
_refine_ls_R_factor_all          0.0666
_refine_ls_R_factor_gt           0.0443
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0611P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1016
_refine_ls_wR_factor_ref         0.1119
_reflns_number_gt                5647
_reflns_number_total             7473
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic800768v-file003.cif
_cod_data_source_block           jbs139sqz
_cod_database_code               4305835