Emissive cyanide-bridged bimetallic compounds as building blocks for polymeric antennae.
Cadranel, Alejandro; Aramburu Trošelj, Bruno M; Yamazaki, Shiori; Alborés, Pablo; Kleiman, Valeria D.; Baraldo, Luis M.; Dalton transactions (Cambridge, England : 2003) 42 (2013) 16723–16732; doi:10.1039/c3dt51164b

data_7023872
_publ_section_title
;
 Emissive cyanide-bridged bimetallic compounds as building blocks for
 polymeric antennae.
;
_journal_issue                   48
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16723
_journal_page_last               16732
_journal_paper_doi               10.1039/c3dt51164b
_journal_volume                  42
_journal_year                    2013
_chemical_formula_sum            'C55 H39 N11 O4.5 Os P Ru'
_chemical_formula_weight         1248.21
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                101.641(3)
_cell_angle_beta                 96.360(3)
_cell_angle_gamma                114.494(4)
_cell_formula_units_Z            2
_cell_length_a                   12.9482(5)
_cell_length_b                   13.3888(5)
_cell_length_c                   17.3370(6)
_cell_measurement_reflns_used    49359
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.4246
_cell_measurement_theta_min      3.5921
_cell_volume                     2614.3(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean 16.1158
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0799
_diffrn_reflns_av_sigmaI/netI    0.0304
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            113812
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         3.60
_exptl_absorpt_coefficient_mu    2.805
_exptl_absorpt_correction_T_max  0.812
_exptl_absorpt_correction_T_min  0.393
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.51 (release 27-10-2009 CrysAlis171 .NET)
(compiled Oct 27 2009,12:04:35)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.586
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1234
_exptl_crystal_size_max          0.47
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.427
_refine_diff_density_min         -1.843
_refine_diff_density_rms         0.114
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     651
_refine_ls_number_reflns         11376
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.0535
_refine_ls_R_factor_gt           0.0375
_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^)+(0.0652P)^2^+2.8946P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0993
_refine_ls_wR_factor_ref         0.1113
_reflns_number_gt                9282
_reflns_number_total             11376
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt51164b.txt
_cod_data_source_block           6a
_cod_original_cell_volume        2614.29(17)
_cod_original_formula_sum        'C55 H39 N11 O4.50 Os P Ru'
_cod_database_code               7023872