The first solid state structure of a triruthenium polypyridyl complex.
Polson, Matthew I J; Hanan, Garry S; Taylor, Nicholas J; Hasenknopf, Bernold; Thouvenot, René; Chemical communications (Cambridge, England)  (2004) 1314–1315; doi:10.1039/b401276c

data_7102649
_publ_section_title
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 The first solid state structure of a triruthenium polypyridyl complex.
;
_journal_issue                   11
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              1314
_journal_page_last               1315
_journal_paper_doi               10.1039/b401276c
_journal_year                    2004
_chemical_formula_sum            'C90.7 H79.05 F36 N24.35 P6 Ru3'
_chemical_formula_weight         2683.16
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_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                116.385(6)
_cell_angle_beta                 95.147(6)
_cell_angle_gamma                96.653(6)
_cell_formula_units_Z            2
_cell_length_a                   12.406(3)
_cell_length_b                   22.388(6)
_cell_length_c                   22.576(6)
_cell_measurement_temperature    150(2)
_cell_volume                     5509(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.902
_diffrn_measured_fraction_theta_max 0.902
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1274
_diffrn_reflns_av_sigmaI/netI    0.1625
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            34439
_diffrn_reflns_theta_full        25.93
_diffrn_reflns_theta_max         25.93
_diffrn_reflns_theta_min         1.67
_exptl_absorpt_coefficient_mu    0.610
_exptl_crystal_density_diffrn    1.618
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2679
_refine_diff_density_max         1.664
_refine_diff_density_min         -1.110
_refine_diff_density_rms         0.150
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.595
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1219
_refine_ls_number_reflns         19390
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.595
_refine_ls_R_factor_all          0.1667
_refine_ls_R_factor_gt           0.0966
_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^)+(0.0200P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1848
_refine_ls_wR_factor_ref         0.1970
_reflns_number_gt                10319
_reflns_number_total             19390
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b401276c.txt
_cod_data_source_block           ru1057m
_cod_original_formula_sum        'C90.70 H79.05 F36 N24.35 P6 Ru3'
_cod_database_code               7102649