Communication between Remote Moieties in Linear Ru-Ru-Ru Trimetallic Cyanide-Bridged Complexes
German E. Pieslinger; Pablo Albores; Leonardo D. Slep; Benjamin J. Coe; Cliff J. Timpson; Luis M. Baraldo; Inorganic Chemistry 52 (2013) 2906–2917; doi:10.1021/ic302173g

data_4334111
_publ_section_title
;
 Communication between Remote Moieties in Linear Ru-Ru-Ru Trimetallic
 Cyanide-Bridged Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2906
_journal_page_last               2917
_journal_paper_doi               10.1021/ic302173g
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'C23.33333 H25 Cl F6 N5.66667 P Ru'
_chemical_formula_weight         666.31
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
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_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                106.087(3)
_cell_angle_beta                 96.283(3)
_cell_angle_gamma                91.359(3)
_cell_formula_units_Z            6
_cell_length_a                   13.5937(6)
_cell_length_b                   17.2601(6)
_cell_length_c                   19.7770(7)
_cell_measurement_temperature    298(2)
_cell_volume                     4424.7(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_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  0.0582
_diffrn_reflns_av_sigmaI/netI    0.0588
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            56007
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         3.54
_exptl_absorpt_coefficient_mu    0.737
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.82549
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.500
_exptl_crystal_description       rod
_exptl_crystal_F_000             2008
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_platon_squeeze_details
;
;
_refine_diff_density_max         0.726
_refine_diff_density_min         -0.556
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1032
_refine_ls_number_reflns         19079
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0731
_refine_ls_R_factor_gt           0.0511
_refine_ls_shift/su_max          0.047
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0783P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1358
_refine_ls_wR_factor_ref         0.1529
_reflns_number_gt                13930
_reflns_number_total             19079
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic302173g_si_002_1.cif
_cod_data_source_block           1
_cod_original_cell_volume        4424.6(3)
_cod_database_code               4334111