A ladder based on paddlewheel diruthenium(ii, ii) rails connected by TCNQ rungs: a polymorph of the hexagonal 2-D network phase
Motokawa, Natsuko; Oyama, Tomomi; Matsunaga, Satoshi; Miyasaka, Hitoshi; Sugimoto, Kunihisa; Yamashita, Masahiro; Lopez, Nazario; Dunbar, Kim R.; Dalton Transactions  (2008) 4099–4102; doi:10.1039/b808503j

data_7004557
_publ_section_title
;
 A ladder based on paddlewheel diruthenium(ii, ii) rails connected by
 TCNQ rungs: a polymorph of the hexagonal 2-D network phase
;
_journal_issue                   31
_journal_name_full               'Dalton Transactions'
_journal_page_first              4099
_journal_page_last               4102
_journal_paper_doi               10.1039/b808503j
_journal_year                    2008
_chemical_formula_moiety         'C56 H32 Cl4 F24 N4 O16 Ru4 '
_chemical_formula_sum            'C56 H32 Cl4 F24 N4 O16 Ru4'
_chemical_formula_weight         2018.94
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                75.1093(9)
_cell_angle_beta                 81.2134(10)
_cell_angle_gamma                86.8650(10)
_cell_formula_units_Z            1
_cell_length_a                   10.0147(4)
_cell_length_b                   11.2143(4)
_cell_length_c                   16.1954(7)
_cell_measurement_reflns_used    12155
_cell_measurement_temperature    93.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     1736.93(12)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SHELXS97
_diffrn_detector_area_resol_mean 7.14
_diffrn_measured_fraction_theta_full 0.958
_diffrn_measured_fraction_theta_max 0.958
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.029
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            14149
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    1.138
_exptl_absorpt_correction_T_max  0.945
_exptl_absorpt_correction_T_min  0.796
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.930
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             984.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.54
_refine_diff_density_min         -0.99
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     515
_refine_ls_number_reflns         11001
_refine_ls_R_factor_gt           0.0410
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0015Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1228
_reflns_number_gt                6012
_reflns_number_total             7621
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b808503j.txt
_cod_data_source_block           '_[Ru2(O2CCF3)4]2[TCNQ](4-C'
_cod_original_cell_volume        1736.94(12)
_cod_original_formula_sum        'C56 H32 Cl4 F24 N4 O16 Ru4 '
_cod_database_code               7004557