Redox-active tetraruthenium metallacycles: reversible release of up to eight electrons resulting in strong electrochromism
Daniel Fink; Bernhard Weibert; Rainer F. Winter; Chem.Commun. 52 (2016) 6103–; doi:

data_7119054
_publ_section_title
;
 Redox-active tetraruthenium metallacycles: reversible release of up to
 eight electrons resulting in strong electrochromism
;
_journal_name_full               Chem.Commun.
_journal_page_first              6103
_journal_volume                  52
_journal_year                    2016
_chemical_formula_moiety         'C140 H218 N2 O16 P8 Ru4, 8(C H2 Cl2)'
_chemical_formula_sum            'C148 H234 Cl16 N2 O16 P8 Ru4'
_chemical_formula_weight         3516.60
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-01-28 deposited with the CCDC.
2016-03-29 downloaded from the CCDC.
;
_cell_angle_alpha                94.410(12)
_cell_angle_beta                 99.289(12)
_cell_angle_gamma                107.587(12)
_cell_formula_units_Z            1
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_cell_length_b                   16.816(2)
_cell_length_c                   23.594(4)
_cell_measurement_reflns_used    20819
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      24.74
_cell_measurement_theta_min      1.45
_cell_volume                     4297.1(12)
_computing_cell_refinement       'STOE X-AREA'
_computing_data_collection       'STOE X-AREA'
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'STOE IPDS 2T'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.2398
_diffrn_reflns_av_unetI/netI     0.1809
_diffrn_reflns_Laue_measured_fraction_full 0.999
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_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            58713
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.028
_diffrn_reflns_theta_min         1.651
_exptl_absorpt_coefficient_mu    0.724
_exptl_absorpt_correction_T_max  0.9823
_exptl_absorpt_correction_T_min  0.8354
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'STOE X-RED32'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.359
_exptl_crystal_description       plate
_exptl_crystal_F_000             1832
_exptl_crystal_size_max          0.400
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_refine_diff_density_max         1.056
_refine_diff_density_min         -1.347
_refine_diff_density_rms         0.154
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
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_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.1538
_refine_ls_R_factor_gt           0.0951
_refine_ls_shift/su_max          5.603
_refine_ls_shift/su_mean         0.074
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1375P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2303
_refine_ls_wR_factor_ref         0.2646
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9590
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6cc00936k2.cif
_cod_data_source_block           added_by_encifer_1
_cod_original_cell_volume        4297.0(12)
_cod_database_code               7119054
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              39818