Synthesis and reactivities of a bis(cyanamido)-capped triruthenium complex.
Tanabe, Yoshiaki; Kajitani, Hidenobu; Iwasaki, Masakazu; Ishii, Youichi; Dalton transactions (Cambridge, England : 2003)  (2007) 4701–4707; doi:10.1039/b708328a

data_7006033
_publ_section_title
;
 Synthesis and reactivities of a bis(cyanamido)-capped triruthenium
 complex.
;
_journal_issue                   41
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4701
_journal_page_last               4707
_journal_paper_doi               10.1039/b708328a
_journal_year                    2007
_chemical_absolute_configuration 'CHOOSE rm ad rmad syn or unk'
_chemical_formula_moiety         'C56 H66 Au N4 P Ru3 '
_chemical_formula_sum            'C56 H66 Au N4 P Ru3'
_chemical_formula_weight         1326.31
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   10.950(5)
_cell_length_b                   16.413(7)
_cell_length_c                   29.531(14)
_cell_measurement_reflns_used    37773
_cell_measurement_temperature    108.1
_cell_measurement_theta_max      27.6
_cell_measurement_theta_min      3.0
_cell_volume                     5307(4)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    DirectMethod
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.113
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            46581
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    3.672
_exptl_absorpt_correction_T_max  0.832
_exptl_absorpt_correction_T_min  0.639
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
Higashi, T. (1999). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.660
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             2624.00
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.96
_refine_diff_density_min         -2.00
_refine_ls_abs_structure_details
'Flack, H. D. (1983), Acta Cryst. A39, 876-881. 5352 Friedel Pairs'
_refine_ls_abs_structure_Flack   -0.004(6)
_refine_ls_extinction_coef       31(12)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     654
_refine_ls_number_reflns         6926
_refine_ls_R_factor_gt           0.0411
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.0003Fo^2^ + 0.3880\s(Fo^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0431
_reflns_number_gt                6839
_reflns_number_total             12000
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b708328a.txt
_cod_data_source_block           '__[(Cp*Ru)3(NCN){(NCN)Au(PPh3)}].C6H6'
_cod_original_formula_sum        'C56 H66 Au N4 P Ru3 '
_cod_database_code               7006033