Cyclopropanation of Ru-diimino-pyridine ligand complexes.
Brown, Christopher C.; Stephan, Douglas W.; Dalton transactions (Cambridge, England : 2003) 39 (2010) 7211–7213; doi:10.1039/c0dt00437e

data_7026448
_publ_section_title
;
 Cyclopropanation of Ru-diimino-pyridine ligand complexes.
;
_journal_issue                   31
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7211
_journal_page_last               7213
_journal_paper_doi               10.1039/c0dt00437e
_journal_volume                  39
_journal_year                    2010
_chemical_formula_sum            'C48 H63 Cl6 N3 O0.5 P Ru'
_chemical_formula_weight         1034.75
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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                91.817(3)
_cell_angle_beta                 103.746(4)
_cell_angle_gamma                93.184(3)
_cell_formula_units_Z            2
_cell_length_a                   12.5917(8)
_cell_length_b                   12.8624(7)
_cell_length_c                   15.5806(10)
_cell_measurement_temperature    150(2)
_cell_volume                     2444.7(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 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71072
_diffrn_reflns_av_R_equivalents  0.0914
_diffrn_reflns_av_sigmaI/netI    0.0863
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            29008
_diffrn_reflns_theta_full        22.89
_diffrn_reflns_theta_max         22.89
_diffrn_reflns_theta_min         1.67
_exptl_absorpt_coefficient_mu    0.719
_exptl_absorpt_correction_T_max  0.7448
_exptl_absorpt_correction_T_min  0.6616
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.406
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1074
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.840
_refine_diff_density_min         -1.012
_refine_diff_density_rms         0.096
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     551
_refine_ls_number_reflns         6567
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.0939
_refine_ls_R_factor_gt           0.0552
_refine_ls_shift/su_max          0.049
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0670P)^2^+4.4181P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1253
_refine_ls_wR_factor_ref         0.1445
_reflns_number_gt                4584
_reflns_number_total             6567
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt00437e.txt
_cod_data_source_block           C6H3N(CMe=NC6H5)(C(CH2CHPh)NHC6H4R)RuCl2(PCy3)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C48 H63 Cl6 N3 O0.50 P Ru'
_cod_database_code               7026448