Ruthenium nitronate complexes as tunable catalysts for olefin metathesis and other transformations
Tomasz Wdowik; Cezary Samojlowicz; Magdalena Jawiczuk; Maura Malinska; Krzysztof Wozniak; Karol Grela; Chem.Commun. 49 (2013) 674–; doi:10.1039/c2cc37385h

data_7108770
_publ_section_title
;
 Ruthenium nitronate complexes as tunable catalysts for olefin metathesis
 and other transformations
;
_journal_name_full               Chem.Commun.
_journal_page_first              674
_journal_paper_doi               10.1039/c2cc37385h
_journal_volume                  49
_journal_year                    2013
_chemical_formula_moiety         'C47 H73 Cl N3 O2 P Ru'
_chemical_formula_sum            'C47 H73 Cl N3 O2 P Ru'
_chemical_formula_weight         879.57
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 94.636(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.9004(18)
_cell_length_b                   14.2899(13)
_cell_length_c                   24.009(2)
_cell_measurement_temperature    100(2)
_cell_volume                     5095.4(9)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'WINGX, MERCURY'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Kappa ApexII Ultra CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  'multi-layer optics'
_diffrn_radiation_source         'TXS rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.2302
_diffrn_reflns_av_sigmaI/netI    0.1558
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            117503
_diffrn_reflns_theta_full        25.12
_diffrn_reflns_theta_max         25.12
_diffrn_reflns_theta_min         1.37
_exptl_absorpt_coefficient_mu    0.427
_exptl_absorpt_correction_T_max  0.9626
_exptl_absorpt_correction_T_min  0.9119
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
SADABS-2008/1 - Bruker AXS area detector scaling and absorption correction
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.147
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1872
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.09
_refine_diff_density_max         2.568
_refine_diff_density_min         -1.153
_refine_diff_density_rms         0.154
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.103
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     497
_refine_ls_number_reflns         9009
_refine_ls_number_restraints     80
_refine_ls_restrained_S_all      1.099
_refine_ls_R_factor_all          0.2101
_refine_ls_R_factor_gt           0.1418
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1126P)^2^+70.6126P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2919
_refine_ls_wR_factor_ref         0.3247
_reflns_number_gt                5506
_reflns_number_total             9009
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2cc37385h.txt
_cod_data_source_block           ru6
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7108770