Unexpected results of enyne metathesis using a ruthenium complex containing an N-heterocyclic carbene ligand
Kitamura, Tsuyoshi; Sato, Yoshihiro; Mori, Miwako; Chemical Communications  (2001) 1258–; doi:10.1039/b101453f

data_7115007
_publ_section_title
;
 Unexpected results of enyne metathesis using a ruthenium complex
 containing an N-heterocyclic carbene ligand
;
_journal_issue                   14
_journal_name_full               'Chemical Communications'
_journal_page_first              1258
_journal_paper_doi               10.1039/b101453f
_journal_year                    2001
_chemical_formula_moiety         'C19 H20 N4 O8 '
_chemical_formula_sum            'C19 H20 N4 O8'
_chemical_formula_weight         432.39
_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                97.89(1)
_cell_angle_beta                 97.23(1)
_cell_angle_gamma                63.57(1)
_cell_formula_units_Z            2
_cell_length_a                   11.554(2)
_cell_length_b                   11.813(2)
_cell_length_c                   8.2501(9)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      14.4
_cell_measurement_theta_min      11.8
_cell_volume                     996.1(3)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    MULTAN88
_diffrn_measured_fraction_theta_full 1.0013
_diffrn_measured_fraction_theta_max 1.0013
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.020
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            4796
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_standards_decay_%        1.57
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.114
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.441
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.10
_refine_diff_density_min         -0.12
_refine_ls_extinction_coef       0.009(4)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_ref   1.181
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     361
_refine_ls_number_reflns         2038
_refine_ls_R_factor_gt           0.0380
_refine_ls_shift/su_max          0.0028
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.05000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1006
_reflns_number_gt                2038
_reflns_number_total             4569
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            b101453f.txt
_cod_data_source_block           master_file_afc7r.xtl
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C19 H20 N4 O8 '
_cod_database_code               7115007