Michael addition of N-bonded enolato ligands to acrylonitrile in iron and ruthenium complexes
Hirano, Masafumi; Kiyota, Sayori; Imoto, Masataka; Komiya, Sanshiro; Chemical Communications  (2000) 1679–; doi:10.1039/b004099l

data_7115172
_publ_section_title
;
 Michael addition of N-bonded enolato ligands to acrylonitrile in iron and
 ruthenium complexes
;
_journal_issue                   17
_journal_name_full               'Chemical Communications'
_journal_page_first              1679
_journal_paper_doi               10.1039/b004099l
_journal_year                    2000
_chemical_formula_sum            'C29 H67 Fe N O4 P4'
_chemical_formula_weight         673.59
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.68(4)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   32.31(2)
_cell_length_b                   13.63(1)
_cell_length_c                   17.54(1)
_cell_measurement_reflns_used    22
_cell_measurement_temperature    113.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.9
_cell_volume                     7178(8)
_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    SAPI91
_diffrn_measured_fraction_theta_full 0.9960
_diffrn_measured_fraction_theta_max 0.9960
_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  0.046
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            6421
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_standards_decay_%        2.91
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.630
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.746
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.246
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_size_max          0.95
_exptl_crystal_size_mid          0.85
_exptl_crystal_size_min          0.70
_refine_diff_density_max         0.90
_refine_diff_density_min         -0.50
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_number_parameters     327
_refine_ls_number_reflns         4391
_refine_ls_R_factor_gt           0.0536
_refine_ls_shift/su_max          3.5692
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00801|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0976
_reflns_number_gt                4391
_reflns_number_total             6302
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            b004099l.txt
_cod_data_source_block           FeH(NCCHCO2Et)(depe)2
_cod_original_cell_volume        7179(8)
_cod_original_formula_sum        'C29 H67 Fe N O4 P4 '
_cod_database_code               7115172