Synthesis and Redox Properties of Crowded Triarylphosphines Possessing Ferrocenyl Groups
Sutoh, Katsuhide; Sasaki, Shigeru; Yoshifuji, Masaaki; Inorganic Chemistry 45 (2006) 992–998; doi:10.1021/ic051038l

data_4331558
_publ_section_title
;
 Synthesis and Redox Properties of Crowded Triarylphosphines Possessing
 Ferrocenyl Groups
;
_journal_issue                   3
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              992
_journal_page_last               998
_journal_paper_doi               10.1021/ic051038l
_journal_volume                  45
_journal_year                    2006
_chemical_formula_moiety         'C66 H75 Fe3 P, 0.5(C6 H14)'
_chemical_formula_sum            'C69 H82 Fe3 P'
_chemical_formula_weight         1109.92
_chemical_melting_point          464.0
_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                102.842(1)
_cell_angle_beta                 109.590(2)
_cell_angle_gamma                90.417(3)
_cell_formula_units_Z            2
_cell_length_a                   14.3594(6)
_cell_length_b                   20.6361(7)
_cell_length_c                   10.6119(5)
_cell_measurement_reflns_used    19580
_cell_measurement_temperature    90.2
_cell_measurement_theta_max      25.5
_cell_measurement_theta_min      1.0
_cell_volume                     2876.9(2)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.9417
_diffrn_measured_fraction_theta_max 0.9417
_diffrn_measurement_device_type  'Rigaku RAXIS-IV Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.043
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            25230
_diffrn_reflns_theta_full        25.51
_diffrn_reflns_theta_max         25.51
_exptl_absorpt_coefficient_mu    0.814
_exptl_absorpt_correction_T_max  0.922
_exptl_absorpt_correction_T_min  0.727
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.281
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_size_max          0.450
_exptl_crystal_size_mid          0.450
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.89
_refine_diff_density_min         -0.71
_refine_ls_extinction_coef       0.0070(7)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_ref   1.283
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     659
_refine_ls_number_reflns         10086
_refine_ls_R_factor_gt           0.0382
_refine_ls_shift/su_max          0.0020
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00090|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0563
_reflns_number_gt                8663
_reflns_number_total             10086
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic051038lsup1.cif
_cod_data_source_block           ar3p2
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C69 H82 Fe3 P '
_cod_database_code               4331558