Stereoselective Synthesis and Coordination Behavior of Phosphorus-Bridged [1.1]Ferrocenophanes
Imamura, Yuki; Mizuta, Tsutomu; Miyoshi, Katsuhiko; Organometallics 25 (2006) 882–; doi:10.1021/om050809q

data_4074700
_publ_section_title
;
 Stereoselective Synthesis and Coordination Behavior of Phosphorus-Bridged
 [1.1]Ferrocenophanes
;
_journal_issue                   4
_journal_name_full               Organometallics
_journal_page_first              882
_journal_paper_doi               10.1021/om050809q
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C54 H46 Fe2 Mn2 O4 P2'
_chemical_formula_weight         1042.47
_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                74.412(1)
_cell_angle_beta                 86.102(1)
_cell_angle_gamma                65.723(1)
_cell_formula_units_Z            2
_cell_length_a                   11.2140(2)
_cell_length_b                   11.4440(2)
_cell_length_c                   20.1810(3)
_cell_measurement_temperature    200.2
_cell_measurement_theta_max      28.0
_cell_volume                     2271.36(7)
_computing_cell_refinement       'HKL(Otwinowski, 1997)'
_computing_data_collection       'HKL(Otwinowski, 1997)'
_computing_data_reduction        'HKL(Otwinowski, 1997)'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    'DIRDIF94 (PATTY)'
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9188
_diffrn_measured_fraction_theta_max 0.9188
_diffrn_measurement_device_type  'MacScience DIP2030 Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            9990
_diffrn_reflns_theta_full        27.94
_diffrn_reflns_theta_max         27.94
_exptl_absorpt_coefficient_mu    1.286
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.524
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.430
_exptl_crystal_size_mid          0.430
_exptl_crystal_size_min          0.080
_refine_diff_density_max         0.58
_refine_diff_density_min         -0.77
_refine_ls_extinction_coef       0.017(2)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_ref   0.999
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     551
_refine_ls_number_reflns         9004
_refine_ls_R_factor_gt           0.0360
_refine_ls_shift/su_max          0.0011
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00391|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0653
_reflns_number_gt                9004
_reflns_number_total             9990
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            om050809qsi20050919_081150.cif
_cod_data_source_block           11
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C54 H46 Fe2 Mn2 O4 P2 '
_cod_database_code               4074700