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_4074696
_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_moiety         'C28 H36 Fe2 N2 P2 '
_chemical_formula_sum            'C28 H36 Fe2 N2 P2'
_chemical_formula_weight         574.25
_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                 93.181(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.8220(4)
_cell_length_b                   7.5090(2)
_cell_length_c                   16.8660(5)
_cell_measurement_temperature    200.2
_cell_measurement_theta_max      27.9
_cell_volume                     2632.98(12)
_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    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9613
_diffrn_measured_fraction_theta_max 0.9613
_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       26
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       0
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_diffrn_reflns_theta_max         27.92
_exptl_absorpt_coefficient_mu    1.242
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.449
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cubic
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.280
_refine_diff_density_max         0.50
_refine_diff_density_min         -0.48
_refine_ls_extinction_coef       0.012(2)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 Gaussian isotropic'
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_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     227
_refine_ls_number_reflns         2861
_refine_ls_R_factor_gt           0.0387
_refine_ls_shift/su_max          0.0018
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00526|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0743
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_reflns_threshold_expression     F^2^>3.0\s(F^2^)
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_cod_original_cell_volume        2633.0(1)
_cod_original_formula_sum        'C28 H36 Fe2 N2 P2 '
_cod_database_code               4074696