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_4074697
_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            'C33.5 H27.5 Cl6.5 Fe2 P2 Pd'
_chemical_formula_weight         940.57
_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                 100.194(1)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   29.4370(4)
_cell_length_b                   12.6920(2)
_cell_length_c                   18.8550(2)
_cell_measurement_temperature    200.2
_cell_measurement_theta_max      28.0
_cell_volume                     6933.30(16)
_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 0.4850
_diffrn_measured_fraction_theta_max 0.4850
_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       38
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            8382
_diffrn_reflns_theta_full        27.93
_diffrn_reflns_theta_max         27.93
_exptl_absorpt_coefficient_mu    1.957
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.802
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cube
_exptl_crystal_size_max          0.430
_exptl_crystal_size_mid          0.350
_exptl_crystal_size_min          0.350
_refine_diff_density_max         1.57
_refine_diff_density_min         -1.28
_refine_ls_extinction_coef       0.0011(3)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_ref   1.219
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     425
_refine_ls_number_reflns         7691
_refine_ls_R_factor_gt           0.0527
_refine_ls_shift/su_max          0.0093
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.01000|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1247
_reflns_number_gt                7691
_reflns_number_total             8074
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            om050809qsi20050919_081150.cif
_cod_data_source_block           8
_cod_original_cell_volume        6933.3(2)
_cod_original_formula_sum        'C33.50 H27.50 Cl6.50 Fe2 P2 Pd '
_cod_database_code               4074697