data_3000045
loop_
_publ_author_name
'Stephanie Hurst'
_publ_section_title
;
 
;
_journal_name_full               'To be published in Tetrahedron Letters'
_diffrn_ambient_temperature      150
_cell_measurement_temperature    150
_chemical_formula_sum            'C48 H42 B2 F8 Fe P2'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_length_a                   8.0308(6)
_cell_length_b                   10.9214(8)
_cell_length_c                   13.6971(10)
_cell_angle_alpha                111.541(2)
_cell_angle_beta                 106.715(2)
_cell_angle_gamma                92.889(2)
_cell_volume                     1053.68(14)
_diffrn_radiation_wavelength     0.7749
_refine_ls_R_factor_all          0.0431
_refine_ls_R_factor_gt           0.0334
_refine_ls_wR_factor_gt          0.0794
_refine_ls_wR_factor_ref         0.0838
_refine_ls_goodness_of_fit_ref   1.037
_cod_hold_until_date             2015-10-11
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
