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data_a
_audit_creation_method        'Created with Diamond (www.crystalimpact.com)'
_audit_creation_date        11-08-25
_audit_update_record        11-08-25
_chemical_formula_sum        'C30 H20 B F15 N O'
_chemical_formula_weight        706.280
_refine_ls_R_factor_all        0.069
_cell_length_a        14.624(5)
_cell_length_b        19.633(6)
_cell_length_c        41.594(13)
_cell_angle_alpha        90.000
_cell_angle_beta        90.000
_cell_angle_gamma        90.000
_cell_volume        11942.2(70)
_cell_formula_units_Z        16
_symmetry_int_tables_number        61
_symmetry_space_group_name_H-M        'P b c a'
_symmetry_space_group_name_Hall        '-P_2ac_2ab'

loop_
_atom_type_symbol
_atom_type_oxidation_number
_atom_type_radius_bond
C        ?        1.200
H        ?        1.200
F        ?        1.200
O        ?        1.200
N        ?        1.200
B        ?        1.200


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[ Last edited by Öî¸ðÉñú— on 2013-7-13 at 14:30 ]
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