谁有CCDC软件,帮我查一个有机物晶体：Cas号：140681-55-6

谁有CCDC软件,帮我查一个有机物晶体：Cas号：140681-55-6
Cas号：140681-55-6

IUPAC： 1-(chloromethyl)-4-fluoro-1,4-diazo niabicyclo[2.2.2]octane ditetrafluoroborate
商品名：Selectfluor
 
 
麻烦吧CIF文件用记事本打开,把里面的文本贴出来吧.
如果实在太长无法贴出来的话,就贴一部分,完整的贴在别的地方(诸如百度贴吧之类). 暂时就不留邮箱了,除非没别的办法.

cif 文件如下
data_CSD_CIF_WABSOH
_audit_creation_date 1993-06-17
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD WABSOH
_chemical_formula_sum 'C7 H14 B2 Cl1 F9 N2'
_symmetry_cell_setting orthorhombic
_symmetry_space_group_name_H-M 'P n m a'
_symmetry_Int_Tables_number 62
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,1/2+y,1/2+z
3 x,1/2-y,z
4 1/2-x,-y,1/2+z
5 -x,-y,-z
6 -1/2+x,-1/2-y,-1/2-z
7 -x,-1/2+y,-z
8 -1/2+x,y,-1/2-z
_cell_length_a 12.599(6)
_cell_length_b 7.653(3)
_cell_length_c 14.094(7)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
B 0.83
Cl 0.99
F 0.64
N 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cl1 Cl 0.5095(3) 0.25000 0.5273(3)
F1 F 0.0703(7) 0.25000 0.7362(7)
N1 N 0.2977(8) 0.25000 0.5539(8)
N2 N 0.1501(10) 0.25000 0.670(1)
C1 C 0.3847(12) 0.25000 0.4787(10)
C2 C 0.1928(12) 0.25000 0.5038(11)
C3 C 0.1034(13) 0.25000 0.5740(14)
C4 C 0.2143(8) 0.4102(14) 0.6830(7)
C5 C 0.3054(7) 0.4094(14) 0.6158(6)
B1? B 0.5397(7) 0.2659(25) 1.2379(7)
F2? F 0.4974(21) 0.3908(33) 1.2952(11)
F3? F 0.6471(7) 0.2646(65) 1.2479(14)
F4? F 0.5144(15) 0.3010(28) 1.1461(7)
F5? F 0.5000(31) 0.1069(26) 1.2625(19)
B2? B 0.5416(14) 0.2358(34) 1.2328(16)
F6? F 0.4553(23) 0.1811(55) 1.2825(24)
F7? F 0.5524(28) 0.1369(60) 1.1532(22)
F8? F 0.6300(21) 0.2191(68) 1.2874(25)
F9? F 0.5289(39) 0.4062(37) 1.2079(37)
B3? B 0.7965(6) 0.2312(19) 0.5792(5)
F10? F 0.7503(15) 0.3918(21) 0.5814(16)
F11? F 0.8698(7) 0.2196(33) 0.6498(7)
F12? F 0.8449(11) 0.2072(32) 0.4920(7)
F13? F 0.7212(11) 0.1061(25) 0.5918(11)
B4? B 0.8148(18) 0.2240(35) 0.5499(17)
F14? F 0.7736(26) 0.2911(53) 0.4685(20)
F15? F 0.8927(25) 0.1075(40) 0.5282(27)
F16? F 0.7370(33) 0.1419(53) 0.5997(31)
F17? F 0.8562(30) 0.3554(45) 0.6033(29)
H1 H 0.37730 0.35130 0.44080
H2 H 0.18770 0.35130 0.46470
H3 H 0.06030 0.35130 0.56590
H4 H 0.24070 0.41560 0.74620
H5 H 0.37040 0.40560 0.65040
H1B H 0.37730 0.14870 0.44080
C5B C 0.3054(7) 0.0906(14) 0.6158(6)
H2B H 0.18770 0.14870 0.46470
H3B H 0.06030 0.14870 0.56590
C4B C 0.2143(8) 0.0898(14) 0.6830(7)
H5B H 0.37040 0.09440 0.65040
H4B H 0.24070 0.08440 0.74620