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xcl0925

木虫 (正式写手)

[求助] 15金币求助苯并噻吩晶体CIF文件

求助苯并噻吩晶体CIF文件。
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佛陀

新虫 (正式写手)

【答案】应助回帖

xcl0925(金币+10): 我需要的是CIF文件,不过还是谢谢了 2011-11-20 08:56:17
data_CSD_CIF_CIWBEP
_audit_creation_date 1985-03-28
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD CIWBEP
_chemical_formula_sum 'C8 H6 S1'
_chemical_formula_moiety
;
C8 H6 S1
;
_journal_coden_Cambridge 621
_journal_volume 40
_journal_year 1984
_journal_page_first C277
_journal_name_full 'Acta Crystallogr.,Sect.A:Found Crystallogr. '
loop_
_publ_author_name
"Z.Ali-Adib"
"A.Rawas"
"H.H.Sutherland"
_chemical_name_systematic
;
Benzo(b)thiophene
;
_cell_volume    683.043
_exptl_crystal_density_diffrn 1.31
_diffrn_ambient_temperature ?
_diffrn_special_details
;
The study was carried out at room temperature,in the range 283-303K

;
_symmetry_cell_setting orthorhombic
_symmetry_space_group_name_H-M 'P n a 21'
_symmetry_Int_Tables_number 33
_cell_length_a 7.82(1)
_cell_length_b 5.87(1)
_cell_length_c 14.88(1)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 4
#END
2楼2011-11-16 09:26:46
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