24小时热门版块排行榜

返回列表

598315543

铁虫 (小有名气)

应助: 0 (幼儿园)
金币: 119
帖子: 51
在线: 20.3小时
虫号: 1756089
注册: 2012-04-14
专业: 胶体与界面化学

[求助] 对苯二甲酸晶胞参数已有1人参与

对苯二甲酸晶胞参数

回复此楼

» 猜你喜欢

» 本主题相关价值贴推荐，对您同样有帮助:

用quantum espresso 软件来计算染料分子吸附在cluster 表面后的光谱性能已经有11人回复

1楼 2013-12-31 14:23:39

已阅回复此楼关注TA 给TA发消息送TA红花 TA的回帖

xhtangxh

木虫 (著名写手)

有木有虫

CMEI: 6
应助: 773 (博后)
金币: 17832.4
红花: 107
帖子: 2676
在线: 599.3小时
虫号: 428580
注册: 2007-08-04
专业: 催化化学

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与，应助指数 +1
598315543: 金币+20, ★★★★★最佳答案 2014-01-09 21:26:40

Card Information
Names: Terephthalic acid
Formula: C8 H6 O4
PDF Number: 31-1916
Quality: star
Subfiles: organic CP  EDU FOR

Cell and Symmetry Information
System: triclinic Space Group: P-1    (no. 2)
a: 6.433 b: 7.393 c: 3.739
a: 99.37 b: 91.51 g: 83.23

Density (Dm): 1.510 Density (Dx): 1.583 Z: 1

Instrument Information
Radiation: CuKa1 Wavelength: 1.5405
Instrument(d): Guinier Cut Off: 50.0
Instrument(I): densitometer I type: unknown

Comments and Additional Information
General: Space group from Bailey, Brown,  Acta Crystallogr., 22 387 (1967) C.P. Chemical.  Dissolution in diluted NaOH, followed by precipitation with HCl gives the same form.
Pattern: To replace 00-022-1941.
General:    Merck Index , 9th Ed., 8882.

Literature References
General: Technisch Physische Dienst, Delft, TheNetherlands. ICDD Grant-in-Aid          (1968)

Peak Data

PeakList
   h    k    l    d    I
   0    1    0 7.2500    2
   1    0    0 6.3900    2
   1    1    0 5.0900    100
   0    0    1 3.6900    2
   0    2    0 3.6200    2
   0 -1    1 3.5300    75
   2    0    0 3.1900    100
   1 -1    1 3.0100    6
   2 -1    0 2.8070    6
-1    1    1 2.7390    6
-1 -2    1 2.6780    6
   2    2    0 2.5470    6
-2 -1    1 2.4440    4
   0    2    1 2.3990    2
   1    3    0 2.3520    2
   1    2    1 2.3000    2
   2 -2    0 2.2700    10
-1    2    1 2.1930    8
-2    1    1 2.1760    2
-1 -3    1 2.1420    2
   3    0    0 2.1290    2
   3    1    0 2.1100    2
   2 -2    1 2.0200    2
   3 -1    0 1.9820    2
-2 -3    1 1.9040    2
-3 -1    1 1.8750    2
   1    3    1 1.8520    2
   0    4    0 1.8110    2
   1    4    0 1.7980    2
-1    3    1 1.7680    6
-1 -2    2 1.7270    2
   2 -3    1 1.7210    2
   1 -4    0 1.6910    2
-1    1    2 1.6540    2
-2 -1    2 1.6340    2
   3 -2    1 1.6270    2
   2    0    2 1.5920    4
-1 -3    2 1.5780    2
   0    2    2 1.5460    2
   1    4    1 1.5220    2

赞一下