Crystallography Open Database

Information card for entry 4330681

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Structure parameters

Formula	C30 H17 As F28 O2
Calculated formula	C30 H17 As F28 O2
SMILES	c12ccccc1C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)O[As]12(c2ccccc2C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)O1)C(C)(C)C
Title of publication	Synthesis and Characterization of Antiapicophilic Arsoranes and Related Compounds
Authors of publication	Xin-Dong Jiang; Shiro Matsukawa; Satoshi Kojima; Yohsuke Yamamoto
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	10996 - 11006
a	10.54 ± 0.0001 Å
b	12.104 ± 0.0002 Å
c	16.173 ± 0.0003 Å
α	81.835 ± 0.001°
β	72.973 ± 0.001°
γ	66.741 ± 0.001°
Cell volume	1811.7 ± 0.05 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0483
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.1174
Weighted residual factors for all reflections included in the refinement	0.1378
Goodness-of-fit parameter for all reflections included in the refinement	1.164
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
201982 (current)	2017-10-13	cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	4330681.cif
179409	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/06.	4330681.cif
80136	2013-04-06	cif/ Adding structures of 4330681 via cif-deposit CGI script.	4330681.cif