Crystallography Open Database

Information card for entry 4121689

Preview

Coordinates	4121689.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H58 Cl4 F6 N4 P2 Sb Si6
Calculated formula	C20 H58 Cl4 F6 N4 P2 Sb Si6
Title of publication	Two stable phosphorus-containing four-membered ring radical cations with inverse spin density distributions.
Authors of publication	Su, Yuanting; Zheng, Xin; Wang, Xingyong; Zhang, Xuan; Sui, Yunxia; Wang, Xinping
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	17
Pages of publication	6251 - 6254
a	20.399 ± 0.009 Å
b	12.003 ± 0.005 Å
c	20.446 ± 0.009 Å
α	90°
β	117.444 ± 0.007°
γ	90°
Cell volume	4443 ± 3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1447
Residual factor for significantly intense reflections	0.1064
Weighted residual factors for significantly intense reflections	0.2882
Weighted residual factors for all reflections included in the refinement	0.3355
Goodness-of-fit parameter for all reflections included in the refinement	1.131
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4121689.cif
112745	2014-05-04	cif/ Updating files of 4121688, 4121689, 4121690, 4121691 Original log message: Adding full bibliography for 4121688--4121691.cif.	4121689.cif
109595	2014-04-17	cif/ Adding structures of 4121689 via cif-deposit CGI script.	4121689.cif