Crystallography Open Database

Information card for entry 4121690

Preview

Coordinates	4121690.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H56 N4 P4
Calculated formula	C24 H56 N4 P4
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	34.601 ± 0.006 Å
b	24.181 ± 0.004 Å
c	7.6392 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	6391.6 ± 1.9 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
Space group number	67
Hermann-Mauguin space group symbol	C m m a
Hall space group symbol	-C 2a 2
Residual factor for all reflections	0.1898
Residual factor for significantly intense reflections	0.1794
Weighted residual factors for significantly intense reflections	0.4648
Weighted residual factors for all reflections included in the refinement	0.4846
Goodness-of-fit parameter for all reflections included in the refinement	1.535
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4121690.cif
112745	2014-05-04	cif/ Updating files of 4121688, 4121689, 4121690, 4121691 Original log message: Adding full bibliography for 4121688--4121691.cif.	4121690.cif
109596	2014-04-17	cif/ Adding structures of 4121690 via cif-deposit CGI script.	4121690.cif