Crystallography Open Database

Information card for entry 7112528

Preview

Coordinates	7112528.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H9 N O6 P2
Calculated formula	C2 H9 N O6 P2
Title of publication	(AEDPH3)·(BtaH): a novel supramolecular plaster with formaldehyde adsorption and formaldehyde/ultraviolet ray-induced luminescence switching performance.
Authors of publication	Chen, Shuo-ping; Hu, Le; Zhang, Yu-qin; Deng, Pu; Li, Cong; Chen, Xi; Yuan, Liang-jie
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2012
Journal volume	48
Journal issue	4
Pages of publication	552 - 554
a	5.578 ± 0.0004 Å
b	5.9177 ± 0.0004 Å
c	11.3992 ± 0.0012 Å
α	82.368 ± 0.002°
β	82.198 ± 0.002°
γ	78.166 ± 0.008°
Cell volume	362.72 ± 0.05 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.0334
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.087
Weighted residual factors for all reflections included in the refinement	0.0878
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
180239 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/25.	7112528.cif
110802	2014-04-20	cif/ Adding structures of 7112528, 7112529, 7112530 via cif-deposit CGI script.	7112528.cif