Crystallography Open Database

Information card for entry 7211638

Preview

Coordinates	7211638.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H8 N2 O8
Calculated formula	C8 H8 N2 O8
Title of publication	Hydrothermal in situ ligand reaction: copper(II)-mediated stepwise oxidation of 2,3,5- and 2,4,6-trimethylpyridine to pyridinecarboxylates
Authors of publication	Li, Cui-Jin; Lin, Zhuojia; Yun, Lei; Xie, Yu-Ling; Leng, Ji-Dong; Ou, Yong-Cong; Tong, Ming-Liang
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	2
Pages of publication	425
a	4.8656 ± 0.0005 Å
b	9.764 ± 0.0012 Å
c	11.1677 ± 0.0014 Å
α	73.703 ± 0.011°
β	80.971 ± 0.01°
γ	80.399 ± 0.009°
Cell volume	498.69 ± 0.11 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1089
Residual factor for significantly intense reflections	0.088
Weighted residual factors for significantly intense reflections	0.2504
Weighted residual factors for all reflections included in the refinement	0.2658
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180447 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/16.	7211638.cif
92191	2014-01-12	cif/ Adding structures of 7211633, 7211634, 7211635, 7211636, 7211637, 7211638 via cif-deposit CGI script.	7211638.cif