Crystallography Open Database

Information card for entry 7243616

Preview

Coordinates	7243616.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H6 In N O8 P
Calculated formula	C7 H6 In N O8 P
Title of publication	Isonicotinic acid-templated metal phosphate–oxalates: solvent-free synthesis, luminescence, and proton conduction
Authors of publication	Huang, Lijuan; Xu, Haiping; Zhao, Yan; Huang, Ling; Bi, Jian; Zeng, Hongmei; Zou, Guohong; Gao, Daojiang; Lin, Zhien
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	39
Pages of publication	6855 - 6858
a	6.6218 ± 0.0004 Å
b	9.3168 ± 0.0008 Å
c	9.4721 ± 0.0007 Å
α	114.317 ± 0.007°
β	95.498 ± 0.006°
γ	105.293 ± 0.007°
Cell volume	499.59 ± 0.08 Å³
Cell temperature	290.77 ± 0.11 K
Ambient diffraction temperature	290.77 ± 0.11 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0501
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.126
Weighted residual factors for all reflections included in the refinement	0.1273
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
270432 (current)	2021-11-06	cif/ Updating files of 7243616, 7243617 Original log message: Adding full bibliography for 7243616--7243617.cif.	7243616.cif
269327	2021-09-28	cif/ Adding structures of 7243616, 7243617 via cif-deposit CGI script.	7243616.cif