Crystallography Open Database

Information card for entry 7209851

7209850 << 7209851 >> 7209852

Preview

Coordinates	7209851.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H4 Cl Er N2 O8
Calculated formula	C9 H4 Cl Er N2 O8
Title of publication	Single-crystal to single-crystal transformation from a 1-D chain-like structure to a 2-D coordination polymer on heating
Authors of publication	Hong, Xu-Jia; Wang, Ming-Fang; Jin, Hong-Guang; Zhan, Qing-Guang; Liu, Yi-Ting; Jia, Hong-Yang; Liu, Xiang; Cai, Yue-Peng
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	28
Pages of publication	5606
a	6.8722 ± 0.0009 Å
b	7.8857 ± 0.0011 Å
c	10.9592 ± 0.0015 Å
α	101.529 ± 0.002°
β	106.681 ± 0.002°
γ	95.551 ± 0.002°
Cell volume	549.87 ± 0.13 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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	0.0259
Residual factor for significantly intense reflections	0.0241
Weighted residual factors for significantly intense reflections	0.0584
Weighted residual factors for all reflections included in the refinement	0.0594
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
180429 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/98.	7209851.cif
86866	2013-07-12	cif/ Adding structures of 7209850, 7209851 via cif-deposit CGI script.	7209851.cif