Crystallography Open Database

Information card for entry 7209850

7209849 << 7209850 >> 7209851

Preview

Coordinates	7209850.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H16 Cl Er N2 O14
Calculated formula	C9 H16 Cl Er N2 O14
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	7.1312 ± 0.0012 Å
b	9.5963 ± 0.0016 Å
c	12.431 ± 0.002 Å
α	100.546 ± 0.002°
β	98.09 ± 0.002°
γ	95.025 ± 0.002°
Cell volume	822.4 ± 0.2 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	0.0298
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.0756
Weighted residual factors for all reflections included in the refinement	0.0764
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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.	7209850.cif
86866	2013-07-12	cif/ Adding structures of 7209850, 7209851 via cif-deposit CGI script.	7209850.cif