Crystallography Open Database

Information card for entry 7227098

Preview

Coordinates	7227098.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	NJU-Bai18
Formula	C17 H11 Cl Co N2 O2
Calculated formula	C17 H11 Cl Co N2 O2
Title of publication	A S4N4-like [Co4(μ-Cl)4] based metal‒organic framework with sum topology and selective CO2 uptake
Authors of publication	Liu, Huiyan; Meng, Fei; Lu, Zhiyong; Bai, Junfeng
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	47
Pages of publication	9003
a	17.5317 ± 0.0012 Å
b	17.5317 ± 0.0012 Å
c	15.757 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	4843.1 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	137
Hermann-Mauguin space group symbol	P 42/n m c :2
Hall space group symbol	-P 4ac 2a
Residual factor for all reflections	0.0526
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.1633
Weighted residual factors for all reflections included in the refinement	0.1679
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
190092 (current)	2017-01-09	cif/ Updating files of 7227098 Original log message: Adding full bibliography for 7227098.cif.	7227098.cif
188439	2016-11-15	cif/ Adding structures of 7227098 via cif-deposit CGI script.	7227098.cif