Crystallography Open Database

Information card for entry 7227014

Preview

Coordinates	7227014.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H58 N8 Ni2 O13
Calculated formula	C56 H58 N8 Ni2 O13
Title of publication	A series of bis(pyridyl)-bis(amide)-modulated metal-1,2-phenylenediacetate coordination polymers: construction and selective dye adsorption
Authors of publication	Wang, Xiuli; Zhao, Jing; Le, Mao; Lin, Hongyan; Liu, Guocheng; Wang, Xiang
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	48
Pages of publication	9316
a	18.447 ± 0.0002 Å
b	21.014 ± 0.0003 Å
c	28.775 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	11154.5 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1024
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.1084
Weighted residual factors for all reflections included in the refinement	0.124
Goodness-of-fit parameter for all reflections included in the refinement	1
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
190079 (current)	2017-01-09	cif/ Updating files of 7227012, 7227013, 7227014, 7227015, 7227016 Original log message: Adding full bibliography for 7227012--7227016.cif.	7227014.cif
188024	2016-11-08	cif/ Adding structures of 7227012, 7227013, 7227014, 7227015, 7227016 via cif-deposit CGI script.	7227014.cif