Crystallography Open Database

Information card for entry 7233613

Preview

Coordinates	7233613.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22 Ni3 O20
Calculated formula	C18 H22 Ni3 O20
Title of publication	Trinuclear Ni(ii) oriented highly dense packing and π-conjugation degree of metal‒organic frameworks for efficient water oxidation
Authors of publication	Zhai, Zhi-Min; Yang, Xiao-Gang; Yang, Zhao-Tong; Lu, Xiao-Min; Ma, Lu-Fang
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	39
Pages of publication	5862
a	10.0281 ± 0.0006 Å
b	10.0845 ± 0.0005 Å
c	13.1425 ± 0.0007 Å
α	75.763 ± 0.005°
β	68.657 ± 0.005°
γ	65.46 ± 0.005°
Cell volume	1119.04 ± 0.12 Å³
Cell temperature	290 K
Ambient diffraction temperature	290 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0568
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for significantly intense reflections	0.1367
Weighted residual factors for all reflections included in the refinement	0.1451
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation probe	x-ray
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
223569 (current)	2019-11-07	cif/ Updating files of 7233613 Original log message: Adding full bibliography for 7233613.cif.	7233613.cif
217930	2019-09-03	cif/ Adding structures of 7233613 via cif-deposit CGI script.	7233613.cif