Crystallography Open Database

Information card for entry 7231713

Preview

Coordinates	7231713.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H49 N6 Ni6 O50 P S W9
Calculated formula	C12 H20 N6 Ni6 O45 P S W9
Title of publication	Steam-assisted assemblies of {Ni6PW9}-based inorganic‒organic hybrid chains: synthesis, crystal structures and properties
Authors of publication	Yin, Ying-Xue; Chen, Wei-Chao; Yao, Wei; Qin, Chao; Su, Zhong-Min
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	46
Pages of publication	7507
a	13.28 ± 0.004 Å
b	19.351 ± 0.006 Å
c	23.254 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	5976 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	8
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.068
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.1364
Weighted residual factors for all reflections included in the refinement	0.1442
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
229028 (current)	2019-11-17	cif/ Updating files of 7231711, 7231712, 7231713 Original log message: Adding full bibliography for 7231711--7231713.cif.	7231713.cif
211696	2018-10-30	cif/ Adding structures of 7231711, 7231712, 7231713 via cif-deposit CGI script.	7231713.cif