Crystallography Open Database

Information card for entry 7231711

Preview

Coordinates	7231711.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H68 N11 Ni7 O51 P W9
Calculated formula	C18 H31 N11 Ni7 O45 P 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	13.407 ± 0.005 Å
b	14.365 ± 0.005 Å
c	35.826 ± 0.013 Å
α	90°
β	90°
γ	90°
Cell volume	6900 ± 4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
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	0.0592
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.0923
Weighted residual factors for all reflections included in the refinement	0.0989
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
229028 (current)	2019-11-17	cif/ Updating files of 7231711, 7231712, 7231713 Original log message: Adding full bibliography for 7231711--7231713.cif.	7231711.cif
211696	2018-10-30	cif/ Adding structures of 7231711, 7231712, 7231713 via cif-deposit CGI script.	7231711.cif