Crystallography Open Database

Information card for entry 1568460

Preview

Coordinates	1568460.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H90 Cl2 Ni5 S10
Calculated formula	C81 H90 Cl2 Ni5 S10
Title of publication	Improved activity for the oxygen evolution reaction using a tiara-like thiolate-protected nickel nanocluster.
Authors of publication	Funaki, Sota; Kawawaki, Tokuhisa; Okada, Tomoshige; Takemae, Kana; Hossain, Sakiat; Niihori, Yoshiki; Naito, Takumi; Takagi, Makito; Shimazaki, Tomomi; Kikkawa, Soichi; Yamazoe, Seiji; Tachikawa, Masanori; Negishi, Yuichi
Journal of publication	Nanoscale
Year of publication	2023
Journal volume	15
Journal issue	11
Pages of publication	5201 - 5208
a	16.3158 ± 0.0003 Å
b	17.0494 ± 0.0003 Å
c	17.7725 ± 0.0004 Å
α	61.57 ± 0.001°
β	70.355 ± 0.001°
γ	68.327 ± 0.001°
Cell volume	3961.72 ± 0.14 Å³
Cell temperature	100.15 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.037
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0726
Weighted residual factors for all reflections included in the refinement	0.0756
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
282342 (current)	2023-04-04	cif/ Updating files of 1568460 Original log message: Adding full bibliography for 1568460.cif.	1568460.cif
281012	2023-02-20	cif/ Adding structures of 1568460 via cif-deposit CGI script.	1568460.cif