Crystallography Open Database

Information card for entry 1556899

Preview

Coordinates	1556899.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C144 H300 Ni6 S12
Calculated formula	C144 H300 Ni6 S12
SMILES	C(CCCCCCCCCCC)[S]1[Ni]23[S](CCCCCCCCCCCC)[Ni]4([S](CCCCCCCCCCCC)[Ni]5([S]4CCCCCCCCCCCC)[S](CCCCCCCCCCCC)[Ni]4([S](CCCCCCCCCCCC)[Ni]6([S](CCCCCCCCCCCC)[Ni]1([S]2CCCCCCCCCCCC)[S]6CCCCCCCCCCCC)[S]4CCCCCCCCCCCC)[S]5CCCCCCCCCCCC)[S]3CCCCCCCCCCCC
Title of publication	One-step rapid synthesis of Ni<sub>6</sub>(C<sub>12</sub>H<sub>25</sub>S)<sub>12</sub> nanoclusters for electrochemical sensing of ascorbic acid.
Authors of publication	Zhuang, Zhihua; Chen, Wei
Journal of publication	The Analyst
Year of publication	2020
Journal volume	145
Journal issue	7
Pages of publication	2621 - 2630
a	13.0353 ± 0.0006 Å
b	18.6391 ± 0.0009 Å
c	19.8731 ± 0.001 Å
α	108.331 ± 0.003°
β	108.152 ± 0.003°
γ	101.306 ± 0.003°
Cell volume	4117.5 ± 0.4 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 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	0.1673
Residual factor for significantly intense reflections	0.0723
Weighted residual factors for significantly intense reflections	0.1848
Weighted residual factors for all reflections included in the refinement	0.2606
Goodness-of-fit parameter for all reflections included in the refinement	0.832
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
250145 (current)	2020-04-05	cif/ Updating files of 1556899 Original log message: Adding full bibliography for 1556899.cif.	1556899.cif
246443	2020-01-03	cif/ Adding structures of 1556899 via cif-deposit CGI script.	1556899.cif