Crystallography Open Database

Information card for entry 1567994

Preview

Coordinates	1567994.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H36 Ni O2 P2 S
Calculated formula	C40 H36 Ni O2 P2 S
Title of publication	Structure and assembly of a hexanuclear AuNi bimetallic nanocluster.
Authors of publication	Tao, Cheng-Bo; Fan, Ji-Qiang; Fei, Wenwen; Zhao, Yan; Li, Man-Bo
Journal of publication	Nanoscale
Year of publication	2022
Journal volume	15
Journal issue	1
Pages of publication	109 - 113
a	39.25 ± 0.005 Å
b	9.8991 ± 0.0014 Å
c	17.585 ± 0.002 Å
α	90°
β	92.559 ± 0.004°
γ	90°
Cell volume	6825.7 ± 1.5 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1212
Residual factor for significantly intense reflections	0.0801
Weighted residual factors for significantly intense reflections	0.1758
Weighted residual factors for all reflections included in the refinement	0.1947
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
281486 (current)	2023-03-04	cif/ Updating files of 1567993, 1567994 Original log message: Adding full bibliography for 1567993--1567994.cif.	1567994.cif
279449	2022-11-22	cif/ Adding structures of 1567993, 1567994 via cif-deposit CGI script.	1567994.cif