Crystallography Open Database

Information card for entry 1568325

Preview

Coordinates	1568325.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H44 B40 Cu4 S4
Calculated formula	C8 H44 B40 Cu4 S4
Title of publication	Carborane-thiol protected copper nanoclusters: stimuli-responsive materials with tunable phosphorescence.
Authors of publication	Jana, Arijit; Jash, Madhuri; Dar, Wakeel Ahmed; Roy, Jayoti; Chakraborty, Papri; Paramasivam, Ganesan; Lebedkin, Sergei; Kirakci, Kaplan; Manna, Sujan; Antharjanam, Sudhadevi; Machacek, Jan; Kucerakova, Monika; Ghosh, Sundargopal; Lang, Kamil; Kappes, Manfred M.; Base, Tomas; Pradeep, Thalappil
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	6
Pages of publication	1613 - 1626
a	11.4344 ± 0.0006 Å
b	11.4344 ± 0.0006 Å
c	29.4398 ± 0.0016 Å
α	90°
β	90°
γ	120°
Cell volume	3333.4 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	152
Hermann-Mauguin space group symbol	P 31 2 1
Hall space group symbol	P 31 2"
Residual factor for all reflections	0.057
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for significantly intense reflections	0.1266
Weighted residual factors for all reflections included in the refinement	0.1305
Goodness-of-fit parameter for all reflections included in the refinement	1.121
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
281373 (current)	2023-03-04	cif/ Updating files of 1568324, 1568325, 1568326, 1568327 Original log message: Adding full bibliography for 1568324--1568327.cif.	1568325.cif
280542	2023-01-24	cif/ Adding structures of 1568324, 1568325, 1568326, 1568327 via cif-deposit CGI script.	1568325.cif