Crystallography Open Database

Information card for entry 1568326

Preview

Coordinates	1568326.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H41 B40 Cu4 I3 S4
Calculated formula	C8 H41 B40 Cu4 I3 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	12.716 ± 0.003 Å
b	12.716 ± 0.003 Å
c	39.812 ± 0.008 Å
α	90 ± 0.03°
β	90 ± 0.03°
γ	90 ± 0.03°
Cell volume	6437 ± 3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.1123
Residual factor for significantly intense reflections	0.1061
Weighted residual factors for significantly intense reflections	0.2772
Weighted residual factors for all reflections included in the refinement	0.2841
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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.	1568326.cif
280542	2023-01-24	cif/ Adding structures of 1568324, 1568325, 1568326, 1568327 via cif-deposit CGI script.	1568326.cif