Crystallography Open Database

Information card for entry 1568324

Preview

Coordinates	1568324.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H22 B20 I2 S2
Calculated formula	C4 H22 B20 I2 S2
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	14.149 ± 0.0006 Å
b	7.7293 ± 0.0003 Å
c	20.6546 ± 0.0009 Å
α	90°
β	91.659 ± 0.004°
γ	90°
Cell volume	2257.88 ± 0.16 Å³
Cell temperature	95 ± 0.1 K
Ambient diffraction temperature	95 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.058
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.0907
Weighted residual factors for all reflections included in the refinement	0.0972
Goodness-of-fit parameter for significantly intense reflections	1.7126
Goodness-of-fit parameter for all reflections included in the refinement	1.5754
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	1568324.cif
280542	2023-01-24	cif/ Adding structures of 1568324, 1568325, 1568326, 1568327 via cif-deposit CGI script.	1568324.cif