Crystallography Open Database

Information card for entry 4519114

4519113 << 4519114 >> 4519115

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Coordinates	4519114.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H42 Mn N2 O2 S4
Calculated formula	C20 H42 Mn N2 O2 S4
Title of publication	Structural Investigations of α-MnS Nanocrystals and Thin Films Synthesized from Manganese(II) Xanthates by Hot Injection, Solvent-Less Thermolysis, and Doctor Blade Routes.
Authors of publication	Alanazi, Abdulaziz M.; McNaughter, Paul D.; Alam, Firoz; Vitorica-Yrezabal, Inigo J; Whitehead, George F. S.; Tuna, Floriana; O'Brien, Paul; Collison, David; Lewis, David J.
Journal of publication	ACS omega
Year of publication	2021
Journal volume	6
Journal issue	42
Pages of publication	27716 - 27725
a	15.6601 ± 0.0003 Å
b	8.15454 ± 0.00013 Å
c	23.5223 ± 0.0005 Å
α	90°
β	108.507 ± 0.002°
γ	90°
Cell volume	2848.48 ± 0.1 Å³
Cell temperature	240 ± 0.1 K
Ambient diffraction temperature	240 ± 0.1 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0709
Residual factor for significantly intense reflections	0.0679
Weighted residual factors for significantly intense reflections	0.1796
Weighted residual factors for all reflections included in the refinement	0.1825
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
270254 (current)	2021-11-03	cif/ Adding structures of 4519114 via cif-deposit CGI script.	4519114.cif