Crystallography Open Database

Information card for entry 4519113

4519112 << 4519113 >> 4519114

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Coordinates	4519113.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H22 Mn N2 O2 S4
Calculated formula	C10 H22 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	15.2336 ± 0.0008 Å
b	16.3399 ± 0.0007 Å
c	13.8528 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	3448.2 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0958
Residual factor for significantly intense reflections	0.0699
Weighted residual factors for significantly intense reflections	0.1928
Weighted residual factors for all reflections included in the refinement	0.2233
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
270253 (current)	2021-11-03	cif/ Adding structures of 4519113 via cif-deposit CGI script.	4519113.cif