Crystallography Open Database

Information card for entry 4519118

4519117 << 4519118 >> 4519119

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Coordinates	4519118.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H30 Mn N2 O2 S4
Calculated formula	C14 H30 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	11.8338 ± 0.0005 Å
b	11.9042 ± 0.0004 Å
c	15.5003 ± 0.0006 Å
α	90°
β	106.751 ± 0.002°
γ	90°
Cell volume	2090.9 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0356
Residual factor for significantly intense reflections	0.0282
Weighted residual factors for significantly intense reflections	0.0634
Weighted residual factors for all reflections included in the refinement	0.066
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
270258 (current)	2021-11-03	cif/ Adding structures of 4519118 via cif-deposit CGI script.	4519118.cif