Crystallography Open Database

Information card for entry 4519115

4519114 << 4519115 >> 4519116

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Coordinates	4519115.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H34 Mn N2 O2 S4
Calculated formula	C16 H34 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	12.5433 ± 0.0003 Å
b	21.2751 ± 0.0005 Å
c	9.3308 ± 0.0002 Å
α	90°
β	102.885 ± 0.002°
γ	90°
Cell volume	2427.32 ± 0.1 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.048
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0947
Weighted residual factors for all reflections included in the refinement	0.1006
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
270255 (current)	2021-11-03	cif/ Adding structures of 4519115 via cif-deposit CGI script.	4519115.cif