Crystallography Open Database

Information card for entry 4519117

4519116 << 4519117 >> 4519118

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Coordinates	4519117.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H38 Mn N2 O2 S4
Calculated formula	C18 H38 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	7.5898 ± 0.0004 Å
b	11.8599 ± 0.0005 Å
c	16.0804 ± 0.0007 Å
α	70.704 ± 0.004°
β	78.932 ± 0.004°
γ	72.591 ± 0.004°
Cell volume	1296.59 ± 0.11 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0333
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0778
Weighted residual factors for all reflections included in the refinement	0.079
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
270257 (current)	2021-11-03	cif/ Adding structures of 4519117 via cif-deposit CGI script.	4519117.cif