Crystallography Open Database

Information card for entry 7245572

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Coordinates	7245572.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H24 Cl In N2 S2
Calculated formula	C10 H24 Cl In N2 S2
SMILES	[In]12(SC[C@@H]([N]1(C)C)C)(Cl)SC[C@@H]([N]2(C)C)C.[In]12(SC[C@H]([N]1(C)C)C)(Cl)SC[C@H]([N]2(C)C)C
Title of publication	Synthesis of photoresponsive and photoemissive ultrathin 2D nanosheets of In2S3 achieved through a new single source molecular precursor
Authors of publication	Karmakar, Gourab; Tyagi, Adish; Shah, Alpa Y.; Kumbhare, Liladhar B.; Wadawale, A. P.; Kedarnath, G.; Singh, Vishal
Journal of publication	RSC Advances
Year of publication	2022
Journal volume	12
Journal issue	42
Pages of publication	27292 - 27299
a	10.6094 ± 0.0006 Å
b	12.8828 ± 0.0007 Å
c	11.8236 ± 0.0006 Å
α	90°
β	98.915 ± 0.004°
γ	90°
Cell volume	1596.51 ± 0.15 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0724
Residual factor for significantly intense reflections	0.0594
Weighted residual factors for significantly intense reflections	0.152
Weighted residual factors for all reflections included in the refinement	0.1603
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
278234 (current)	2022-09-28	cif/ Adding structures of 7245572 via cif-deposit CGI script.	7245572.cif