Crystallography Open Database

Information card for entry 7247667

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Coordinates	7247667.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Tin(IV) hexadecanethiolate
Formula	C64 H132 S4 Sn
Calculated formula	C64 H132 S4 Sn
Title of publication	Long-chain tin(iv) alkanethiolates (Sn(SCnH2n+1)4, n ≥ 12) with the coexistence of trans and gauche S–C bonds: a class of lamellar van der Waals molecular crystals
Authors of publication	Wang, Tingting; Wan, Yixin; Yu, Nan; Gu, Kewei; Lu, Zhiwei; Wang, Junli
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	41
Pages of publication	5782 - 5786
a	45.6447 ± 0.0014 Å
b	8.1335 ± 0.0003 Å
c	9.3171 ± 0.0003 Å
α	90°
β	92.133 ± 0.003°
γ	90°
Cell volume	3456.6 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	298 K
Number of distinct elements	4
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0846
Residual factor for significantly intense reflections	0.0809
Weighted residual factors for significantly intense reflections	0.2176
Weighted residual factors for all reflections included in the refinement	0.2241
Goodness-of-fit parameter for all reflections included in the refinement	1.112
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
287254 (current)	2023-11-04	cif/ Adding structures of 7247665, 7247666, 7247667 via cif-deposit CGI script.	7247667.cif