Crystallography Open Database

Information card for entry 7247666

Preview

Coordinates	7247666.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Tin(IV) tetradecanethiolate
Formula	C56 H116 S4 Sn
Calculated formula	C56 H116 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	81.184 ± 0.004 Å
b	7.8878 ± 0.0004 Å
c	9.253 ± 0.0005 Å
α	90°
β	91.117 ± 0.001°
γ	90°
Cell volume	5924.2 ± 0.5 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
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	0.0639
Residual factor for significantly intense reflections	0.062
Weighted residual factors for significantly intense reflections	0.1648
Weighted residual factors for all reflections included in the refinement	0.1673
Goodness-of-fit parameter for all reflections included in the refinement	1.186
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
287254 (current)	2023-11-04	cif/ Adding structures of 7247665, 7247666, 7247667 via cif-deposit CGI script.	7247666.cif