Crystallography Open Database

Information card for entry 1556435

Preview

Coordinates	1556435.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H18 Cl In N2 S2
Calculated formula	C9 H18 Cl In N2 S2
SMILES	[In]123(Cl)SCC[N]42CCC[N]3(CC4)CCS1
Title of publication	Connecting Main-Group Metals (Al, Ga, In) and Tungsten(0) Carbonyls via the N2S2 Metallo-Ligand Strategy
Authors of publication	Yang, X.; Lunsford, A.; Darensbourg, M.Y.
Journal of publication	Inorganics
Year of publication	2019
Journal volume	7
Pages of publication	115
a	12.7424 ± 0.0006 Å
b	7.3373 ± 0.0003 Å
c	15.3561 ± 0.0007 Å
α	90°
β	114.107 ± 0.001°
γ	90°
Cell volume	1310.5 ± 0.1 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143.19 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	0.0277
Residual factor for significantly intense reflections	0.0275
Weighted residual factors for significantly intense reflections	0.0716
Weighted residual factors for all reflections included in the refinement	0.072
Goodness-of-fit parameter for all reflections included in the refinement	1.198
Diffraction radiation probe	x-ray
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
276143 (current)	2022-06-22	cif/1 Fixing Z values and formulae	1556435.cif
244932	2019-12-06	cif/ Adding structures of 1556435 via cif-deposit CGI script.	1556435.cif