Crystallography Open Database

Information card for entry 7717180

Preview

Coordinates	7717180.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H16 N2 S
Calculated formula	C15 H16 N2 S
Title of publication	A chemically-induced, room temperature, single source precursor to CuS (covellite) nanomaterials: Synthesis and reactivity of [Cu(S2CNHBz)]n
Authors of publication	Huang, Siqiao; Xu, Xiang; Sarker, Jagodish C.; Pugh, David; Hogarth, Graeme
Journal of publication	Dalton Transactions
Year of publication	2024
a	10.8357 ± 0.001 Å
b	9.3683 ± 0.0007 Å
c	26.594 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2699.6 ± 0.4 Å³
Cell temperature	295.6 ± 0.9 K
Ambient diffraction temperature	295.6 ± 0.9 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0713
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.1211
Weighted residual factors for all reflections included in the refinement	0.13
Goodness-of-fit parameter for all reflections included in the refinement	1.115
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

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7717180.html