Crystallography Open Database

Information card for entry 7703405

Preview

Coordinates	7703405.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H47 P S3 Si3 Sn
Calculated formula	C33 H47 P S3 Si3 Sn
Title of publication	Homoleptic trimethylsilylchalcogenolato zincates [Zn(ESiMe<sub>3</sub>)<sub>3</sub>]<sup>-</sup> and stannanides [Sn(ESiMe<sub>3</sub>)<sub>3</sub>]<sup>-</sup> (E = S, Se): precursors in solution-based low-temperature binary metal chalcogenide and Cu<sub>2</sub>ZnSnS<sub>4</sub> (CZTS) synthesis.
Authors of publication	Guschlbauer, Jannick; Vollgraff, Tobias; Sundermeyer, Jörg
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	8
Pages of publication	2517 - 2526
a	12.1418 ± 0.0007 Å
b	16.0663 ± 0.0009 Å
c	22.2417 ± 0.0013 Å
α	110.185 ± 0.002°
β	99.2 ± 0.002°
γ	94.62 ± 0.002°
Cell volume	3976.6 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0386
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.0637
Weighted residual factors for all reflections included in the refinement	0.0669
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
248926 (current)	2020-03-05	cif/ Updating files of 7703404, 7703405, 7703406 Original log message: Adding full bibliography for 7703404--7703406.cif.	7703405.cif
247401	2020-01-31	cif/ Adding structures of 7703404, 7703405, 7703406 via cif-deposit CGI script.	7703405.cif