Crystallography Open Database

Information card for entry 4328475

Preview

Coordinates	4328475.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39.5 H103 Cl9 Mn5.6 N12 Se13 Zn8.4
Calculated formula	C39.5 H102 Cl9 Mn5.6 N12 Se13 Zn8.4
Title of publication	Zinc Chalcogenolate Complexes as Precursors to ZnE and Mn/ZnE (E = S, Se) Clusters
Authors of publication	Chhatra B. Khadka; Andreas Eichhöfer; Florian Weigend; John F. Corrigan
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	2747 - 2756
a	25.525 ± 0.0003 Å
b	25.525 ± 0.0003 Å
c	27.9532 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	15772.3 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	152
Hermann-Mauguin space group symbol	P 31 2 1
Hall space group symbol	P 31 2"
Residual factor for all reflections	0.1254
Residual factor for significantly intense reflections	0.0625
Weighted residual factors for significantly intense reflections	0.1553
Weighted residual factors for all reflections included in the refinement	0.1864
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4328475.cif
77453	2013-03-28	cif/ Adding structures of 4328475 via cif-deposit CGI script.	4328475.cif