Crystallography Open Database

Information card for entry 4341583

Preview

Coordinates	4341583.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C136 H120 Cu6 Fe2 O4 P6 S2.75 Se3.25 Sn2
Calculated formula	C136 H120 Cu6 Fe2 O4 P6 S2.706 Se3.294 Sn2
Title of publication	Ferrocenyl-Functionalized Sn/Se and Sn/Te Complexes: Synthesis, Reactivity, Optical, and Electronic Properties.
Authors of publication	You, Zhiliang; Bergunde, Jakob; Gerke, Birgit; Pöttgen, Rainer; Dehnen, Stefanie
Journal of publication	Inorganic chemistry
Year of publication	2014
Pages of publication	141114120738008
a	42.3467 ± 0.0011 Å
b	14.5072 ± 0.0004 Å
c	42.7189 ± 0.0011 Å
α	90°
β	92.544 ± 0.001°
γ	90°
Cell volume	26217.7 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	9
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.11
Residual factor for significantly intense reflections	0.0624
Weighted residual factors for significantly intense reflections	0.1713
Weighted residual factors for all reflections included in the refinement	0.1878
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
179518 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/15.	4341583.cif
127357	2014-11-16	cif/ Adding structures of 4341583 via cif-deposit CGI script.	4341583.cif