Crystallography Open Database

Information card for entry 4336674

Preview

Coordinates	4336674.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H24 Cl4 Fe N2 Sn
Calculated formula	C18 H24 Cl4 Fe N2 Sn
SMILES	CC1(C)CC(C)=[N]([NH+]=C(C)[c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[cH]3[cH]2[cH]7[cH]8[cH]93)[Sn]1(Cl)(Cl)(Cl)Cl
Title of publication	Directed Formation of a Ferrocenyl-Decorated Organotin Sulfide Complex and Its Controlled Degradation
Authors of publication	Zhiliang You; Stefanie Dehnen
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	12332 - 12334
a	25.781 ± 0.005 Å
b	10.253 ± 0.002 Å
c	8.2286 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	2175.1 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0575
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.0934
Weighted residual factors for all reflections included in the refinement	0.0959
Goodness-of-fit parameter for all reflections included in the refinement	0.811
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179469 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/66.	4336674.cif
102681	2014-02-21	cif/ Adding structures of 4336674 via cif-deposit CGI script.	4336674.cif