Crystallography Open Database

Information card for entry 7111672

Preview

Coordinates	7111672.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H44 Fe4 O8 Sn
Calculated formula	C48 H44 Fe4 O8 Sn
SMILES	[c]12([cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]1[cH]6[cH]7[cH]82)C(=O)OC)[Sn]([c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]1[cH]6[cH]7[cH]82)C(=O)OC)([c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]1[cH]6[cH]7[cH]82)C(=O)OC)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]1[cH]6[cH]7[cH]82)C(=O)OC
Title of publication	Formation and mixed-valent behaviour of a substituted tetraferrocenylstannane
Authors of publication	Siebler, Daniel; Förster, Christoph; Gasi, Teuta; Heinze, Katja
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	25
Pages of publication	4490 - 4492
a	19.8605 ± 0.0004 Å
b	19.8605 ± 0.0004 Å
c	10.4054 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	4104.3 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0275
Residual factor for significantly intense reflections	0.0213
Weighted residual factors for significantly intense reflections	0.053
Weighted residual factors for all reflections included in the refinement	0.0549
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
180230 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/16.	7111672.cif
96726	2014-01-29	cif/ Adding structures of 7111672 via cif-deposit CGI script.	7111672.cif