Crystallography Open Database

Information card for entry 4083244

Preview

Coordinates	4083244.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H32 Br2 Fe Ge
Calculated formula	C25 H32 Br2 Fe Ge
SMILES	[Ge](Br)(Br)([c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Title of publication	1,2-Bis(ferrocenyl)digermene: A d−π Electron System Containing a Ge═Ge Unit
Authors of publication	Sasamori, Takahiro; Miyamoto, Hisashi; Sakai, Heisuke; Furukawa, Yukio; Tokitoh, Norihiro
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	10
Pages of publication	3904
a	10.4736 ± 0.0004 Å
b	11.123 ± 0.0006 Å
c	11.1532 ± 0.0005 Å
α	95.465 ± 0.002°
β	104.884 ± 0.003°
γ	97.034 ± 0.003°
Cell volume	1235.36 ± 0.1 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0303
Residual factor for significantly intense reflections	0.0246
Weighted residual factors for significantly intense reflections	0.0591
Weighted residual factors for all reflections included in the refinement	0.0605
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178721 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/32.	4083244.cif
113673	2014-05-13	cif/ Adding structures of 4083244 via cif-deposit CGI script.	4083244.cif