Crystallography Open Database

Information card for entry 4075824

Preview

Coordinates	4075824.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H16 B8 Fe
Calculated formula	C8 H16 B8 Fe
SMILES	[Fe]12345678([CH]9%10%11[CH]%12%131[BH]1%142[CH]2%153[BH]349[BH]49%15[BH]%15%142[BH]2%131[BH]1%10%12[BH]%1134[BH]9%1521)[cH]1[cH]8[cH]7[cH]6[cH]51
Title of publication	Ferra- and Ruthenatricarbollides CpFeC3B8H11and Cp*RuC3B8H11
Authors of publication	Perekalin, Dmitry S.; Holub, Josef; Golovanov, Denis G.; Lyssenko, Konstantin A.; Petrovskii, Pavel V.; Štíbr, Bohumil; Kudinov, Alexander R.
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	18
Pages of publication	4387
a	6.7971 ± 0.0012 Å
b	9.9299 ± 0.0018 Å
c	17.569 ± 0.003 Å
α	90°
β	91.42 ± 0.004°
γ	90°
Cell volume	1185.4 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0723
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.075
Weighted residual factors for all reflections included in the refinement	0.0813
Goodness-of-fit parameter for all reflections included in the refinement	0.935
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
178647 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/58.	4075824.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075824.cif
50687	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4075824 via cif-deposit CGI script.	4075824.cif