Crystallography Open Database

Information card for entry 4075823

Preview

Coordinates	4075823.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H16 B8 Fe
Calculated formula	C8 H16 B8 Fe
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	6.4722 ± 0.0015 Å
b	10.3 ± 0.002 Å
c	17.749 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1183.2 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0482
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.0895
Weighted residual factors for all reflections included in the refinement	0.0922
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
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.	4075823.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075823.cif
50686	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4075823 via cif-deposit CGI script.	4075823.cif