Crystallography Open Database

Information card for entry 7051863

Preview

Coordinates	7051863.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H118 Hf In2 O
Calculated formula	C86 H118 Hf In2 O
Title of publication	Organometallic compounds containing new Hf‒Ga and Hf‒In bonds: Cp2Hf(ER)2 (Cp = C5H5; E = Ga, In; R = ‒C6H3-2,6-(2,4,6-i-Pr3C6H2)2)
Authors of publication	Quillian, Brandon; Wang, Yuzhong; Wei, Pingrong; Robinson, Gregory H.
Journal of publication	New Journal of Chemistry
Year of publication	2008
Journal volume	32
Journal issue	5
Pages of publication	774
a	15.748 ± 0.004 Å
b	17.855 ± 0.005 Å
c	29.708 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	8353 ± 4 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1882
Residual factor for significantly intense reflections	0.0653
Weighted residual factors for significantly intense reflections	0.1452
Weighted residual factors for all reflections included in the refinement	0.208
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
180072 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/18.	7051863.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7051863.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7051863.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7051863.cif