Crystallography Open Database

Information card for entry 4104095

Preview

Coordinates	4104095.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H32 Hf
Calculated formula	C24 H32 Hf
Title of publication	Combination of Spectroscopic Methods: In Situ NMR and UV/Vis Measurements To Understand the Formation of Group 4 Metallacyclopentanes from the Corresponding Metallacyclopropenes
Authors of publication	Torsten Beweries; Christian Fischer; Stephan Peitz; Vladimir V. Burlakov; Perdita Arndt; Wolfgang Baumann; Anke Spannenberg; Detlef Heller; Uwe Rosenthal
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	4463 - 4469
a	9.7076 ± 0.0004 Å
b	16.4786 ± 0.0007 Å
c	12.0871 ± 0.0006 Å
α	90°
β	101.802 ± 0.004°
γ	90°
Cell volume	1892.67 ± 0.15 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0227
Residual factor for significantly intense reflections	0.017
Weighted residual factors for significantly intense reflections	0.0384
Weighted residual factors for all reflections included in the refinement	0.0393
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
178786 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/40.	4104095.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104095.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104095.cif
28603	2011-10-30	../uploads/cif-deposit/cod/cif Adding structures of 4104095 via cif-deposit CGI script.	4104095.cif