Crystallography Open Database

Information card for entry 4331852

Preview

Coordinates	4331852.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H76 Hf O8
Calculated formula	C44.5 Hf O8
Title of publication	Chemistry of 2,2,6,6,-Tetramethyl-3,5-heptanedione (Hthd) Modification of Zirconium and Hafnium Propoxide Precursors
Authors of publication	Spijksma, Gerald I.; Bouwmeester, Henny J. M.; Blank, Dave H. A.; Fischer, Andreas; Henry, Marc; Kessler, Vadim G.
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	13
Pages of publication	4938 - 4950
a	22.545 ± 0.006 Å
b	11.275 ± 0.003 Å
c	19.763 ± 0.005 Å
α	90°
β	106.55 ± 0.007°
γ	90°
Cell volume	4816 ± 2 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.1254
Residual factor for significantly intense reflections	0.0763
Weighted residual factors for significantly intense reflections	0.183
Weighted residual factors for all reflections included in the refinement	0.2037
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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
179421 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/18.	4331852.cif
97940	2014-01-29	cif/ Adding structures of 4331852 via cif-deposit CGI script.	4331852.cif