Crystallography Open Database

Information card for entry 7000239

Preview

Coordinates	7000239.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H112 O20 Zr2
Calculated formula	C60 H112 O20 Zr2
Title of publication	Monomeric malonate precursors for the MOCVD of HfO2 and ZrO2 thin films
Authors of publication	Pothiraja, Ramasamy; Milanov, Andrian; Parala, Harish; Winter, Manuela; Fischer, Roland A.; Devi, Anjana
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	4
Pages of publication	654
a	13.8318 ± 0.0005 Å
b	16.0899 ± 0.0005 Å
c	16.8531 ± 0.0005 Å
α	84.441 ± 0.003°
β	89.034 ± 0.003°
γ	84.501 ± 0.003°
Cell volume	3715.8 ± 0.2 Å³
Cell temperature	105 ± 2 K
Ambient diffraction temperature	105 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0778
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1204
Weighted residual factors for all reflections included in the refinement	0.1368
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
179680 (current)	2016-03-24	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/02.	7000239.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7000239.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7000239.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7000239.cif