Crystallography Open Database

Information card for entry 1512971

Preview

Coordinates	1512971.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H40 Hf N4 O2
Calculated formula	C28 H40 Hf N4 O2
SMILES	[Hf]12(OC(=CC(=[N]1c1ccc(cc1)C)C)C)(OC(=CC(=[N]2c1ccc(cc1)C)C)C)(N(C)C)N(C)C
Title of publication	Synthesis of hafnium(IV) beta-ketoiminates as potential precursors for the MOCVD of HfO2
Authors of publication	Diego Gonzalez-Flores; Siddappa A. Patil; Phillip A. Medina; Seth Dever; Chananate Uthaisar; Leslie W. Pineda; Mavis L. Montero; Joseph W. Ziller; Bradley D. Fahlman
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	396
Pages of publication	60 - 65
a	18.1654 ± 0.0007 Å
b	9.0233 ± 0.0003 Å
c	17.0661 ± 0.0006 Å
α	90°
β	97.7347 ± 0.0004°
γ	90°
Cell volume	2771.89 ± 0.17 Å³
Cell temperature	88 ± 2 K
Ambient diffraction temperature	88 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0147
Residual factor for significantly intense reflections	0.0134
Weighted residual factors for significantly intense reflections	0.0334
Weighted residual factors for all reflections included in the refinement	0.0339
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512971.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512971.cif
91303	2013-12-11	cif/ Adding structures of 1512971 via cif-deposit CGI script.	1512971.cif