Crystallography Open Database

Information card for entry 1512970

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Structure parameters

Formula	C37 H52 Hf N4 O2
Calculated formula	C37 H52 Hf N4 O2
SMILES	[Hf]12(OC(=CC(=[N]1c1c(cccc1C)C)C)C)(OC(=CC(=[N]2c1c(cccc1C)C)C)C)(N(C)C)N(C)C.c1(ccccc1)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	11.1333 ± 0.0004 Å
b	10.3317 ± 0.0003 Å
c	31.2018 ± 0.001 Å
α	90°
β	98.1855 ± 0.0003°
γ	90°
Cell volume	3552.5 ± 0.2 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0174
Residual factor for significantly intense reflections	0.016
Weighted residual factors for significantly intense reflections	0.0379
Weighted residual factors for all reflections included in the refinement	0.0384
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1512970.cif
176729	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.	1512970.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512970.cif
91302	2013-12-11	cif/ Adding structures of 1512970 via cif-deposit CGI script.	1512970.cif