Crystallography Open Database

Information card for entry 4350518

Preview

Structure parameters

Chemical name	bis-(dimethylamido)-bis-(N,N-diisopropyl-2-dimethylamido-guanidinato) hafnium(IV)
Formula	C24 H56.66667 Hf N8
Calculated formula	C24 H56.6667 Hf N8
SMILES	CCCCCC.C(N1C(N(C)C)=[N]([Hf]21(N(C)C)(N(C)C)[N](C(C)C)=C(N(C)C)N2C(C)C)C(C)C)(C)C
Title of publication	Guanidinate-stabilized monomeric hafnium amide complexes as promising precursors for MOCVD of HfO2.
Authors of publication	Milanov, Andrian; Bhakta, Raghunandan; Baunemann, Arne; Becker, Hans-Werner; Thomas, Reji; Ehrhart, Peter; Winter, Manuela; Devi, Anjana
Journal of publication	Inorganic chemistry
Year of publication	2006
Journal volume	45
Journal issue	26
Pages of publication	11008 - 11018
a	19.8714 ± 0.0013 Å
b	29.6787 ± 0.0013 Å
c	17.5709 ± 0.0008 Å
α	90°
β	116.313 ± 0.006°
γ	90°
Cell volume	9288.9 ± 1 Å³
Cell temperature	105 ± 2 K
Ambient diffraction temperature	105 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1006
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.0503
Weighted residual factors for all reflections included in the refinement	0.0618
Goodness-of-fit parameter for all reflections included in the refinement	0.885
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
301841 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/35/ Each referenced PubChem compound corresponds to the full crystal structure.	4350518.cif
268283	2021-08-30	cif/4: Fixing Z values and formulae	4350518.cif
239914	2019-11-25	cif/ Adding structures of 4350516, 4350517, 4350518, 4350519 via cif-deposit CGI script.	4350518.cif