Crystallography Open Database

Information card for entry 7709763

Preview

Coordinates	7709763.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H48 N4 O2 Zr
Calculated formula	C22 H48 N4 O2 Zr
SMILES	[Zr]12(OC3(C[N]1(C)C)CCCCC3)(OC1(C[N]2(C)C)CCCCC1)(N(C)C)N(C)C
Title of publication	Formation of mononuclear N,O-chelate zirconium complexes by direct insertion of epoxide into tetrakis(dimethylamido)zirconium: highly promising approach for developing an ALD precursor of ZrO2 thin films
Authors of publication	Jiang, Jianwei; Choi, Sohee; Oh, Jaehyun; Choi, Jihyun; Sun, Ho-Jung; Yoon, Sungho
Journal of publication	Dalton Transactions
Year of publication	2022
a	15.9734 ± 0.0003 Å
b	9.572 ± 0.00019 Å
c	16.6128 ± 0.0003 Å
α	90°
β	91.5782 ± 0.0016°
γ	90°
Cell volume	2539.09 ± 0.08 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 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	0.0529
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1307
Weighted residual factors for all reflections included in the refinement	0.1322
Goodness-of-fit parameter for all reflections included in the refinement	1.111
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
273748 (current)	2022-03-17	cif/ Adding structures of 7709762, 7709763 via cif-deposit CGI script.	7709763.cif