Crystallography Open Database

Information card for entry 1566990

Preview

Coordinates	1566990.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Zinc Bis(N,N'-Dimethyl-4-penten-2-amine)
Formula	C14 H26 N4 Zn
Calculated formula	C14 H26 N4 Zn
SMILES	C1(=CC(C)=[N](C)[Zn]2(N1C)[N](=C(C=C(C)N2C)C)C)C
Title of publication	Chemical Control of Spin-Lattice Relaxation to Create a Room Temperature Molecular Qubit
Authors of publication	Amdur, Moses J.; Mullin, Kathleen; Waters, Michael; Puggioni, Danilo; Wojnar, Michael; Gu, Mingqiang; Sun, Lei; Oyala, Paul; Rondinelli, James; Freedman, Danna
Journal of publication	Chemical Science
Year of publication	2022
a	12.064 ± 0.0004 Å
b	11.9661 ± 0.0005 Å
c	10.878 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1570.34 ± 0.09 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0447
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.0687
Weighted residual factors for all reflections included in the refinement	0.0757
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation probe	x-ray
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
275491 (current)	2022-05-18	cif/ Adding structures of 1566989, 1566990, 1566991, 1566992 via cif-deposit CGI script.	1566990.cif