Crystallography Open Database

Information card for entry 7100420

Preview

Coordinates	7100420.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H27 B F15 N5 Zr
Calculated formula	C26 H27 B F15 N5 Zr
SMILES	[Zr]([NH2][B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(N(C)C)(N(C)C)(N(C)C)[NH](C)C
Title of publication	New Titanium and Zirconium Complexes with M-NH2 bonds formed by Facile Deprotonation of H3N*B(C6F5)3
Authors of publication	Simon J. Lancaster; William Clegg; Ross W. Harrington; Simon Humphrey; Andrew J. Mountford
Journal of publication	Chemical Communications
Year of publication	2005
a	10.7826 ± 0.0018 Å
b	16.14 ± 0.003 Å
c	17.502 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3045.9 ± 0.9 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7100420.html