Crystallography Open Database

Information card for entry 4328843

Preview

Coordinates	4328843.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H52 N4 Zr
Calculated formula	C39 H52 N4 Zr
Title of publication	From a Cycloheptatrienylzirconium Allyl Complex to a Cycloheptatrienylzirconium Imidazolin-2-iminato "Pogo Stick" Complex with Imido-Type Reactivity
Authors of publication	Andreas Glöckner; Thomas Bannenberg; Constantin G. Daniliuc; Peter G. Jones; Matthias Tamm
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	4368 - 4378
a	10.419 ± 0.0002 Å
b	20.2799 ± 0.0002 Å
c	17.5953 ± 0.0002 Å
α	90°
β	99.343 ± 0.008°
γ	90°
Cell volume	3668.5 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0292
Residual factor for significantly intense reflections	0.0272
Weighted residual factors for significantly intense reflections	0.0733
Weighted residual factors for all reflections included in the refinement	0.0744
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4328843.html