Crystallography Open Database

Information card for entry 4074787

Preview

Coordinates	4074787.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H42 N2 Zr
Calculated formula	C26 H42 N2 Zr
Title of publication	Synthesis and Formal Ring-Opening Reactions of (η5-C5Me5)Zr[η2-CH2CH(C6H5)][N(iPr)C(Me)N(iPr)], a Base-Free η2-Styrene Complex of Zirconium
Authors of publication	Kissounko, Denis; Epshteyn, Albert; Fettinger, James C.; Sita, Lawrence R.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	2
Pages of publication	531
a	8.7602 ± 0.0003 Å
b	9.7735 ± 0.0004 Å
c	15.5841 ± 0.0006 Å
α	79.224 ± 0.001°
β	82.016 ± 0.001°
γ	69.527 ± 0.001°
Cell volume	1224.03 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0404
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.0772
Weighted residual factors for all reflections included in the refinement	0.0816
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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/4074787.html