Crystallography Open Database

Information card for entry 4112566

Preview

Coordinates	4112566.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H41 F3 N2 O3 S Zr
Calculated formula	C24 H41 F3 N2 O3 S Zr
Title of publication	Nucleophilic Character of a Charge Neutral, High Oxidation State d0 Zirconium Trimethylenemethane Complex
Authors of publication	Denis A. Kissounko; Lawrence R. Sita
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	5946 - 5947
a	19.3351 ± 0.0008 Å
b	18.448 ± 0.0008 Å
c	16.6791 ± 0.0007 Å
α	90°
β	112.772 ± 0.001°
γ	90°
Cell volume	5485.6 ± 0.4 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163 ± 2 K
Number of distinct elements	7
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	0.0758
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0813
Weighted residual factors for all reflections included in the refinement	0.0966
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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/4112566.html