Crystallography Open Database

Information card for entry 4112253

Preview

Coordinates	4112253.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H56 N3 P2 Re Si2
Calculated formula	C30 H56 N3 P2 Re Si2
Title of publication	Aromatic vs Aliphatic C-H Cleavage of Alkyl-Substituted Pyridines by (PNPiPr)Re Compounds
Authors of publication	Oleg V. Ozerov; Maren Pink; Lori A. Watson; Kenneth G. Caulton
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	2105 - 2113
a	19.3458 ± 0.0008 Å
b	10.7479 ± 0.0004 Å
c	18.3294 ± 0.0007 Å
α	90°
β	113.714 ± 0.001°
γ	90°
Cell volume	3489.4 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.036
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0588
Weighted residual factors for all reflections included in the refinement	0.0622
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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/4112253.html