Crystallography Open Database

Information card for entry 4108484

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Coordinates	4108484.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H17 N6 O3 Re
Calculated formula	C15 H17 N6 O3 Re
Title of publication	From N-Alkylimidazole Ligands at a Rhenium Center: Ring Opening or Formation of NHC Complexes
Authors of publication	Miguel A. Huertos; Julio Pérez; Lucía Riera; Amador Menéndez-Velázquez
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	13530 - 13531
a	8.1801 ± 0.0001 Å
b	13.292 ± 0.0002 Å
c	8.1852 ± 0.0001 Å
α	90°
β	102.405 ± 0.002°
γ	90°
Cell volume	869.2 ± 0.02 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0234
Residual factor for significantly intense reflections	0.0208
Weighted residual factors for significantly intense reflections	0.0555
Weighted residual factors for all reflections included in the refinement	0.0645
Goodness-of-fit parameter for all reflections included in the refinement	1.274
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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