Crystallography Open Database

Information card for entry 4108486

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Coordinates	4108486.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H42 F3 N6 O6 Re S
Calculated formula	C40 H42 F3 N6 O6 Re0.99 S
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	12.0694 ± 0.0003 Å
b	12.4173 ± 0.0004 Å
c	19.2661 ± 0.0006 Å
α	78.624 ± 0.002°
β	74.171 ± 0.002°
γ	85.731 ± 0.002°
Cell volume	2722.68 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0869
Residual factor for significantly intense reflections	0.0757
Weighted residual factors for significantly intense reflections	0.2266
Weighted residual factors for all reflections included in the refinement	0.2472
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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