Crystallography Open Database

Information card for entry 4076002

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Coordinates	4076002.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H23 Cr F6 O2 P3
Calculated formula	C13 H23 Cr F6 O2 P3
Title of publication	Thermally Stable Chromium(III)η3-Allyl Complexes. Direct Structural Comparison of Neutral Chromium(II) and Cationic Chromium(III)η3-Allyl Redox Isomers
Authors of publication	Norman, David W.; McDonald, Robert; Stryker, Jeffrey M.
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	18
Pages of publication	4461
a	10.736 ± 0.0007 Å
b	11.0577 ± 0.0007 Å
c	8.0243 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	952.61 ± 0.1 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	59
Hermann-Mauguin space group symbol	P m m n :2
Hall space group symbol	-P 2ab 2a
Residual factor for all reflections	0.0347
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0854
Weighted residual factors for all reflections included in the refinement	0.0869
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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