Crystallography Open Database

Information card for entry 4076003

Preview

Coordinates	4076003.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37.5 H38 Cr F6 O3.5 P3
Calculated formula	C37.5 H38 Cr F6 O3.5 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	12.0893 ± 0.001 Å
b	16.7108 ± 0.0014 Å
c	19.447 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	3928.7 ± 0.6 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0859
Residual factor for significantly intense reflections	0.0676
Weighted residual factors for significantly intense reflections	0.1759
Weighted residual factors for all reflections included in the refinement	0.1911
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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