Crystallography Open Database

Information card for entry 7102809

Preview

Coordinates	7102809.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H44 F3 N2 O4 P S
Calculated formula	C31 H44 F3 N2 O4 P S
Title of publication	A β-diketiminato hydroxyphosphenium cation: phosphinous acid‒secondary phosphine oxidetautomerism revisited
Authors of publication	Lu, Zheng; Findlater, Michael; Cowley, Alan H.
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2008
Journal issue	2
Pages of publication	184 - 186
a	8.9393 ± 0.0018 Å
b	12.215 ± 0.002 Å
c	30.199 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	3297.5 ± 1.1 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	7
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	0.0656
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1291
Weighted residual factors for all reflections included in the refinement	0.1402
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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