Crystallography Open Database

Information card for entry 4075791

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Coordinates	Coordinates are not available: file is not found.
Original paper (by DOI)	HTML

Structure parameters

Formula	C55.5 H47.5 B F20 N2 Sc
Calculated formula	C55.5 H47.5 B F20 N2 Sc
Title of publication	Synthesis, Structure, and Ion Pair Dynamics of β-Diketiminato-Supported Organoscandium Contact Ion Pairs
Authors of publication	Hayes, Paul G.; Piers, Warren E.; Parvez, Masood
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	6
Pages of publication	1173
a	12.2225 ± 0.0002 Å
b	13.9703 ± 0.0002 Å
c	16.9809 ± 0.0003 Å
α	82.774 ± 0.0006°
β	73.665 ± 0.0006°
γ	73.686 ± 0.0008°
Cell volume	2667 ± 0.08 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0902
Residual factor for significantly intense reflections	0.0736
Weighted residual factors for significantly intense reflections	0.2329
Weighted residual factors for all reflections included in the refinement	0.2517
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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