Crystallography Open Database

Information card for entry 4089037

Preview

Coordinates	4089037.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H25.5 F12.5 Ga N2
Calculated formula	C30 H25.5001 F12.4999 Ga N2
Title of publication	Aluminum and Gallium Hydrazides as Active Lewis Pairs: Cooperative C‒H Bond Activation with H‒C≡C‒Ph and Pentafluorobenzene
Authors of publication	Uhl, Werner; Willeke, Matthias; Hengesbach, Frank; Hepp, Alexander; Layh, Marcus
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	21
Pages of publication	3701
a	11.4372 ± 0.0006 Å
b	11.6551 ± 0.0006 Å
c	11.7123 ± 0.0006 Å
α	94.385 ± 0.002°
β	112.509 ± 0.001°
γ	97.741 ± 0.001°
Cell volume	1415.14 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0659
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.0977
Weighted residual factors for all reflections included in the refinement	0.1042
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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