Crystallography Open Database

Information card for entry 7048912

Preview

Coordinates	7048912.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C97 H90 B2 Cl2 F20 O4 P2
Calculated formula	C97 H90 B2 Cl2 F20 O4 P2
Title of publication	Reversible O-H bond activation by an intramolecular frustrated Lewis pair.
Authors of publication	Vasko, Petra; Fuentes, M Ángeles; Hicks, Jamie; Aldridge, Simon
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	9
Pages of publication	2896 - 2899
a	11.6371 ± 0.0003 Å
b	12.5041 ± 0.0003 Å
c	17.1917 ± 0.0003 Å
α	73.1039 ± 0.0019°
β	88.8298 ± 0.0017°
γ	67.407 ± 0.002°
Cell volume	2198.1 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0701
Residual factor for significantly intense reflections	0.0648
Weighted residual factors for significantly intense reflections	0.1933
Weighted residual factors for all reflections included in the refinement	0.201
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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