Crystallography Open Database

Information card for entry 7031423

Preview

Coordinates	7031423.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H24 B F15 Zr
Calculated formula	C37 H24 B F15 Zr
Title of publication	Reaction of five-membered zirconacycloallenoids with the strong Lewis acid B(C6F5)3.
Authors of publication	Bender, Georg; Daniliuc, Constantin G.; Wibbeling, Birgit; Kehr, Gerald; Erker, Gerhard
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	32
Pages of publication	12210 - 12213
a	8.3106 ± 0.0002 Å
b	12.2167 ± 0.0003 Å
c	17.4089 ± 0.0004 Å
α	107.973 ± 0.001°
β	90.09 ± 0.001°
γ	97.935 ± 0.002°
Cell volume	1663.31 ± 0.07 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 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	0.0726
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.1094
Weighted residual factors for all reflections included in the refinement	0.1212
Goodness-of-fit parameter for all reflections included in the refinement	1.126
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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