Crystallography Open Database

Information card for entry 7031424

Preview

Coordinates	7031424.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H42 B F15 Zr
Calculated formula	C56 H42 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	11.9272 ± 0.0002 Å
b	22.9097 ± 0.0003 Å
c	18.2983 ± 0.0002 Å
α	90°
β	106.009 ± 0.001°
γ	90°
Cell volume	4806.08 ± 0.12 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0485
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.0828
Weighted residual factors for all reflections included in the refinement	0.0894
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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