Crystallography Open Database

Information card for entry 4103890

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Coordinates	4103890.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H33 B F10 Si2 Zr
Calculated formula	C34 H34 B F10 Si2 Zr
Title of publication	Five-Membered Zirconacycloallenoids: Synthesis and Characterization of Members of a Unique Class of Internally Metal-Stabilized Bent Allenoid Compounds
Authors of publication	Juri Ugolotti; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	1996 - 2007
a	10.0841 ± 0.0003 Å
b	15.819 ± 0.0005 Å
c	11.5732 ± 0.0004 Å
α	90°
β	104.946 ± 0.001°
γ	90°
Cell volume	1783.7 ± 0.1 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0957
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.1191
Weighted residual factors for all reflections included in the refinement	0.1356
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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