Crystallography Open Database

Information card for entry 4069746

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Coordinates	4069746.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H58 B2 N4
Calculated formula	C52 H58 B2 N4
Title of publication	Tris(imidazolin-2-ylidene-1-yl)borate Complexes of the Heavier Alkaline Earths: Synthesis and Structural Studies
Authors of publication	Arrowsmith, Merle; Heath, Alex; Hill, Michael S.; Hitchcock, Peter B.; Kociok-Köhn, Gabriele
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	15
Pages of publication	4550
a	17.5721 ± 0.0005 Å
b	11.7891 ± 0.0003 Å
c	21.3849 ± 0.0004 Å
α	90°
β	103.475 ± 0.002°
γ	90°
Cell volume	4308.13 ± 0.19 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0718
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.1187
Weighted residual factors for all reflections included in the refinement	0.1352
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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