Crystallography Open Database

Information card for entry 4125445

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Coordinates	4125445.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H44 B N
Calculated formula	C30 H44 B N
Title of publication	Main-Group Metallomimetics: Transition Metal-like Photolytic CO Substitution at Boron.
Authors of publication	Braunschweig, Holger; Krummenacher, Ivo; Légaré, Marc-André; Matler, Alexander; Radacki, Krzysztof; Ye, Qing
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	5
Pages of publication	1802 - 1805
a	17.216 ± 0.006 Å
b	9.185 ± 0.003 Å
c	17.525 ± 0.006 Å
α	90°
β	110.02 ± 0.02°
γ	90°
Cell volume	2603.8 ± 1.6 Å³
Cell temperature	119 ± 2 K
Ambient diffraction temperature	119 ± 2 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0691
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.1124
Weighted residual factors for all reflections included in the refinement	0.1223
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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