Crystallography Open Database

Information card for entry 7059865

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Coordinates	7059865.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C162 H216 Cu55 N12
Calculated formula	C162 H216 Cu55 N12
Title of publication	Stability and decomposition of copper(i) boryl complexes: [(IDipp)Cu‒Bneop], [(IDipp*)Cu‒Bneop] and copper clusters
Authors of publication	Drescher, Wiebke; Borner, Corinna; Kleeberg, Christian
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	33
Pages of publication	14957 - 14964
a	18.5018 ± 0.0011 Å
b	18.5259 ± 0.0012 Å
c	19.1587 ± 0.0012 Å
α	72.233 ± 0.006°
β	61.343 ± 0.006°
γ	82.045 ± 0.006°
Cell volume	5487.4 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0847
Residual factor for significantly intense reflections	0.0619
Weighted residual factors for significantly intense reflections	0.1796
Weighted residual factors for all reflections included in the refinement	0.2022
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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