Crystallography Open Database

Information card for entry 1564458

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Coordinates	1564458.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H28 B5 Cu N5 O13
Calculated formula	C28 H28 B5 Cu N5 O13
Title of publication	Formation of oxidopolyborates in destruction of the [B11H14]‒ anion promoted by transition metals
Authors of publication	Avdeeva, Varvara V.; Malinina, Elena A.; Vologzhanina, Anna V.; Sivaev, Igor B.; Kuznetsov, Nikolay T.
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	509
Pages of publication	119693
a	10.3336 ± 0.0013 Å
b	11.0661 ± 0.0014 Å
c	16.462 ± 0.002 Å
α	102.982 ± 0.002°
β	95.93 ± 0.002°
γ	110.838 ± 0.002°
Cell volume	1679.3 ± 0.4 Å³
Cell temperature	175 ± 2 K
Ambient diffraction temperature	175 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1074
Residual factor for significantly intense reflections	0.0658
Weighted residual factors for significantly intense reflections	0.1681
Weighted residual factors for all reflections included in the refinement	0.1903
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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