Crystallography Open Database

Information card for entry 4345282

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Coordinates	4345282.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H46 B12 Cl11 N P2
Calculated formula	C54 H46 B12 Cl11 N P2
Title of publication	Improving the Solubility of Halogenated 1-Ammonio-closo-dodecaborate Anions.
Authors of publication	Bertocco, Philipp; Derendorf, Janis; Jenne, Carsten; Kirsch, Christoph
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	6
Pages of publication	3459 - 3466
a	11.8703 ± 0.0003 Å
b	12.9055 ± 0.0004 Å
c	21.9887 ± 0.0009 Å
α	101.214 ± 0.003°
β	100.711 ± 0.003°
γ	108.423 ± 0.003°
Cell volume	3022.1 ± 0.2 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 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	0.0956
Residual factor for significantly intense reflections	0.0653
Weighted residual factors for significantly intense reflections	0.1611
Weighted residual factors for all reflections included in the refinement	0.1927
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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