Crystallography Open Database

Information card for entry 7206725

7206724 << 7206725 >> 7206726

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Coordinates	7206725.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	cesium triphenylcyanoborate
Formula	C39 H34 B2 Cs2 N2 O
Calculated formula	C39 H34 B2 Cs2 N2 O
Title of publication	Crystal data behind efficient cesium recognition: triphenylcyanoborates of potassium, rubidium, and cesium
Authors of publication	Nazarenko, Alexander Y.; Nemykin, Victor N.
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	21
Pages of publication	6352
a	23.317 ± 0.005 Å
b	18.586 ± 0.004 Å
c	9.209 ± 0.0018 Å
α	90°
β	106.36 ± 0.03°
γ	90°
Cell volume	3829.3 ± 1.5 Å³
Cell temperature	292 ± 2 K
Ambient diffraction temperature	292 ± 2 K
Number of distinct elements	6
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	0.0486
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0895
Weighted residual factors for all reflections included in the refinement	0.0946
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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