Crystallography Open Database

Information card for entry 7706570

Preview

Coordinates	7706570.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H35 B10 N3
Calculated formula	C23 H35 B10 N3
Title of publication	Impact of deboronation on the electronic characteristics of closo-o-carborane: intriguing photophysical changes in triazole-appended carboranyl luminophores.
Authors of publication	Kim, Mingi; Im, Sehee; Ryu, Chan Hee; Lee, Seok Ho; Hong, Ju Hyun; Lee, Kang Mun
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	9
Pages of publication	3207 - 3215
a	25.43 ± 0.005 Å
b	14.506 ± 0.003 Å
c	16.515 ± 0.003 Å
α	90°
β	100.4 ± 0.03°
γ	90°
Cell volume	5992 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.1308
Residual factor for significantly intense reflections	0.0749
Weighted residual factors for significantly intense reflections	0.2108
Weighted residual factors for all reflections included in the refinement	0.2531
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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