Crystallography Open Database

Information card for entry 7237491

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Coordinates	7237491.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H31 B10 I
Calculated formula	C32 H31 B10 I
Title of publication	Photoluminescence in m-carborane‒anthracene triads: a combined experimental and computational study
Authors of publication	Chaari, Mahdi; Kelemen, Zsolt; Planas, José Giner; Teixidor, Francesc; Choquesillo-Lazarte, Duane; Ben Salah, Abdelhamid; Viñas, Clara; Núñez, Rosario
Journal of publication	Journal of Materials Chemistry C
Year of publication	2018
Journal volume	6
Journal issue	42
Pages of publication	11336
a	18.808 ± 0.003 Å
b	9.1786 ± 0.0013 Å
c	18.193 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3140.7 ± 0.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	26
Hermann-Mauguin space group symbol	P m c 21
Hall space group symbol	P 2c -2
Residual factor for all reflections	0.0417
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.069
Weighted residual factors for all reflections included in the refinement	0.0724
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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