Crystallography Open Database

Information card for entry 7215070

Preview

Coordinates	7215070.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H6 Cu4 O15 Se
Calculated formula	C18 H6 Cu4 O15 Se
Title of publication	A unique microporous copper trimesate selenite with high selectivity for CO2
Authors of publication	Papaefstathiou, Giannis S.; Subrahmanyam, Kota S.; Armatas, Gerasimos S.; Malliakas, Christos D.; Kanatzidis, Mercouri G.; Manos, Manolis J.
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	17
Pages of publication	3483
a	38.391 ± 0.006 Å
b	12.3697 ± 0.0011 Å
c	14.1757 ± 0.0014 Å
α	90°
β	90.165 ± 0.01°
γ	90°
Cell volume	6731.8 ± 1.4 Å³
Cell temperature	473 ± 2 K
Ambient diffraction temperature	473 ± 2 K
Number of distinct elements	5
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	0.249
Residual factor for significantly intense reflections	0.1312
Weighted residual factors for significantly intense reflections	0.2912
Weighted residual factors for all reflections included in the refinement	0.3382
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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