Crystallography Open Database

Information card for entry 4123680

Preview

Coordinates	4123680.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H10 F6 In O5
Calculated formula	C18 H10 F6 In O5
Title of publication	Tunable catalytic activity of solid solution metal-organic frameworks in one-pot multicomponent reactions.
Authors of publication	Aguirre-Díaz, Lina María; Gándara, Felipe; Iglesias, Marta; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Monge, M Ángeles
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	19
Pages of publication	6132 - 6135
a	25.375 ± 0.0013 Å
b	13.1271 ± 0.0006 Å
c	13.1893 ± 0.0006 Å
α	90°
β	107.305 ± 0.003°
γ	90°
Cell volume	4194.5 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 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	0.1263
Residual factor for significantly intense reflections	0.0761
Weighted residual factors for significantly intense reflections	0.1879
Weighted residual factors for all reflections included in the refinement	0.2552
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
138251 (current)	2015-06-05	cif/ Updating files of 4123555, 4123679, 4123680 Original log message: Adding full bibliography for 4123555--4123680.cif.	4123680.cif
136802	2015-05-18	cif/ Adding structures of 4123680 via cif-deposit CGI script.	4123680.cif