Crystallography Open Database

Information card for entry 4123679

Preview

Coordinates	4123679.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H8 Al F6 O5
Calculated formula	C17 H8 Al F6 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	24.988 ± 0.003 Å
b	12.6951 ± 0.0017 Å
c	12.3953 ± 0.0019 Å
α	90°
β	108.173 ± 0.012°
γ	90°
Cell volume	3736 ± 0.9 Å³
Cell temperature	298 ± 1 K
Ambient diffraction temperature	298 ± 1 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	0.23
Residual factor for significantly intense reflections	0.0975
Weighted residual factors for significantly intense reflections	0.2376
Weighted residual factors for all reflections included in the refinement	0.3062
Goodness-of-fit parameter for all reflections included in the refinement	0.862
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.	4123679.cif
136801	2015-05-18	cif/ Adding structures of 4123679 via cif-deposit CGI script.	4123679.cif