Crystallography Open Database

Information card for entry 4345639

Preview

Coordinates	4345639.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H17 N O12 Zn2.5
Calculated formula	C26 H17 N O12 Zn2.5
Title of publication	Unprecedented Li(+) Exchange in an Anionic Metal-Organic Framework: Significantly Enhanced Gas Uptake Capacity.
Authors of publication	Liu, Bo; Zhang, Rui; Pan, Chun-Yang; Jiang, Hai-Long
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	8
Pages of publication	4263 - 4266
a	12.3215 ± 0.001 Å
b	30.711 ± 0.003 Å
c	22.7224 ± 0.0018 Å
α	90°
β	94.229 ± 0.002°
γ	90°
Cell volume	8574.9 ± 1.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0814
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1456
Weighted residual factors for all reflections included in the refinement	0.1527
Goodness-of-fit parameter for all reflections included in the refinement	0.908
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
196114 (current)	2017-05-05	cif/ Updating files of 4345639, 4345640 Original log message: Adding full bibliography for 4345639--4345640.cif.	4345639.cif
195208	2017-04-06	cif/ Adding structures of 4345639 via cif-deposit CGI script.	4345639.cif