Crystallography Open Database

Information card for entry 7115896

Preview

Coordinates	7115896.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H43 Ag3 Cl3 F18 N12 O5 Sb3
Calculated formula	C45 H43 Ag3 Cl3 F18 N12 O5 Sb3
Title of publication	A nanoporous Ag(I)-MOF showing unique selective adsorption of benzene among its organic analogues
Authors of publication	Jun-Yan Cheng; Peng Wang; Jian-Ping Ma; Qi-Kui Liu; Yu-Bin Dong
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	13672
a	15.9174 ± 0.0015 Å
b	15.9174 ± 0.0015 Å
c	44.26 ± 0.006 Å
α	90°
β	90°
γ	120°
Cell volume	9711.5 ± 1.8 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	8
Space group number	179
Hermann-Mauguin space group symbol	P 65 2 2
Hall space group symbol	P 65 2 (0 0 1)
Residual factor for all reflections	0.0694
Residual factor for significantly intense reflections	0.0646
Weighted residual factors for significantly intense reflections	0.1792
Weighted residual factors for all reflections included in the refinement	0.1855
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
180272 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/58.	7115896.cif
128115	2014-12-04	cif/ Adding structures of 7115896, 7115897 via cif-deposit CGI script.	7115896.cif