Crystallography Open Database

Information card for entry 7117026

Preview

Coordinates	7117026.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H41.2 Cd Cl2 N12 O10
Calculated formula	C54 H41.2 Cd Cl2 N12 O10
Title of publication	p-Benzoquinone adsorption-separation, sensing and its photoinduced transformation within a robust Cd(II)-MOF in a SC-SC fashion
Authors of publication	Fan Yang; Qi-Kui Liu; Dan Wu; An-Yan Li; Yu-Bin Dong
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	7443
a	15.90821 ± 0.00018 Å
b	15.90821 ± 0.00018 Å
c	21.6184 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	5470.99 ± 0.13 Å³
Cell temperature	100.03 ± 0.11 K
Ambient diffraction temperature	100.03 ± 0.11 K
Number of distinct elements	6
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0508
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.1185
Weighted residual factors for all reflections included in the refinement	0.1246
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180284 (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 7/11/70.	7117026.cif
135314	2015-04-17	cif/ Adding structures of 7117024, 7117025, 7117026 via cif-deposit CGI script.	7117026.cif