Crystallography Open Database

Information card for entry 7225607

Preview

Coordinates	7225607.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H20 N8 O6 Zn
Calculated formula	C28 H20 N8 O6 Zn
Title of publication	Multifunctional mixed ligand metal organic frameworks: X-ray structure, adsorption, luminescence and electrical conductivity with theoretical correlation
Authors of publication	Bhattacharya, Biswajit; Maity, Dilip Kumar; Layek, Animesh; Jahiruddin, Sk; Halder, Arijit; Dey, Arka; Ghosh, Saheli; Chowdhury, Chandra; Datta, Ayan; Ray, Partha Pratim; Ghoshal, Debajyoti
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	30
Pages of publication	5754
a	10.377 ± 0.005 Å
b	10.954 ± 0.005 Å
c	13.394 ± 0.005 Å
α	81.382 ± 0.005°
β	86.711 ± 0.005°
γ	63.095 ± 0.005°
Cell volume	1342.3 ± 1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0465
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.1075
Weighted residual factors for all reflections included in the refinement	0.1123
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
185182 (current)	2016-08-07	cif/ Updating files of 7225607, 7225608 Original log message: Adding full bibliography for 7225607--7225608.cif.	7225607.cif
183857	2016-06-23	cif/ Adding structures of 7225607, 7225608 via cif-deposit CGI script.	7225607.cif