Crystallography Open Database

Information card for entry 7058093

Preview

Coordinates	7058093.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H44 N4 O10 Zn2
Calculated formula	C52 H44 N4 O10 Zn2
Title of publication	Metal‒ligand ring aromaticity in a 2D coordination polymer used as a photosensitive electronic device
Authors of publication	Ahmed, Faruk; Ghosh, Sourav Ranjan; Halder, Soumi; Guin, Surajit; Alam, Seikh Mafiz; Ray, Partha Pratim; Jana, Atish Dipankar; Mir, Mohammad Hedayetullah
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	6
Pages of publication	2710
a	13.447 ± 0.0005 Å
b	19.7664 ± 0.0007 Å
c	18.1854 ± 0.0006 Å
α	90°
β	108.902 ± 0.001°
γ	90°
Cell volume	4573 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0708
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.165
Weighted residual factors for all reflections included in the refinement	0.1853
Goodness-of-fit parameter for all reflections included in the refinement	0.961
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
224827 (current)	2019-11-08	cif/ Updating files of 7058093 Original log message: Adding full bibliography for 7058093.cif.	7058093.cif
212984	2019-01-11	cif/ Adding structures of 7058093 via cif-deposit CGI script.	7058093.cif