Crystallography Open Database

Information card for entry 4508053

Preview

Coordinates	4508053.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H8.58 O3.33 Zn0.5
Calculated formula	C12 H5 O3.33333 Zn0.5
Title of publication	A Continuous π-Stacked Starfish Array of Two-Dimensional Luminescent MOF for Detection of Nitro Explosives
Authors of publication	Chaudhari, Abhijeet K.; Nagarkar, Sanjog S.; Joarder, Biplab; Ghosh, Sujit K.
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	8
Pages of publication	3716
a	16.6972 ± 0.0019 Å
b	16.6972 ± 0.0019 Å
c	14.3042 ± 0.0018 Å
α	90°
β	90°
γ	120°
Cell volume	3453.7 ± 0.7 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	163
Hermann-Mauguin space group symbol	P -3 1 c
Hall space group symbol	-P 3 2c
Residual factor for all reflections	0.0957
Residual factor for significantly intense reflections	0.0812
Weighted residual factors for significantly intense reflections	0.2488
Weighted residual factors for all reflections included in the refinement	0.2616
Goodness-of-fit parameter for all reflections included in the refinement	1.259
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4508053.cif
87792	2013-08-27	cif/ Adding structures of 4508053 via cif-deposit CGI script.	4508053.cif