Crystallography Open Database

Information card for entry 4517016

Preview

Coordinates	4517016.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H9 N2 O4 Zn
Calculated formula	C13 H9 N2 O4 Zn
Title of publication	Construction of Pillar-Layer Metal‒Organic Frameworks for CO2 Adsorption under Humid Climate: High Selectivity and Sensitive Detection of Picric Acid in Water
Authors of publication	Senthilkumar, S.; Goswami, Ranadip; Obasi, Nnamdi Lawrence; Neogi, Subhadip
Journal of publication	ACS Sustainable Chemistry & Engineering
Year of publication	2017
Journal volume	5
Journal issue	12
Pages of publication	11307
a	12.549 ± 0.007 Å
b	7.632 ± 0.007 Å
c	16.158 ± 0.01 Å
α	90°
β	109.74 ± 0.05°
γ	90°
Cell volume	1456.6 ± 1.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0792
Residual factor for significantly intense reflections	0.0601
Weighted residual factors for significantly intense reflections	0.1164
Weighted residual factors for all reflections included in the refinement	0.1493
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
239698 (current)	2019-11-24	cif/ Adding structures of 4517016, 4517017, 4517018, 4517019 via cif-deposit CGI script.	4517016.cif