Crystallography Open Database

Information card for entry 4517018

Preview

Coordinates	4517018.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H10 N2 O4 Zn
Calculated formula	C14 H10 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	35.331 ± 0.002 Å
b	7.6491 ± 0.0004 Å
c	16.0546 ± 0.0008 Å
α	90°
β	108.658 ± 0.002°
γ	90°
Cell volume	4110.7 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0519
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0814
Weighted residual factors for all reflections included in the refinement	0.086
Goodness-of-fit parameter for all reflections included in the refinement	0.959
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.	4517018.cif