Crystallography Open Database

Information card for entry 7057173

Preview

Coordinates	7057173.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H12 N5 O4 Zn
Calculated formula	C22 H12 N5 O4 Zn
Title of publication	Two luminescent transition-metal‒organic frameworks with a predesigned ligand as highly sensitive and selective iron(iii) sensors
Authors of publication	Zhang, Jian; Zhao, Lili; Liu, Yinxia; Li, Mingyue; Li, Gang; Meng, Xiangru
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	9
Pages of publication	6839
a	11.4202 ± 0.0011 Å
b	14.1684 ± 0.0015 Å
c	13.0538 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	2112.2 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0414
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0957
Weighted residual factors for all reflections included in the refinement	0.101
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7057173.html