Crystallography Open Database

Information card for entry 7242045

7242044 << 7242045 >> 7242046

Preview

Coordinates	7242045.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H17.5 N3 O5.5 Zn
Calculated formula	C20 H16.5 N3 O5.5 Zn
Title of publication	Four dual-functional luminescent Zn(ii)-MOFs based on 1,2,4,5-benzenetetracarboxylic acid with pyridylbenzimidazole ligands for detection of iron(iii) ions and acetylacetone
Authors of publication	Shi, Yong-Sheng; Yu, Qiang; Zhang, Jian-Wei; Cui, Guang-Hua
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	7
Pages of publication	1604 - 1615
a	8.8439 ± 0.0001 Å
b	10.2104 ± 0.0002 Å
c	10.7211 ± 0.0002 Å
α	99.388 ± 0.002°
β	96.184 ± 0.001°
γ	101.935 ± 0.001°
Cell volume	924.41 ± 0.03 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0456
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0844
Weighted residual factors for all reflections included in the refinement	0.0887
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
262593 (current)	2021-03-05	cif/ Updating files of 7242042, 7242043, 7242044, 7242045 Original log message: Adding full bibliography for 7242042--7242045.cif.	7242045.cif
260867	2021-01-09	cif/ Adding structures of 7242042, 7242043, 7242044, 7242045 via cif-deposit CGI script.	7242045.cif