Crystallography Open Database

Information card for entry 7242042

7242041 << 7242042 >> 7242043

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Coordinates	7242042.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H36 N6 O7.5 Zn
Calculated formula	C37 H32 N6 O4 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	9.5737 ± 0.0005 Å
b	11.8435 ± 0.0005 Å
c	15.8044 ± 0.0009 Å
α	75.085 ± 0.004°
β	75.49 ± 0.004°
γ	84.345 ± 0.004°
Cell volume	1675.28 ± 0.15 Å³
Cell temperature	295 ± 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	0.1282
Residual factor for significantly intense reflections	0.1071
Weighted residual factors for significantly intense reflections	0.2672
Weighted residual factors for all reflections included in the refinement	0.2773
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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