Crystallography Open Database

Information card for entry 1561197

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Coordinates	1561197.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H5 N3 O2
Calculated formula	C5 H5 N3 O2
SMILES	n1c(ncc(C(=O)O)c1)N
Title of publication	Zinc-coordinated MOFs complexes regulated by hydrogen bonds: Synthesis, structure and luminescence study toward broadband white-light emission
Authors of publication	Duan, Hui; Dan, Wenyan; Fang, Xiangdong
Journal of publication	Journal of Solid State Chemistry
Year of publication	2018
Journal volume	260
Pages of publication	159 - 164
a	3.6563 ± 0.0003 Å
b	11.7958 ± 0.001 Å
c	13.1011 ± 0.0011 Å
α	90°
β	94.623 ± 0.005°
γ	90°
Cell volume	563.2 ± 0.08 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0705
Residual factor for significantly intense reflections	0.0609
Weighted residual factors for significantly intense reflections	0.1644
Weighted residual factors for all reflections included in the refinement	0.1761
Goodness-of-fit parameter for all reflections included in the refinement	1.1
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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