Crystallography Open Database

Information card for 7206023

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Structure parameters

Formula - C13 H8 N2 O4.5 Zn0.5 -
Calculated formula - C13 H8 N2 O4.5 Zn0.5 -
Title of publication Solvent and temperature influence structural variation from nonporous 2D →3D parallel polycatenation to 3D microporous metal‒organic framework
Authors of publication Yang, Ming; Jiang, Feilong; Chen, Qihui; Zhou, Youfu; Feng, Rui; Xiong, Kecai; Hong, Maochun
Journal of publication CrystEngComm
Year of publication 2011
Journal volume 13
Journal issue 12
a 20.481 ± 0.012 Å
b 10.09 ± 0.005 Å
c 13.992 ± 0.008 Å
α 90°
β 125.41 ± 0.008°
γ 90°
Cell volume 2357 ± 2 Å3
Cell temperature 293 ± 2 K
Ambient diffraction temperature 293 ± 2 K
Number of distinct elements 5
Hermann-Mauguin symmetry space group C 1 2/c 1
Hall symmetry space group -C 2yc
Residual factor for all reflections 0.0635
Residual factor for observed reflections 0.0508
Weighted residual factors for the observed reflections 0.098
Weighted residual factors for all reflections included in the refinement 0.103
Goodness-of-fit parameter for observed reflections 1.082
Diffraction radiation wavelength 0.71073 Å
Diffraction radiation type MoKα
Has coordinates Yes
Has disorder No
Has Fobs No

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