Information card for entry 2020966

Structure parameters

• Chemical name: Poly[[[μ~3~-9,9-bis(2-hydroxyethyl)-2,7-bis(pyridin-4-yl)fluorene-κ^3^<i>N</i>:<i>N</i>':<i>O<i>]bis(methanol-κ<i>O</i>)(μ-sulfato-κ^2^<i>O</i>:<i>O</i>')nickel(II)] methanol disolvate]
• Formula: C30 H36 N2 Ni O9 S
• Calculated formula: C30 H36 N2 Ni O9 S
• Title of publication: Characterization and gas adsorption of a novel three-dimensional metal‒organic framework (MOF) generated from a new polydentate fluorene-bridged ligand
• Authors of publication: Han, Shu-Ying; Niu, Xue; Wang, Jia; Jin, Guo-Xia; Liu, Ai; Ma, Jian-Ping
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 2
• a: 10.281 ± 0.0002 Å
• b: 23.5073 ± 0.0005 Å
• c: 12.3557 ± 0.0002 Å
• α: 90°
• β: 95.674 ± 0.002°
• γ: 90°
• Cell volume: 2971.48 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes