Information card for entry 7244113

Structure parameters

• Chemical name: ZrMOF-Ni
• Formula: C82 H98 Cl4 N10 Ni O24 Zr6
• Calculated formula: C82 H98 Cl4 N10 Ni O24 Zr6
• Title of publication: Stepwise synthesis of Zr-based metal–organic frameworks: incorporating a trinuclear zirconocene-based metallo-pyridine ligand
• Authors of publication: Zhu, Juan; Liu, Zhao-Yang; Li, Shuang-bao; Huang, He; Jiang, Bao-Xu; Zhang, Yu-Teng
• Journal of publication: CrystEngComm
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 3
• Pages of publication: 475 - 478
• a: 11.3213 ± 0.0006 Å
• b: 12.545 ± 0.0007 Å
• c: 21.9866 ± 0.0013 Å
• α: 82.573 ± 0.002°
• β: 76.173 ± 0.002°
• γ: 75.347 ± 0.002°
• Cell volume: 2925.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No