Information card for entry 7106865

Structure parameters

• Formula: C31.67 H28.67 Cl2 N2 O4.67 Zn
• Calculated formula: C31.6663 H28.6664 Cl2 N2 O4.6666 Zn
• Title of publication: NbO lattice MOFs based on octahedral M(II) and ditopic pyridyl substituted diketonate ligands: structure, encapsulation and guest-driven luminescent property
• Authors of publication: Gui-Ge Hou; Yue Liu; Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 10731
• a: 21.746 ± 0.002 Å
• b: 21.746 ± 0.002 Å
• c: 7.7165 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3160.2 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.2117
• Weighted residual factors for all reflections included in the refinement: 0.2219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No