Information card for entry 7203086

Structure parameters

• Formula: C42 H58 N16 Ni2 O19
• Calculated formula: C42 H58 N16 Ni2 O19
• Title of publication: Synthesis, structures and properties of nickel(ii) and cobalt(ii) metal‒organic frameworks based on a flexible tricarboxylate ligand H3TTG and different pyridyl-containing ligands
• Authors of publication: Wang, Su-Na; Bai, Junfeng; Li, Yi-Zhi; Pan, Yi; Scheer, Manfred; You, Xiao-Zeng
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 1084
• a: 29.059 ± 0.0016 Å
• b: 10.0284 ± 0.0005 Å
• c: 18.1396 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5286.2 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1602
• Weighted residual factors for all reflections included in the refinement: 0.1689
• 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: No
• Has Fobs: No