Information card for entry 7210888

Structure parameters

• Formula: C26 H18 N5 Ni O8
• Calculated formula: C26 H16 N5 Ni O8
• Title of publication: Ancillary ligand-assisted structural diversity of six new MOFs with 5-(4-carboxybenzoylamino)-isophthalic acid: syntheses, crystal structures and photoluminescence properties
• Authors of publication: Zhao, Wen; Han, Jie; Tian, Ge; Zhao, Xiao-Li
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 37
• Pages of publication: 7522
• a: 10.1907 ± 0.0004 Å
• b: 10.2746 ± 0.0004 Å
• c: 13.2039 ± 0.0006 Å
• α: 80.321 ± 0.001°
• β: 81.001 ± 0.001°
• γ: 66.278 ± 0.001°
• Cell volume: 1241.64 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No