Information card for entry 7236494

Structure parameters

• Chemical name: In-BDC-NH2
• Formula: C12 H8.25 In0.75 N1.5 O6
• Calculated formula: C12 H8.2503 In0.75 N1.5 O6
• Title of publication: Investigation of the effect of polar functional groups on the crystal structures of indium MOFs
• Authors of publication: Krüger, Martin; Albat, Martin; Inge, A. Ken; Stock, Norbert
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 31
• Pages of publication: 4622
• a: 14.738 ± 0.002 Å
• b: 14.738 ± 0.002 Å
• c: 12.257 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2305.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 180
• Hermann-Mauguin space group symbol: P 62 2 2
• Hall space group symbol: P 62 2 (0 0 4)
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No