Information card for entry 7060438

Structure parameters

• Formula: C43 H30 Cu2 N11 O9
• Calculated formula: C43 H30 Cu2 N11 O9
• Title of publication: Construction of a series of metal-directed MOFs to explore their physical and chemical properties
• Authors of publication: Akhtar, Sohel; Singha, Pabitra; De, Avik; Das, Krishna Sundar; Saha, Sayan; Bala, Sukhen; Mondal, Raju
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 6438 - 6449
• a: 7.2638 ± 0.0003 Å
• b: 11.8595 ± 0.0005 Å
• c: 13.0619 ± 0.0006 Å
• α: 72.35 ± 0.002°
• β: 78.127 ± 0.002°
• γ: 76.793 ± 0.002°
• Cell volume: 1032.53 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0437
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No