Information card for entry 4513992

Structure parameters

• Formula: C23.25 H15.5 Cl7.75 Cu N4 O3.25
• Calculated formula: C23.348 H15.348 Cl7.696 Cu N4 O3.304
• Title of publication: Tunable Electrical Conductivity and Magnetic Property of the Two Dimensional Metal Organic Framework [Cu(TPyP)Cu2(O2CCH3)4]
• Authors of publication: Sengupta, Ananya; Datta, Subhadeep; Su, Chenliang; Herng, Tun Seng; Ding, Jun; Vittal, Jagadese J.; Loh, Kian Ping
• Journal of publication: ACS Applied Materials & Interfaces
• Year of publication: 2016
• Journal volume: 8
• Journal issue: 25
• Pages of publication: 16154
• a: 13.636 ± 0.003 Å
• b: 13.636 ± 0.003 Å
• c: 19.467 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3619.7 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 94
• Hermann-Mauguin space group symbol: P 42 21 2
• Hall space group symbol: P 4n 2n
• Residual factor for all reflections: 0.0967
• Residual factor for significantly intense reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.2353
• Weighted residual factors for all reflections included in the refinement: 0.2439
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No