Information card for entry 7703313

Structure parameters

• Formula: C163 H159 Cu9 N15 O23 P4
• Calculated formula: C129 H130 Cu9 N15 O23 P4
• Title of publication: Molecular enneanuclear Cu^II phosphates containing planar hexanuclear and trinuclear sub-units: syntheses, structures, and magnetism.
• Authors of publication: Santra, Biswajit; Kalita, Pankaj; Chandra, Shubhadeep; Mandal, Debdeep; Kumar, Vierandra; Narayanan, Ramakirushnan Surya; Dey, Atanu; Chrysochos, Nicolas; Huch, Volker; Biswas, Sourav; Ghoshal, Debajyoti; Sañudo, E Carolina; Sarkar, Biprajit; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 8
• Pages of publication: 2527 - 2536
• a: 31.38 ± 0.004 Å
• b: 31.38 ± 0.004 Å
• c: 27.242 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 23231 ± 6 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0964
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 0.825
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No