Information card for entry 7700001

Structure parameters

• Formula: C78 H95 Mg2 N2 O18 P2
• Calculated formula: C78 H95 Mg2 N2 O18 P2
• Title of publication: Modulation of the Nuclearity of Molecular Mg(II)-Phosphates: Solid-State Structural Change Involving Coordinating Solvents
• Authors of publication: Santra, Biswajit; Narayanan, Suriya; Kalita, Pankaj; Kumar, Vierandra; Mandal, Debdeep; Gupta, Vivek; Zimmer, Michael; Huch, Volker; Chandrasekhar, Vadapalli; Scheschkewitz, David; Schulzke, Carola; Jana, Anukul
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 31.61 ± 0.006 Å
• b: 10.344 ± 0.002 Å
• c: 23.225 ± 0.005 Å
• α: 90°
• β: 91.52 ± 0.03°
• γ: 90°
• Cell volume: 7591 ± 3 ų
• Cell temperature: 119 ± 2 K
• Ambient diffraction temperature: 119 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.168
• Residual factor for significantly intense reflections: 0.1476
• Weighted residual factors for significantly intense reflections: 0.3547
• Weighted residual factors for all reflections included in the refinement: 0.368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.214
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No