Information card for entry 7700005

Structure parameters

• Formula: C168 H188 Mg4 N8 O24 P4
• Calculated formula: C168 H188 Mg4 N8 O24 P4
• 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: 29.9635 ± 0.001 Å
• b: 18.7967 ± 0.0005 Å
• c: 32.9183 ± 0.0011 Å
• α: 90°
• β: 120.91 ± 0.005°
• γ: 90°
• Cell volume: 15906.9 ± 1.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1459
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No