Information card for entry 7700000

Structure parameters

• Formula: C108 H114 Mg2 N8 O14 P2
• Calculated formula: C108 H114 Mg2 N8 O14 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: 18.6977 ± 0.0005 Å
• b: 13.5431 ± 0.0004 Å
• c: 19.4511 ± 0.0006 Å
• α: 90°
• β: 104.515 ± 0.003°
• γ: 90°
• Cell volume: 4768.3 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No