Information card for entry 7700003

Structure parameters

• Formula: C158 H210 Cl6 Mg4 N4 O44 P4
• Calculated formula: C158 H210 Cl6 Mg4 N4 O44 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: 10.4957 ± 0.0001 Å
• b: 20.6949 ± 0.0003 Å
• c: 21.1795 ± 0.0003 Å
• α: 87.483 ± 0.001°
• β: 76.573 ± 0.001°
• γ: 83.507 ± 0.001°
• Cell volume: 4445.16 ± 0.1 ų
• Cell temperature: 148 ± 2 K
• Ambient diffraction temperature: 148 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No