Information card for entry 2238761

Structure parameters

• Formula: C16 H36 Mn N2 O20 P4
• Calculated formula: C16 H36 Mn N2 O20 P4
• SMILES: C(c1ccccc1OC)[NH3+].OP1(=O)O[Mn]2(OP(=O)(O1)O)([OH2])(OP(=O)(O)OP(=O)(O)O2)[OH2].O.C(c1ccccc1OC)[NH3+].O
• Title of publication: Bis(2-methoxybenzylammonium) diaquabis(dihydrogen diphosphato-κ^2^<i>O</i>,<i>O</i>')manganate(II) dihydrate
• Authors of publication: Elboulali, Adel; Akriche, Samah; Rzaigui, Mohamed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: m572
• a: 13.971 ± 0.002 Å
• b: 12.15 ± 0.003 Å
• c: 9.169 ± 0.002 Å
• α: 90°
• β: 93.8 ± 0.04°
• γ: 90°
• Cell volume: 1553 ± 0.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.1092
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.56087 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No