Information card for entry 2212170

Structure parameters

• Chemical name: decaaquadioxobis[μ~3~-N-(phosphonomethyl)iminodiacetato]dimanganesedivanadium dihydrate, [Mn~2~V~2~(C~5~H~6~NO~7~P)~2~O~2~(H~2~O)~10~].2H~2~O
• Formula: C10 H36 Mn2 N2 O28 P2 V2
• Calculated formula: C10 H32 Mn2 N2 O28 P2 V2
• SMILES: C1P2(=[O][Mn]([OH2])([OH2])([OH2])([OH2])[OH2])O[V]345([N](CP(=[O][Mn]([OH2])([OH2])([OH2])([OH2])[OH2])(O[V]67([N]1(CC(=O)O6)CC(=O)O7)(O2)=O)O3)(CC(=O)O4)CC(=O)O5)=O.O.O
• Title of publication: Decaaquadioxobis[μ~3~-<i>N</i>-(phosphonomethyl)iminodiacetato]dimanganesedivanadium dihydrate
• Authors of publication: Cunha-Silva, Luis; Shi, Fa-Nian; Klinowski, Jacek; Trindade, Tito; Rocha, João; Almeida Paz, Filipe A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: m372 - m375
• a: 10.096 ± 0.002 Å
• b: 14.934 ± 0.003 Å
• c: 10.848 ± 0.002 Å
• α: 90°
• β: 110.52 ± 0.03°
• γ: 90°
• Cell volume: 1531.8 ± 0.6 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• 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: 0.0544
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes