Information card for entry 2016263

Structure parameters

• Chemical name: catena-Poly[bis(ethane-1,2-diammonium) [manganese(II)-di-μ-phosphato-κ^4^O:O']]
• Formula: C4 H20 Mn N4 O8 P2
• Calculated formula: C4 H20 Mn N4 O8 P2
• SMILES: [Mn]1(OP(=O)([O-])[O-])(OP(=O)([O-])[O-])OP(=O)([O-])O[Mn]OP(=O)(O1)[O-].[NH3+]CC[NH3+].[NH3+]CC[NH3+].[NH3+]CC[NH3+].[NH3+]CC[NH3+]
• Title of publication: <i>catena</i>-Poly[bis(ethane-1,2-diammonium) [manganese(II)-di-μ-phosphato-κ^4^<i>O</i>:<i>O</i>']]: a one-dimensional manganese phosphate
• Authors of publication: Gaslain, Fabrice O. M.; Chippindale, Ann M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m537 - m540
• a: 17.2363 ± 0.0005 Å
• b: 8.5726 ± 0.0002 Å
• c: 8.8689 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1310.47 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for all reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0261
• Weighted residual factors for all reflections included in the refinement: 0.0261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes