Information card for entry 2013374

Structure parameters

• Chemical name: catena-poly[[diaquamanganese(II)]-di-μ-1,1,3,3-tetracyano- 2-ethoxypropenido-κ^4^N^1^:N^3^]
• Formula: C18 H14 Mn N8 O4
• Calculated formula: C18 H14 Mn N8 O4
• SMILES: [Mn]1([OH2])([OH2])([N]#CC(C#N)=C(OCC)C(C#N)=C=N[Mn]([OH2])([OH2])[N]#CC(C#N)=C(OCC)C(C#N)=C=N1)(N=C=C(C#N)C(OCC)=C(C#N)C#N)N=C=C(C#N)C(OCC)=C(C#N)C#N
• Title of publication: <i>catena</i>-Poly[[diaquamanganese(II)]-di-μ-1,1,3,3-tetracyano-2-ethoxypropenido-κ^4^<i>N</i>^1^:<i>N</i>^3^]
• Authors of publication: Schlueter, John A.; Geiser, Urs
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 4
• Pages of publication: m146 - m148
• a: 8.3288 ± 0.0004 Å
• b: 8.522 ± 0.0004 Å
• c: 9.3793 ± 0.0005 Å
• α: 81.387 ± 0.002°
• β: 69.135 ± 0.002°
• γ: 64.589 ± 0.002°
• Cell volume: 561.88 ± 0.05 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes