Information card for entry 2217791

Structure parameters

• Chemical name: Diaquabis(4-chlorobenzoato-κO)bis(N,N-diethylnicotinamide-κN^1^)manganese(II)
• Formula: C34 H40 Cl2 Mn N4 O8
• Calculated formula: C34 H40 Cl2 Mn N4 O8
• SMILES: [Mn]([n]1cccc(c1)C(=O)N(CC)CC)([n]1cccc(c1)C(=O)N(CC)CC)(OC(=O)c1ccc(cc1)Cl)(OC(=O)c1ccc(cc1)Cl)([OH2])[OH2]
• Title of publication: Diaquabis(4-chlorobenzoato-κ<i>O</i>)bis(<i>N</i>,<i>N</i>-diethylnicotinamide-κ<i>N</i>^1^)manganese(II)
• Authors of publication: Hökelek, Tuncer; Çaylak, Nagihan; Necefoğlu, Hacali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: m505 - m506
• a: 7.3552 ± 0.0001 Å
• b: 8.6465 ± 0.0002 Å
• c: 15.9847 ± 0.0003 Å
• α: 84.5 ± 0.016°
• β: 78.616 ± 0.017°
• γ: 68.154 ± 0.017°
• Cell volume: 924.73 ± 0.12 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1239
• Residual factor for significantly intense reflections: 0.0801
• Weighted residual factors for significantly intense reflections: 0.2183
• Weighted residual factors for all reflections included in the refinement: 0.2543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes