Information card for entry 2232948

Structure parameters

• Chemical name: {4,6-Bis[(<i>E</i>)-1-methyl-2-(pyridin-2-ylmethylidene)hydrazinyl]pyrimidine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}dichloridomanganese(II)
• Formula: C18 H18 Cl2 Mn N8
• Calculated formula: C18 H18 Cl2 Mn N8
• SMILES: [Mn]12(Cl)(Cl)[n]3c(N([N]1=Cc1[n]2cccc1)C)cc(N(/N=C/c1ncccc1)C)nc3
• Title of publication: {4,6-Bis[(<i>E</i>)-1-methyl-2-(pyridin-2-ylmethylidene)hydrazinyl]pyrimidine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}dichloridomanganese(II)
• Authors of publication: Marzec, Bartosz; Mahimaidoss, Mariyatra; Zhang, Lei; McCabe, Thomas; Schmitt, Wolfgang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1676
• a: 8.8355 ± 0.0012 Å
• b: 10.0972 ± 0.0014 Å
• c: 12.1466 ± 0.0017 Å
• α: 72.571 ± 0.003°
• β: 77.694 ± 0.003°
• γ: 75.7 ± 0.003°
• Cell volume: 990.4 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0494
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes