Information card for entry 2007010

Structure parameters

• Chemical name: 4,4'-dimethyl-2,2'-bipyridinetrichloromanganese(III) acetonitrile solvate
• Formula: C14 H15 Cl3 Mn N3
• Calculated formula: C14 H15 Cl3 Mn N3
• SMILES: [Mn]1(Cl)(Cl)(Cl)[n]2ccc(C)cc2c2cc(C)cc[n]12.N#CC
• Title of publication: Trichloro(4,4'-dimethyl-2,2'-bipyridine-<i>N</i>,<i>N</i>')manganese(III) Acetonitrile Solvate (1/1)
• Authors of publication: Abboud, Khalil A.; Ward, Brian H.; Talham, Daniel R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 2
• Pages of publication: 180 - 181
• a: 7.4118 ± 0.0001 Å
• b: 16.728 ± 0.0003 Å
• c: 13.5168 ± 0.0001 Å
• α: 90°
• β: 90.748 ± 0.001°
• γ: 90°
• Cell volume: 1675.73 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for all reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.076
• Goodness-of-fit parameter for all reflections: 1.07
• Goodness-of-fit parameter for significantly intense reflections: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No