Information card for entry 2225220

Structure parameters

• Common name: 1338 Amir3-08 compound B4
• Chemical name: {2,2'-[3-Azapentane-1,5-diylbis(nitrilomethylidyne)]dipyrrol-1-yl}(4- methylpyridine)cobalt(III) tetraphenylborate
• Formula: C44 H44 B Co N6
• Calculated formula: C44 H44 B Co N6
• SMILES: [Co]1234(n5cccc5C=[N]1CC[NH]2CC[N]3=Cc1n4ccc1)[n]1ccc(cc1)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: {2,2'-[3-Azapentane-1,5-diylbis(nitrilomethylidyne)]dipyrrol-1-yl}(4-methylpyridine)cobalt(III) tetraphenylborate
• Authors of publication: Meghdadi, Soraia; Amirnasr, Mehdi; Mereiter, Kurt; Karimi Abdolmaleki, Mahmood
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: m332 - m333
• a: 11.0332 ± 0.0016 Å
• b: 19.559 ± 0.003 Å
• c: 17.138 ± 0.003 Å
• α: 90°
• β: 92.164 ± 0.002°
• γ: 90°
• Cell volume: 3695.7 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.053
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes