Information card for entry 7210370

Structure parameters

• Chemical name: Bis(benzoylacetonato)bis(3-aminopyridine)manganese(II)
• Formula: C30 H30 Mn N4 O4
• Calculated formula: C30 H30 Mn N4 O4
• SMILES: CC1=CC(c2ccccc2)=[O][Mn]2([n]3cc(ccc3)N)(O1)([n]1cc(N)ccc1)OC(=CC(c1ccccc1)=[O]2)C
• Title of publication: Tuning of coordination geometry via cooperation of inter- and intramolecular hydrogen bonds in bis(benzoylacetonato)manganese(ii) adducts with pyridine derivatives
• Authors of publication: Cvrtila, Ivica; Stilinović, Vladimir; Kaitner, Branko
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 33
• Pages of publication: 6585
• a: 7.5573 ± 0.0003 Å
• b: 17.7535 ± 0.0007 Å
• c: 10.6145 ± 0.0004 Å
• α: 90°
• β: 101.146 ± 0.003°
• γ: 90°
• Cell volume: 1397.27 ± 0.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0623
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No