Information card for entry 7210367

Structure parameters

• Chemical name: Bis(benzoylacetonato)bis(pyridine)manganese(II)
• Formula: C30 H28 Mn N2 O4
• Calculated formula: C30 H28 Mn N2 O4
• SMILES: [Mn]12([n]3ccccc3)([n]3ccccc3)(OC(=CC(c3ccccc3)=[O]1)C)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: 10.6425 ± 0.0007 Å
• b: 17.5482 ± 0.0009 Å
• c: 11.5193 ± 0.0008 Å
• α: 90°
• β: 141.11 ± 0.003°
• γ: 90°
• Cell volume: 1350.65 ± 0.17 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 0.844
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No