Information card for entry 7210368

Structure parameters

• Chemical name: Bis(benzoylacetonato)bis(pyridine)manganese(II)
• Formula: C32 H32 Mn N2 O4
• Calculated formula: C32 H32 Mn N2 O4
• SMILES: [n]1(ccc(cc1)C)[Mn]12([n]3ccc(cc3)C)(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: 9.5507 ± 0.0019 Å
• b: 17.045 ± 0.003 Å
• c: 9.6962 ± 0.0018 Å
• α: 90°
• β: 110.425 ± 0.018°
• γ: 90°
• Cell volume: 1479.2 ± 0.5 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: 0.0955
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.1943
• Weighted residual factors for all reflections included in the refinement: 0.2106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No