Information card for entry 7210373

Structure parameters

• Chemical name: cis-bis(Benzoylacetonato)bis(2-amino-5-methylpyridine)manganese(II)
• Formula: C32 H34 Mn N4 O4
• Calculated formula: C32 H34 Mn N4 O4
• SMILES: [Mn]12([O]=C(c3ccccc3)C=C(O1)C)([O]=C(c1ccccc1)C=C(O2)C)([n]1cc(ccc1N)C)[n]1cc(ccc1N)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: 10.161 ± 0.0004 Å
• b: 12.6475 ± 0.0005 Å
• c: 12.9842 ± 0.0006 Å
• α: 85.849 ± 0.004°
• β: 73.618 ± 0.004°
• γ: 74.865 ± 0.004°
• Cell volume: 1545.34 ± 0.12 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0769
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1495
• Weighted residual factors for all reflections included in the refinement: 0.1567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No