Information card for entry 7210374

Structure parameters

• Chemical name: cis-bis(benzoylacetonato)bis(2-aminopyridine)manganese(II)
• Formula: C30 H30 Mn N4 O4
• Calculated formula: C30 H30 Mn N4 O4
• SMILES: [Mn]12([O]=C(C=C(O2)C)c2ccccc2)([O]=C(C=C(O1)C)c1ccccc1)([n]1c(cccc1)N)[n]1ccccc1N
• 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: 9.0001 ± 0.0007 Å
• b: 12.7277 ± 0.001 Å
• c: 14.1367 ± 0.0014 Å
• α: 66.042 ± 0.009°
• β: 76.101 ± 0.007°
• γ: 73.393 ± 0.007°
• Cell volume: 1403.8 ± 0.2 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: 0.0908
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 0.731
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No