Information card for entry 7210372

Structure parameters

• Chemical name: Bis(benzoylacetonato)bis(2-amino-5-methylpyridine)manganese(II)
• Formula: C32 H34 Mn N4 O4
• Calculated formula: C32 H34 Mn N4 O4
• SMILES: CC1=CC(c2ccccc2)=[O][Mn]2([n]3cc(ccc3N)C)(O1)([n]1cc(ccc1N)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: 7.3129 ± 0.0016 Å
• b: 8.752 ± 0.002 Å
• c: 24.543 ± 0.007 Å
• α: 90°
• β: 90.83 ± 0.02°
• γ: 90°
• Cell volume: 1570.6 ± 0.7 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: 0.0963
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 0.832
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No