Information card for entry 7714688

Structure parameters

• Formula: C27 H24 Br Mn N4 O4
• Calculated formula: C27 H24 Br Mn N4 O4
• SMILES: Br[Mn]1([n]2c3nc(c4nc(ccc4)C)ccc3ccc2c2[n]1c(ccc2)C)(C#[O])(C#[O])C#[O].O1CCCC1
• Title of publication: A one-pot reduction route to bimetallic manganese 1,8-naphthyridine complexes.
• Authors of publication: Stevens, Michael A.; Lim, Li Feng; Pham, Le Nhan; Cox, Nicholas; Coote, Michelle L.; Colebatch, Annie L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 1284 - 1294
• a: 9.0809 ± 0.0007 Å
• b: 11.6416 ± 0.0008 Å
• c: 12.6776 ± 0.0011 Å
• α: 78.587 ± 0.007°
• β: 84.102 ± 0.007°
• γ: 81.662 ± 0.006°
• Cell volume: 1296.04 ± 0.18 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1122
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1744
• Weighted residual factors for all reflections included in the refinement: 0.2031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No