Information card for entry 7039895

Structure parameters

• Chemical name: [MnBr(CO)3(adamant)]
• Formula: C19 H20 Br Mn N2 O3
• Calculated formula: C19 H20 Br Mn N2 O3
• SMILES: Br[Mn]1(C#[O])([N](=Cc2[n]1cccc2)C12CC3CC(C1)CC(C3)C2)(C#[O])C#[O]
• Title of publication: Light-triggered CO delivery by a water-soluble and biocompatible manganese photoCORM.
• Authors of publication: Jimenez, Jorge; Chakraborty, Indranil; Carrington, Samantha J.; Mascharak, Pradip K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 33
• Pages of publication: 13204 - 13213
• a: 15.428 ± 0.003 Å
• b: 7.2853 ± 0.0015 Å
• c: 18.627 ± 0.004 Å
• α: 90°
• β: 113.986 ± 0.002°
• γ: 90°
• Cell volume: 1912.8 ± 0.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1759
• Weighted residual factors for all reflections included in the refinement: 0.1794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.388
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No