Information card for entry 7039897

Structure parameters

• Chemical name: [MnBr(CO)3(QTAm)]
• Formula: C20 H19 Br Mn N5 O3
• Calculated formula: C20 H19 Br Mn N5 O3
• SMILES: Br[Mn]1([N](C23CN4CN(C3)CN(C2)C4)=Cc2[n]1c1c(cccc1)cc2)(C#[O])(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: 8.788 ± 0.005 Å
• b: 10.438 ± 0.005 Å
• c: 12.643 ± 0.003 Å
• α: 104.88 ± 0.02°
• β: 105.15 ± 0.03°
• γ: 103.47 ± 0.06°
• Cell volume: 1024.4 ± 0.9 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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: 0.0716
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 0.895
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No