Information card for entry 7034948

Structure parameters

• Formula: C21 H10 Br Cl Mn N O4
• Calculated formula: C21 H10 Br Cl Mn N O4
• SMILES: Br[Mn]1([N](c2ccc(Cl)cc2)=C2C(=[O]1)c1c3c2cccc3ccc1)(C#[O])(C#[O])C#[O]
• Title of publication: Exceptionally rapid CO release from a manganese(i) tricarbonyl complex derived from bis(4-chloro-phenylimino)acenaphthene upon exposure to visible light.
• Authors of publication: Carrington, Samantha J.; Chakraborty, Indranil; Mascharak, Pradip K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 31
• Pages of publication: 13828 - 13834
• a: 8.099 ± 0.016 Å
• b: 8.497 ± 0.017 Å
• c: 16.14 ± 0.03 Å
• α: 77.34 ± 0.03°
• β: 75.64 ± 0.02°
• γ: 70.47 ± 0.03°
• Cell volume: 1003 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1229
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1616
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No