Information card for entry 7034949

Structure parameters

• Formula: C27 H14 Br Cl2 Mn N2 O3
• Calculated formula: C27 H14 Br Cl2 Mn N2 O3
• SMILES: Br[Mn]1([N](=C2C(=[N]1c1ccc(Cl)cc1)c1cccc3cccc2c13)c1ccc(Cl)cc1)(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: 11.4714 ± 0.0008 Å
• b: 13.0857 ± 0.001 Å
• c: 16.9748 ± 0.0012 Å
• α: 90°
• β: 92.582 ± 0.001°
• γ: 90°
• Cell volume: 2545.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.0789
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.1835
• Weighted residual factors for all reflections included in the refinement: 0.1858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No