Information card for entry 4349435

Structure parameters

• Formula: C25 H16 Fe Mn N O4
• Calculated formula: C25 H16 Fe Mn N O4
• SMILES: c1cccc2c3ccc(cc3[Mn](C#[O])(C#[O])(C#[O])(C#[O])[n]12)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82
• Title of publication: Redox-Tagged Carbon Monoxide-Releasing Molecules (CORMs): Ferrocene-Containing [Mn(C^N)(CO)₄] Complexes as a Promising New CORM Class.
• Authors of publication: Aucott, Benjamin J.; Ward, Jonathan S.; Andrew, Samuel G.; Milani, Jessica; Whitwood, Adrian C.; Lynam, Jason M.; Parkin, Alison; Fairlamb, Ian J. S.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 9
• Pages of publication: 5431 - 5440
• a: 7.18991 ± 0.00017 Å
• b: 20.2412 ± 0.0006 Å
• c: 14.1249 ± 0.0003 Å
• α: 90°
• β: 93.049 ± 0.002°
• γ: 90°
• Cell volume: 2052.72 ± 0.09 ų
• Cell temperature: 111 ± 1 K
• Ambient diffraction temperature: 111 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No