Information card for entry 7020103

Structure parameters

• Formula: C18 H12 Mn N O7
• Calculated formula: C18 H12 Mn N O7
• SMILES: C([Mn]1(C#[O])(C#[O])(C#[O])c2cc(ccc2c2cccc[n]12)OCC(=O)OC)#[O]
• Title of publication: A therapeutically viable photo-activated manganese-based CO-releasing molecule (photo-CO-RM).
• Authors of publication: Ward, Jonathan S.; Lynam, Jason M.; Moir, James W. B.; Sanin, David E.; Mountford, Adrian P.; Fairlamb, Ian J. S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 35
• Pages of publication: 10514 - 10517
• a: 7 ± 0.0004 Å
• b: 11.2458 ± 0.0006 Å
• c: 12.1356 ± 0.0008 Å
• α: 67.181 ± 0.006°
• β: 83.042 ± 0.005°
• γ: 86.381 ± 0.004°
• Cell volume: 873.93 ± 0.1 ų
• Cell temperature: 110 ± 0.1 K
• Ambient diffraction temperature: 110 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No