Information card for entry 7015819

Structure parameters

• Formula: C8 H6 Mn N O6 S2
• Calculated formula: C8 H6 Mn N O6 S2
• SMILES: [Mn]1([S]=C(S1)N(CC(=O)O)C)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: [Mn(CO)4{S2CNMe(CH2CO2H)}], a new water-soluble CO-releasing molecule.
• Authors of publication: Crook, Sian H.; Mann, Brian E.; Meijer, Anthony J. H. M.; Adams, Harry; Sawle, Philip; Scapens, David; Motterlini, Roberto
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 16
• Pages of publication: 4230 - 4235
• a: 7.355 ± 0.006 Å
• b: 9.402 ± 0.008 Å
• c: 18.73 ± 0.016 Å
• α: 98.396 ± 0.014°
• β: 99.584 ± 0.012°
• γ: 92.488 ± 0.013°
• Cell volume: 1260.4 ± 1.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0847
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1622
• Weighted residual factors for all reflections included in the refinement: 0.1743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No