Information card for entry 7041756

Structure parameters

• Formula: C15 H15 Mn N4 O5
• Calculated formula: C15 H15 Mn N4 O5
• SMILES: [Mn]12(OC(=O)C(n3[n]1c(cc3C)C)n1[n]2c(cc1C)C)(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis and solution stability of water-soluble κ(2)N,κO-bis(3,5-dimethylpyrazolyl)ethanol manganese(i) tricarbonyl bromide (CORM-ONN1).
• Authors of publication: Mede, Ralf; Traber, Juliane; Klein, Moritz; Görls, Helmar; Gessner, Guido; Hoffmann, Patrick; Schmitt, Michael; Popp, Jürgen; Heinemann, Stefan H.; Neugebauer, Ute; Westerhausen, Matthias
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 5
• Pages of publication: 1684 - 1693
• a: 8.1397 ± 0.0002 Å
• b: 10.3669 ± 0.0003 Å
• c: 10.7821 ± 0.0002 Å
• α: 103.904 ± 0.002°
• β: 111.361 ± 0.001°
• γ: 91.846 ± 0.001°
• Cell volume: 815.26 ± 0.04 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 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: 0.0268
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No