Information card for entry 4346660

Structure parameters

• Formula: C14 H14 Mn2 O8 S2
• Calculated formula: C14 H14 Mn2 O8 S2
• SMILES: C(#[O])[Mn]1(C#[O])([S](CCC)[Mn](C#[O])(C#[O])(C#[O])(C#[O])[S]1CCC)(C#[O])C#[O]
• Title of publication: CORM-EDE1: A Highly Water-Soluble and Nontoxic Manganese-Based photoCORM with a Biogenic Ligand Sphere.
• Authors of publication: Mede, Ralf; Klein, Moritz; Claus, Ralf A.; Krieck, Sven; Quickert, Stefanie; Görls, Helmar; Neugebauer, Ute; Schmitt, Michael; Gessner, Guido; Heinemann, Stefan H.; Popp, Jürgen; Bauer, Michael; Westerhausen, Matthias
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 104 - 113
• a: 8.4275 ± 0.0001 Å
• b: 10.7512 ± 0.0002 Å
• c: 10.5321 ± 0.0002 Å
• α: 90°
• β: 94.714 ± 0.001°
• γ: 90°
• Cell volume: 951.04 ± 0.03 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• 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: 0.016
• Residual factor for significantly intense reflections: 0.0156
• Weighted residual factors for significantly intense reflections: 0.0414
• Weighted residual factors for all reflections included in the refinement: 0.0418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No