Information card for entry 7103060

Structure parameters

• Formula: C13 H10 F6 Mn N6 O3 P
• Calculated formula: C13 H10 F6 Mn N6 O3 P
• SMILES: [Mn]12([n]3[n](ccc3)C([n]3[n]1ccc3)[n]1[n]2ccc1)(C#[O])(C#[O])C#[O].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Photoinduced CO release, cellular uptake and cytotoxicity of a tris(pyrazolyl)methane (tpm) manganese tricarbonyl complex.
• Authors of publication: Niesel, Johanna; Pinto, Antonio; Peindy N'Dongo, Harmel W; Merz, Klaus; Ott, Ingo; Gust, Ronald; Schatzschneider, Ulrich
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 15
• Pages of publication: 1798 - 1800
• a: 26.669 ± 0.005 Å
• b: 11.855 ± 0.003 Å
• c: 12.869 ± 0.003 Å
• α: 90°
• β: 118.006 ± 0.005°
• γ: 90°
• Cell volume: 3592.3 ± 1.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No