Information card for entry 4303220

Structure parameters

• Formula: C26 H23 Cl2 Mn N6 O9
• Calculated formula: C26 H26 Cl2 Mn N7 O9
• SMILES: [Mn]1234(N=O)[N](=Cc5[n]3c3c(cccc3)cc5)CC[N]2(Cc2[n]4cccc2)Cc2[n]1cccc2.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].N#CC
• Title of publication: Syntheses, Structures, and Photochemistry of Manganese Nitrosyls Derived from Designed Schiff Base Ligands: Potential NO Donors That Can Be Activated by Near-Infrared Light
• Authors of publication: C. Gianna Hoffman-Luca; Aura A. Eroy-Reveles; Jose Alvarenga; Pradip K. Mascharak
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 9104 - 9111
• a: 9.8171 ± 0.001 Å
• b: 12.3651 ± 0.0013 Å
• c: 12.5948 ± 0.0013 Å
• α: 95.351 ± 0.002°
• β: 96.736 ± 0.001°
• γ: 99.306 ± 0.002°
• Cell volume: 1488.5 ± 0.3 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: 0.097
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1454
• Weighted residual factors for all reflections included in the refinement: 0.169
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No