Information card for entry 4310900

Structure parameters

• Common name: [Mn(PaPy3)Cl]ClO4.2CH3CN
• Formula: C24 H26 Cl2 Mn N7 O5
• Calculated formula: C24 H26 Cl2 Mn N7 O5
• SMILES: [Mn]1234(Cl)[n]5ccccc5C(=O)N1CC[N]2(Cc1[n]3cccc1)Cc1[n]4cccc1.CC#N.C(#N)C.Cl(=O)(=O)(=O)[O-]
• Title of publication: Reactions of NO with Mn(II) and Mn(III) Centers Coordinated to Carboxamido Nitrogen: Synthesis of a Manganese Nitrosyl with Photolabile NO
• Authors of publication: Kaushik Ghosh; Aura A. Eroy-Reveles; Belem Avila; Theodore R. Holman; Marilyn M. Olmstead; Pradip K. Mascharak
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 2988 - 2997
• a: 8.5142 ± 0.0019 Å
• b: 14.365 ± 0.003 Å
• c: 11.451 ± 0.003 Å
• α: 90°
• β: 99.483 ± 0.006°
• γ: 90°
• Cell volume: 1381.4 ± 0.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0211
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.0565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No