Information card for entry 7028833

Structure parameters

• Common name: [[Mn(dpaqNO2)(NO)]ClO4
• Formula: C25 H22 Cl Mn N8 O8
• Calculated formula: C25 H22 Cl Mn N8 O8
• SMILES: [Mn]1234([n]5cccc6c(ccc(c56)N3C(=O)C[N]4(Cc3[n]1cccc3)Cc1[n]2cccc1)N(=O)=O)N=O.Cl(=O)(=O)(=O)[O-].CC#N
• Title of publication: Electronic tuning of nitric oxide release from manganese nitrosyl complexes by visible light irradiation: enhancement of nitric oxide release efficiency by the nitro-substituted quinoline ligand.
• Authors of publication: Hitomi, Yutaka; Iwamoto, Yuji; Kodera, Masahito
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 5
• Pages of publication: 2161 - 2167
• a: 8.5024 ± 0.0001 Å
• b: 7.2987 ± 0.0001 Å
• c: 21.7032 ± 0.0005 Å
• α: 90°
• β: 98.8707 ± 0.0011°
• γ: 90°
• Cell volume: 1330.71 ± 0.04 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No