Information card for entry 4311708

Structure parameters

• Formula: C15 H11 I2 Mn N3
• Calculated formula: C15 H11 I2 Mn N3
• SMILES: [Mn]12([n]3c(c4cccc[n]14)cccc3c1cccc[n]21)(I)I
• Title of publication: Structural Characterization and Electronic Properties Determination by High-Field and High-Frequency EPR of a Series of Five-Coordinated Mn(II) Complexes
• Authors of publication: Claire Mantel; Carole Baffert; Isabel Romero; Alain Deronzier; Jacques Pécaut; Marie-Noëlle Collomb; Carole Duboc
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6455 - 6463
• a: 17.43 ± 0.003 Å
• b: 9.8244 ± 0.0015 Å
• c: 11.9284 ± 0.0019 Å
• α: 90°
• β: 125.953 ± 0.002°
• γ: 90°
• Cell volume: 1653.5 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.1096
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.1672
• Weighted residual factors for all reflections included in the refinement: 0.177
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No