Information card for entry 7022341

Structure parameters

• Formula: C25 H19 Br Cl2 Mn N5 O3
• Calculated formula: C25 H19 Br Cl2 Mn N5 O3
• SMILES: [Mn]1(Br)([n]2ccccc2C=[N]1c1cccc(c2nnn(c2)Cc2ccccc2)c1)(C#[O])(C#[O])C#[O].C(Cl)Cl
• Title of publication: Schiff plus click: one-pot preparation of triazole-substituted iminopyridines and ring opening of the triazole ring.
• Authors of publication: Álvarez, Celedonio M; García-Escudero, Luis A; García-Rodríguez, Raúl; Miguel, Daniel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 7
• Pages of publication: 2556 - 2561
• a: 28.011 ± 0.016 Å
• b: 12.952 ± 0.007 Å
• c: 15.675 ± 0.008 Å
• α: 90°
• β: 110.314 ± 0.009°
• γ: 90°
• Cell volume: 5333 ± 5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1742
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No