Information card for entry 7029869

Structure parameters

• Chemical name: [di-mu-bromo-dibromo-bis(N,N-bis((pyridin-2-yl)methyl)prop-2-yn-1-amine)]dimanganese(II)
• Formula: C30 H30 Br4 Mn2 N6
• Calculated formula: C30 H30 Br4 Mn2 N6
• SMILES: [Br]1[Mn]23([n]4ccccc4C[N]3(Cc3cccc[n]23)CC#C)([Br][Mn]231([n]1ccccc1C[N]3(Cc1cccc[n]21)CC#C)Br)Br
• Title of publication: Bioinspired manganese(ii) complexes with a clickable ligand for immobilisation on a solid support.
• Authors of publication: Chaignon, Jérémy; Stiriba, Salah-Eddine; Lloret, Francisco; Yuste, Consuelo; Pilet, Guillaume; Bonneviot, Laurent; Albela, Belén; Castro, Isabel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 25
• Pages of publication: 9704 - 9713
• a: 10.136 ± 0.0004 Å
• b: 17.2803 ± 0.0006 Å
• c: 10.2664 ± 0.0004 Å
• α: 90°
• β: 109.062 ± 0.002°
• γ: 90°
• Cell volume: 1699.59 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No