Information card for entry 7029871

Structure parameters

• Chemical name: [di-mu-azido-diazido-bis(N,N?-bis((pyridin-2-yl)methyl)prop-2-yn-1-amine)]dimanganese(II)
• Formula: C32 H38 Mn2 N18 O2
• Calculated formula: C32 H38 Mn2 N18 O2
• SMILES: c1cccc2C[N]3(Cc4cccc[n]4[Mn]43([n]12)(N=N#N)[N](=N#N)[Mn]12([n]3ccccc3C[N]2(Cc2cccc[n]12)CC#C)(N=N#N)[N]4=N#N)CC#C.OC.OC
• 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: 9.0552 ± 0.0002 Å
• b: 10.1744 ± 0.0002 Å
• c: 11.1141 ± 0.0002 Å
• α: 85.55 ± 0.001°
• β: 81.656 ± 0.001°
• γ: 69.687 ± 0.001°
• Cell volume: 949.7 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No