Information card for entry 7029868

Structure parameters

• Formula: C30 H30 Cl4 Mn2 N6
• Calculated formula: C30 H30 Cl4 Mn2 N6
• SMILES: c1cccc2C[N]3(Cc4[n](cccc4)[Mn]43([n]12)(Cl)[Cl][Mn]12([n]3ccccc3C[N]2(CC#C)Cc2[n]1cccc2)([Cl]4)Cl)CC#C
• 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: 9.9301 ± 0.0013 Å
• b: 17.06 ± 0.002 Å
• c: 10.008 ± 0.002 Å
• α: 90°
• β: 109.004 ± 0.018°
• γ: 90°
• Cell volume: 1603 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0709
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections: 0.0874
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9233
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No