Information card for entry 7029870

Structure parameters

• Formula: C28 H32 Mn2 N22
• Calculated formula: C28 H32 Mn2 N20
• SMILES: c1cccc2C[N]3(CC#C)Cc4[n](ccn4C)[Mn]43([n]12)(N=N#N)[N](=N#N)[Mn]12([n]3ccccc3C[N]2(CC#C)Cc2[n]1ccn2C)(N=N#N)[N]4=N#N
• 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: 10.2568 ± 0.0003 Å
• b: 18.4512 ± 0.0006 Å
• c: 18.6889 ± 0.0006 Å
• α: 90°
• β: 95.592 ± 0.003°
• γ: 90°
• Cell volume: 3520.05 ± 0.19 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• 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: 0.0462
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for all reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0365
• Weighted residual factors for all reflections included in the refinement: 0.0353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0832
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No