Information card for entry 7013726

Structure parameters

• Formula: C81 H67 Co2 N21 Na2 O4 P2
• Calculated formula: C81 H58 Co2 N21 Na2 O4 P2
• SMILES: [Co]1234([n]5c(cccc5c5n1ccn5)c1nccn31)n1c(ncc1)c1cccc(c3nccn23)[n]41.c1(ccccc1)P(=[N+]=P(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Co]1234(n5c(c6cccc(c7nccn17)[n]36)ncc5)n1c(c3cccc(c5nccn25)[n]43)ncc1.[Na+].O.O.O.[Na+].OC
• Title of publication: Redox state switching of transition metals by deprotonation of the tridentate ligand 2,6-bis(imidazol-2-yl)pyridine.
• Authors of publication: Stupka, Gilles; Gremaud, Ludovic; Bernardinelli, Gérald; Williams, Alan F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 3
• Pages of publication: 407 - 412
• a: 12.6715 ± 0.0007 Å
• b: 13.8632 ± 0.0006 Å
• c: 21.7372 ± 0.0015 Å
• α: 90°
• β: 93.896 ± 0.008°
• γ: 90°
• Cell volume: 3809.7 ± 0.4 ų
• Cell temperature: 200 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.66
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No