Information card for entry 4332572

Structure parameters

• Formula: C52 H34 Co2 Fe2 N6 Na2 O26
• Calculated formula: C52 H34 Co2 Fe2 N6 Na2 O26
• SMILES: C1(=O)c2cccc3c2[O]2[Co]4567[N](=C3)[N]3=Cc8cccc9C(=O)O[Fe]%10%11%12%13[O](c89)[Co]89%143[N](=Cc3cccc(C(=O)O%12)c3[O]8%13)[N]7=Cc3cccc7C(=O)O[Fe]82(O1)([O]6c1c(C(=O)O8)cccc1C=[N]5[N]9=Cc1cccc(C(=O)O%10)c1[O]%11%14)[O]4c37.C(C)[OH][Na]([OH2])[OH2].C(C)[OH][Na]([OH2])[OH2].O.O
• Title of publication: Heterotopic Helicand for Designing Heterometallic Helicates
• Authors of publication: Cucos, Paula; Pascu, Mirela; Sessoli, Roberta; Avarvari, Narcis; Pointillart, Fabrice; Andruh, Marius
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 18
• Pages of publication: 7035 - 7037
• a: 21.896 Å
• b: 17.306 Å
• c: 17.538 Å
• α: 90°
• β: 123.16°
• γ: 90°
• Cell volume: 5563.43 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1659
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No