Information card for entry 7105818

Structure parameters

• Formula: C48 H66 Co4 N10 O34
• Calculated formula: C48 H66 Co4 N10 O34
• SMILES: C12=CC3=[O]4[Co]567([O]1[Co]1([OH2])([OH]C)([n]8ccccc28)[O]7C(c2[n]5c(C5=CC7c8cccc[n]8[Co]89([O]=7[Co]74([n]4c3cccc4C([O]87)=CC(=[O]9)c3ncccc3)([O]65)([OH2])[OH2])([OH2])[OH]C)ccc2)=CC(=[O]1)c1ncccc1)([OH2])[OH2].N(=O)(=O)[O-].N(=O)(=O)[O-].CO.CO.O.N(=O)(=O)[O-].N(=O)(=O)[O-].CO.CO.O
• Title of publication: Molecular assembly of two [Co(II)4] linear arrays
• Authors of publication: David Aguila; Leoni Barrios; Olivier Roubeau; Simon Teat; Guillem Aromi
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 707
• a: 10.5822 ± 0.0007 Å
• b: 12.3023 ± 0.0008 Å
• c: 13.8898 ± 0.001 Å
• α: 64.445 ± 0.001°
• β: 89.446 ± 0.001°
• γ: 72.167 ± 0.001°
• Cell volume: 1537.11 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0394
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No