Information card for entry 1551364

Structure parameters

• Formula: C36 H30 Cl2 Co N6 O8
• Calculated formula: C36 H30 Cl2 Co N6 O8
• SMILES: c12[n](cccc1)[Co]13([n]4c(cccc4)C=[N]1c1ccccc1)([n]1c(cccc1)C=[N]3c1ccccc1)[N](=C2)c1ccccc1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Anion-induced reconstitution of a self-assembling system to express a chloride-binding Co10L15 pentagonal prism
• Authors of publication: Imogen A. Riddell; Maarten M. J. Smulders; Jack K. Clegg; Yana R. Hristova; Boris Breiner; John D. Thoburn; Jonathan R. Nitschke
• Journal of publication: Nature Chemistry
• Year of publication: 2012
• Journal volume: 4
• Pages of publication: 751 - 756
• a: 9.757 ± 0.002 Å
• b: 19.778 ± 0.004 Å
• c: 20.491 ± 0.004 Å
• α: 113.73 ± 0.03°
• β: 95.26 ± 0.03°
• γ: 90.27 ± 0.03°
• Cell volume: 3600.9 ± 1.5 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2604
• Residual factor for significantly intense reflections: 0.1614
• Weighted residual factors for significantly intense reflections: 0.4041
• Weighted residual factors for all reflections included in the refinement: 0.4562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.363
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No