Information card for entry 7111253

Structure parameters

• Formula: C24 H18 Br Co2 K O8
• Calculated formula: C24 H18 Br Co2 K O8
• SMILES: [cH]12[cH]3[Co]4567892([cH]([cH]39)[c]14C(=O)[O-])[cH]1[c]8([cH]7[cH]6[cH]51)C(=O)O.[K+].[Br-].[cH]12[cH]3[cH]4[cH]5[c]1(C(=O)[O-])[Co]16782345[cH]2[c]8([cH]7[cH]6[cH]12)C(=O)O
• Title of publication: Unexpected solid???solid reaction upon preparation of KBr pellets and its exploitation in supramolecular cation complexation
• Authors of publication: Braga, Dario; Maini, Lucia; Polito, Marco; Grepioni, Fabrizia
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 20
• Pages of publication: 2302
• a: 5.985 ± 0.001 Å
• b: 8.096 ± 0.002 Å
• c: 12.614 ± 0.002 Å
• α: 78.28 ± 0.02°
• β: 80.15 ± 0.02°
• γ: 73.62 ± 0.02°
• Cell volume: 569.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.048
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No