Information card for entry 4327650

Structure parameters

• Formula: C22 H16 B2 Co4 F8 O12 S2
• Calculated formula: C22 H4 B2 Co4 F8 O12 S2
• SMILES: [Co]12([Co]3([C]1(C[S+](C)C)=[C]23[C]12[Co]3([Co]1([C]=23C[S+](C)C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Cobalt-Complexed Conjugated Diyne Salts: A Family of Rigid Masked Dielectrophiles. Syntheses, Structures, and Double Nucleophilic Substitutions
• Authors of publication: Hani Amouri; M. Gruselle; C. Da Silva; Bernard Malézieux; Roman Andrés; Jacqueline Vaissermann
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 5053 - 5058
• a: 12.758 ± 0.003 Å
• b: 13.36 ± 0.003 Å
• c: 20.494 ± 0.003 Å
• α: 90°
• β: 91.44 ± 0.01°
• γ: 90°
• Cell volume: 3492 ± 1.2 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.0602
• Weighted residual factors for significantly intense reflections: 0.0714
• Goodness-of-fit parameter for significantly intense reflections: 1.0443
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No