Information card for entry 4327649

Structure parameters

• Formula: C18 H6 Co4 O14
• Calculated formula: C18 H4.5 Co4 O14
• SMILES: [Co]12([Co]3([C]1(CO)=[C]23[C]12[Co]3([Co]1([C]=23CO)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• 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: 14.559 ± 0.003 Å
• b: 14.571 ± 0.003 Å
• c: 14.722 ± 0.002 Å
• α: 105.17 ± 0.01°
• β: 113.3 ± 0.01°
• γ: 109.61 ± 0.02°
• Cell volume: 2404.9 ± 1.1 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0394
• Goodness-of-fit parameter for significantly intense reflections: 1.0322
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No