Information card for entry 4320372

Structure parameters

• Formula: C12 H5 Co3 O9
• Calculated formula: C12 H5 Co3 O9
• SMILES: [Co]12([Co]3([Co]1(C#[O])(C#[O])(C#[O])C23CC)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Linking Two Alkyne-Bridged Dicobalt Complexes via a Urea-Based Ligand: Synthesis and Spectroscopic and Structural Characterization of {[Co2(CO)6(μ-HC\τbC-)]-CH2NH}2CO
• Authors of publication: Fung-E Hong; Yu-Tain Tsai; Chang; Bao-Tsan Ko
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 5487 - 5488
• a: 7.973 ± 0.005 Å
• b: 25.88 ± 0.017 Å
• c: 8.781 ± 0.006 Å
• α: 90°
• β: 112.196 ± 0.013°
• γ: 90°
• Cell volume: 1677.6 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2101
• Residual factor for significantly intense reflections: 0.105
• Weighted residual factors for significantly intense reflections: 0.2159
• Weighted residual factors for all reflections included in the refinement: 0.283
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No