Information card for entry 4320371

Structure parameters

• Formula: C19 H8 Co4 N2 O13
• Calculated formula: C19 H8 Co4 N2 O13
• SMILES: [Co]12([Co]3([CH]1=[C]23CNC(=O)NC[C]12[Co]3([Co]1([CH]=23)(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: 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: 16.8083 ± 0.0016 Å
• b: 16.8083 ± 0.0016 Å
• c: 19.121 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5402 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.1135
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No