Information card for entry 7010386

Structure parameters

• Formula: C37 H28 Co2 O4 P2
• Calculated formula: C37 H28 Co2 O4 P2
• SMILES: [Co]123([Co]4([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])([CH]2=[C]34c1ccccc1)C#[O])(C#[O])C#[O]
• Title of publication: Structural and electronic variations in cobalt‒alkyne clusters †
• Authors of publication: Snaith, Tom J.; Low, Paul J.; Rousseau, Roger; Puschmann, Horst; Howard, Judith A. K.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 3
• Pages of publication: 292
• a: 39.6115 ± 0.001 Å
• b: 12.2498 ± 0.0003 Å
• c: 14.6354 ± 0.0004 Å
• α: 90°
• β: 92.074 ± 0.002°
• γ: 90°
• Cell volume: 7096.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No