Information card for entry 1519231

Structure parameters

• Formula: C36 H27 Co3 O9 P2
• Calculated formula: C36 H27 Co3 O9 P2
• SMILES: [Co]12([Co]3([Co]1([PH](c1ccccc1)c1ccccc1)(C23C(=O)OCC=C)(C#[O])C#[O])(C#[O])(C#[O])C#[O])([PH](c1ccccc1)c1ccccc1)(C#[O])C#[O]
• Title of publication: C72H54Co6O18P4
• Authors of publication: Morley, Christopher P.; Light, Mark E.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 1999
• Pages of publication: 729
• a: 13.1462 ± 0.0003 Å
• b: 14.358 ± 0.0002 Å
• c: 19.1176 ± 0.0004 Å
• α: 89.332 ± 0.001°
• β: 81.509 ± 0.001°
• γ: 84.008 ± 0.001°
• Cell volume: 3549.43 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No