Information card for entry 7705272

Structure parameters

• Chemical name: Co3Se(PPh2)(CO)4(Ph2PNHiPr)3
• Formula: C65 H74 Co3 N3 O5 P4 Se
• Calculated formula: C65 H74 Co3 N3 O5 P4 Se
• SMILES: C(C)(C)N[P](c1ccccc1)(c1ccccc1)[Co]12(C#[O])(C#[O])[Co]34(C#[O])([P](c5ccccc5)(c5ccccc5)NC(C)C)[P](c5ccccc5)(c5ccccc5)[Co]13(C#[O])([P](c1ccccc1)(c1ccccc1)NC(C)C)[Se]24.CCOCC
• Title of publication: Inorganic clusters as metalloligands: ligand effects on the synthesis and properties of ternary nanopropeller clusters.
• Authors of publication: Kephart, Jonathan A.; Boggiano, Andrew C.; Kaminsky, Werner; Velian, Alexandra
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 45
• Pages of publication: 16464 - 16473
• a: 10.968 ± 0.002 Å
• b: 11.693 ± 0.003 Å
• c: 25.67 ± 0.005 Å
• α: 85.582 ± 0.011°
• β: 78.46 ± 0.011°
• γ: 81.148 ± 0.011°
• Cell volume: 3183.5 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No