Information card for entry 1558101

Structure parameters

• Formula: C25 H50 Co Na O5 P4
• Calculated formula: C25 H50 Co Na O5 P4
• SMILES: [Co]123456([c]7([c]3([cH]4[c]5([cH]67)C(C)(C)C)C(C)(C)C)C(C)(C)C)P3P(P2P13)=[O]1[Na]23([O](C)CC[O]2C)([O](C)CC[O]3C)[O]([Na]231([O](C)CC[O]2C)[O](C)CC[O]3C)=P1P2P3P1[Co]123456[c]2([c]1([cH]4[c]5([cH]62)C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Transformations of the cyclo-P4 ligand in [Cp′′′Co(η4-P4)]
• Authors of publication: Piesch, Martin; Seidl, Michael; Scheer, Manfred
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 26
• Pages of publication: 6745 - 6751
• a: 8.8103 ± 0.0003 Å
• b: 10.6602 ± 0.0003 Å
• c: 17.7138 ± 0.0005 Å
• α: 78.926 ± 0.002°
• β: 89.741 ± 0.002°
• γ: 85.158 ± 0.002°
• Cell volume: 1626.75 ± 0.09 ų
• Cell temperature: 123 ± 0.2 K
• Ambient diffraction temperature: 123 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No