Information card for entry 7019198

Structure parameters

• Formula: C69 H100 Co N6 Na O5 P3 Ta
• Calculated formula: C69 H100 Co N6 Na O5 P3 Ta
• SMILES: c1ccc(cc1)[P]1([Co]23([Ta](N1C(C)C)(N(C(C)C)[P]2(c1ccccc1)c1ccccc1)(N(C(C)C)[P]3(c1ccccc1)c1ccccc1)=NC(C)(C)C)[N]#[N][Na]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1)c1ccccc1
• Title of publication: Synthesis and investigation of the metal-metal interactions in early/late heterobimetallic complexes linking group 5 imido fragments to Co(i).
• Authors of publication: Evers, Deirdra A.; Bluestein, Alia H.; Foxman, Bruce M.; Thomas, Christine M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 26
• Pages of publication: 8111 - 8115
• a: 12.8488 ± 0.0003 Å
• b: 12.9768 ± 0.0003 Å
• c: 13.2265 ± 0.0003 Å
• α: 91.961 ± 0.001°
• β: 117.278 ± 0.001°
• γ: 112.849 ± 0.001°
• Cell volume: 1744.62 ± 0.08 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 8
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for all reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9713
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No