Information card for entry 7019195

Structure parameters

• Formula: C63 H76 Co I N4 Nb P3
• Calculated formula: C63 H76 Co I N4 Nb P3
• SMILES: [Nb]12(N(C(C)C)[P](c3ccccc3)(c3ccccc3)[Co](I)([P](N1C(C)C)(c1ccccc1)c1ccccc1)[P](N2C(C)C)(c1ccccc1)c1ccccc1)=NC(C)(C)C.Cc1ccccc1.Cc1ccccc1
• 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: 13.1155 ± 0.0004 Å
• b: 18.2831 ± 0.0006 Å
• c: 25.2678 ± 0.0008 Å
• α: 90°
• β: 95.274 ± 0.002°
• γ: 90°
• Cell volume: 6033.4 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for all reflections: 0.0992
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No