Information card for entry 4344396

Structure parameters

• Formula: C46 H79 Cl Co I N3 O P3 Ti
• Calculated formula: C46 H79 Cl Co I N3 O P3 Ti
• SMILES: [Co]123([Ti]([Cl]1)(N(c1cc(C)cc(C)c1)[P]2(C(C)C)C(C)C)(N(c1cc(C)cc(C)c1)[P]3(C(C)C)C(C)C)N(c1cc(C)cc(C)c1)P(C(C)C)C(C)C)I.O(CC)CC
• Title of publication: Heterobimetallic Ti/Co Complexes That Promote Catalytic N-N Bond Cleavage.
• Authors of publication: Wu, Bing; Gramigna, Kathryn M.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 22
• Pages of publication: 10909 - 10917
• a: 17.9767 ± 0.0014 Å
• b: 19.8816 ± 0.0015 Å
• c: 15.0906 ± 0.001 Å
• α: 90°
• β: 96.866 ± 0.003°
• γ: 90°
• Cell volume: 5354.8 ± 0.7 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 9
• 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: 0.0368
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for all reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9887
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No