Information card for entry 4344397

Structure parameters

• Formula: C42 H69 Co I N3 P3 Ti
• Calculated formula: C42 H69 Co I N3 P3 Ti
• SMILES: [Co]12([Ti](N(c3cc(C)cc(C)c3)[P]1(C(C)C)C(C)C)(N(c1cc(C)cc(C)c1)[P]2(C(C)C)C(C)C)N(c1cc(C)cc(C)c1)[P](C(C)C)C(C)C)I
• 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: 14.3305 ± 0.0004 Å
• b: 15.8386 ± 0.0005 Å
• c: 40.4713 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9186 ± 0.5 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for all reflections: 0.091
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9695
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No