Information card for entry 4344395

Structure parameters

• Formula: C42 H69 Cl N3 P3 Ti
• Calculated formula: C42 H69 Cl N3 P3 Ti
• SMILES: [Ti](Cl)(N(c1cc(C)cc(C)c1)P(C(C)C)C(C)C)(N(c1cc(C)cc(C)c1)P(C(C)C)C(C)C)N(c1cc(C)cc(C)c1)P(C(C)C)C(C)C
• 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: 16.8643 ± 0.0008 Å
• b: 14.518 ± 0.0007 Å
• c: 17.9633 ± 0.001 Å
• α: 90°
• β: 96.497 ± 0.003°
• γ: 90°
• Cell volume: 4369.8 ± 0.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• 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: 0.0433
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for all reflections: 0.0865
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0306
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No