Information card for entry 4343501

Structure parameters

• Common name: TiCoLiPr
• Formula: C39 H60 Co N4 P3 Ti
• Calculated formula: C39 H60 Co N4 P3 Ti
• SMILES: [Co]123[Ti]456N(c7c([N]6(c6ccccc6N4C[P]2(C(C)C)C(C)C)c2ccccc2N5C[P]3(C(C)C)C(C)C)cccc7)C[P]1(C(C)C)C(C)C
• Title of publication: Bimetallic Cobalt-Dinitrogen Complexes: Impact of the Supporting Metal on N2 Activation.
• Authors of publication: Clouston, Laura J.; Bernales, Varinia; Carlson, Rebecca K.; Gagliardi, Laura; Lu, Connie C.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 19
• Pages of publication: 9263 - 9270
• a: 13.5781 ± 0.0018 Å
• b: 13.945 ± 0.0018 Å
• c: 20.821 ± 0.003 Å
• α: 90°
• β: 94.25 ± 0.002°
• γ: 90°
• Cell volume: 3931.5 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1001
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No