Information card for entry 7038638

Structure parameters

• Common name: 14238
• Formula: C64 H52 N4 Ni P4 Ti
• Calculated formula: C64 H52 N4 Ni P4 Ti
• SMILES: [Ti]1234([Ni]([P](c5n1ccc5)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1n2ccc1)[P](c1n3ccc1)(c1ccccc1)c1ccccc1)[P](c1n4ccc1)(c1ccccc1)c1ccccc1
• Title of publication: Structure and bonding of group 4-nickel heterobimetallics supported by 2-(diphenylphosphino)pyrrolide ligands.
• Authors of publication: Dunn, Peter L.; Carlson, Rebecca K.; Gagliardi, Laura; Tonks, Ian A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 24
• Pages of publication: 9892 - 9901
• a: 12.773 ± 0.002 Å
• b: 14.5023 ± 0.0016 Å
• c: 14.5023 ± 0.0016 Å
• α: 93.11°
• β: 92.318 ± 0.001°
• γ: 92.318 ± 0.001°
• Cell volume: 2677.8 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No