Information card for entry 7038637

Structure parameters

• Formula: C64 H52 Hf N4 P4
• Calculated formula: C64 H52 Hf N4 P4
• SMILES: [Hf]1234([P](c5ccccc5)(c5ccccc5)c5cccn15)([P](c1n2ccc1)(c1ccccc1)c1ccccc1)([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: 9.7556 ± 0.0011 Å
• b: 16.9397 ± 0.0019 Å
• c: 21.12 ± 0.003 Å
• α: 106.175 ± 0.002°
• β: 103.058 ± 0.001°
• γ: 93.195 ± 0.001°
• Cell volume: 3239 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No