Information card for entry 4081356

Structure parameters

• Formula: C37 H57 N Ni P2
• Calculated formula: C37 H57 N Ni P2
• SMILES: [Ni]12([P](C3CCCCC3)(Cc3n2c(C[P]1(C1CCCCC1)C1CCCCC1)cc3)C1CCCCC1)Cc1ccccc1
• Title of publication: Synthesis, Characterization, and Catalytic Activity of Nickel(II) Alkyl Complexes Supported by Pyrrole‒Diphosphine Ligands
• Authors of publication: Venkanna, Gopaladasu T.; Tammineni, Swetha; Arman, Hadi D.; Tonzetich, Zachary J.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 16
• Pages of publication: 4656
• a: 11.562 ± 0.0009 Å
• b: 17.6183 ± 0.0015 Å
• c: 16.6864 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3399.1 ± 0.5 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No