Information card for entry 4081353

Structure parameters

• Formula: C30 H50 Cl N Ni P2
• Calculated formula: C30 H50 Cl N Ni P2
• SMILES: [Ni]12([P](C3CCCCC3)(C3CCCCC3)Cc3n2c(C[P]1(C1CCCCC1)C1CCCCC1)cc3)Cl
• 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: 10.22 ± 0.003 Å
• b: 18.392 ± 0.005 Å
• c: 15.764 ± 0.004 Å
• α: 90°
• β: 90.687 ± 0.005°
• γ: 90°
• Cell volume: 2962.9 ± 1.4 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 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: 0.0525
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No