Information card for entry 4331154

Structure parameters

• Formula: C31 H29 N Ni P2
• Calculated formula: C31 H29 N Ni P2
• SMILES: [Ni]12([P](Cc3n2c(cc3)C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C
• Title of publication: Nickel(II) Complexes Containing a Pyrrole-Diphosphine Pincer Ligand
• Authors of publication: Gopaladasu T. Venkanna; Teresa Virginia M. Ramos; Hadi D. Arman; Zachary J. Tonzetich
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 12789 - 12795
• a: 14.2607 ± 0.0019 Å
• b: 16.269 ± 0.002 Å
• c: 11.528 ± 0.002 Å
• α: 90°
• β: 106.917 ± 0.008°
• γ: 90°
• Cell volume: 2558.8 ± 0.7 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 5
• 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: 0.0321
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No