Information card for entry 4067812

Structure parameters

• Formula: C52 H80 N4 Ni P4
• Calculated formula: C52 H80 N4 Ni P4
• SMILES: [Ni]12([P]3(C(C)(C)C)CN(Cc4ccccc4)C[P]1(CN(Cc1ccccc1)C3)C(C)(C)C)[P]1(C(C)(C)C)CN(Cc3ccccc3)C[P]2(CN(Cc2ccccc2)C1)C(C)(C)C
• Title of publication: Stabilization of Nickel Complexes with Ni0···H–N Bonding Interactions Using Sterically Demanding Cyclic Diphosphine Ligands
• Authors of publication: Wiedner, Eric S.; Yang, Jenny Y.; Chen, Shentan; Raugei, Simone; Dougherty, William G.; Kassel, W. Scott; Helm, Monte L.; Bullock, R. Morris; Rakowski DuBois, M.; DuBois, Daniel L.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 1
• Pages of publication: 144
• a: 38.5337 ± 0.0007 Å
• b: 12.8379 ± 0.0002 Å
• c: 20.9599 ± 0.0004 Å
• α: 90°
• β: 97.235 ± 0.001°
• γ: 90°
• Cell volume: 10286.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2493
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No