Information card for entry 7000093

Structure parameters

• Formula: C12 H30 Cl2 Ni P2
• Calculated formula: C12 H30 Cl2 Ni P2
• SMILES: [Ni]([P](CC)(CC)CC)([P](CC)(CC)CC)(Cl)Cl
• Title of publication: Reversal of polarization in amidophosphines: neutral- and anionic-kappaP coordination vs. anionic-kappaP,N coordination and the formation of nickelaazaphosphiranes.
• Authors of publication: Schranz, Ingo; Lief, Graham R.; Carrow, Christopher J.; Haagenson, Dana C.; Grocholl, Luke; Stahl, Lothar; Staples, Richard J.; Boomishankar, Ramamoorthy; Steiner, Alexander
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 20
• Pages of publication: 3307 - 3318
• a: 7.3453 ± 0.001 Å
• b: 11.4847 ± 0.0015 Å
• c: 10.8061 ± 0.0014 Å
• α: 90°
• β: 90.99 ± 0.002°
• γ: 90°
• Cell volume: 911.5 ± 0.2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 0.753
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No