Information card for entry 7000098

Structure parameters

• Formula: C32 H67 N6 Ni P3 Si2
• Calculated formula: C32 H67 N6 Ni P3 Si2
• SMILES: [Ni]12([P]3(N(C(C)(C)C)[Si](N3C(C)(C)C)(C)C)N2c2ccccc2N=P21N(C(C)(C)C)[Si](N2C(C)(C)C)(C)C)[P](CC)(CC)CC
• 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: 11.4153 ± 0.0015 Å
• b: 12.2457 ± 0.0016 Å
• c: 16.145 ± 0.002 Å
• α: 79.259 ± 0.002°
• β: 79.351 ± 0.002°
• γ: 69.353 ± 0.002°
• Cell volume: 2057.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No