Information card for entry 4335421

Structure parameters

• Formula: C31 H56 As N5 Si3 Zr
• Calculated formula: C31 H56 As N5 Si3 Zr
• SMILES: [Zr]123(N(c4c(C)cc(cc4C)C)C=[As]c4ccccc4)N([Si](C)(C)C)CC[N]2(CCN1[Si](C)(C)C)CCN3[Si](C)(C)C
• Title of publication: Zirconium-Mediated Synthesis of Arsaalkene Compounds from Arsines and Isocyanides
• Authors of publication: Annalese F. Maddox; Jillian J. Davidson; Tamila Shalumova; Joseph M. Tanski; Rory Waterman
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 7811 - 7816
• a: 10.2583 ± 0.0014 Å
• b: 21.351 ± 0.003 Å
• c: 17.623 ± 0.002 Å
• α: 90°
• β: 90.998 ± 0.002°
• γ: 90°
• Cell volume: 3859.3 ± 0.9 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 6
• 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: 0.0522
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No