Information card for entry 4335423

Structure parameters

• Formula: C35 H56 As N5 Si3 Zr
• Calculated formula: C35 H56 As N5 Si3 Zr
• SMILES: [Zr]1234(N([Si](C)(C)C)CC[N]3(CCN1[Si](C)(C)C)CCN2[Si](C)(C)C)[N](=C4[As](c1ccccc1)c1ccccc1)Cc1ccccc1
• 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: 11.3035 ± 0.0005 Å
• b: 19.5564 ± 0.0009 Å
• c: 19.086 ± 0.0009 Å
• α: 90°
• β: 106.078 ± 0.001°
• γ: 90°
• Cell volume: 4054 ± 0.3 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: 0.0408
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No