Information card for entry 7003658

Structure parameters

• Formula: C27 H49 As N4 Si3 Zr
• Calculated formula: C27 H49 As N4 Si3 Zr
• SMILES: [Zr]123([As](c4ccccc4)c4ccccc4)N([Si](C)(C)C)CC[N]3(CCN1[Si](C)(C)C)CCN2[Si](C)(C)C
• Title of publication: Mechanistic variety in zirconium-catalyzed bond-forming reaction of arsines
• Authors of publication: Roering, Andrew J.; Davidson, Jillian J.; MacMillan, Samantha N.; Tanski, Joseph M.; Waterman, Rory
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 33
• Pages of publication: 4488 - 4498
• a: 10.815 ± 0.003 Å
• b: 16.799 ± 0.004 Å
• c: 19.28 ± 0.005 Å
• α: 90°
• β: 102.249 ± 0.004°
• γ: 90°
• Cell volume: 3423.1 ± 1.5 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: 0.0376
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No