Information card for entry 7003657

Structure parameters

• Formula: C24 H51 As N4 Si3 Zr
• Calculated formula: C24 H51 As N4 Si3 Zr
• SMILES: [Zr]123([AsH]c4c(cc(cc4C)C)C)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: 19.072 ± 0.0015 Å
• b: 18.0788 ± 0.0015 Å
• c: 19.3656 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6677.2 ± 0.9 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No