Information card for entry 7107855

Structure parameters

• Chemical name: [K-(2,2,2-crypt)][(As3C2H2)Ru(Me-allyl)2]
• Formula: C28 H52 As3 K N2 O6 Ru
• Calculated formula: C28 H52 As3 K N2 O6 Ru
• SMILES: [As]12[CH]3=[CH]4[As]5=[As]1[Ru]162345([CH2]=[C]1(C6)C)CC(=C)C.[K]1234567[N]89CC[O]2CC[O]3CC[N]1(CC[O]5CC[O]4CC8)CC[O]7CC[O]6CC9
• Title of publication: Synthesis of 1,2,3-tripnictolide anions by reaction of group 15 Zintl ions with acetylene. Isolation of [E/3C/2H/2]^-^ (E = P, As) and preliminary reactivity studies
• Authors of publication: Robert S. P. Turbervill; Jose M. Goicoechea
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 6100
• a: 11.7391 ± 0.0001 Å
• b: 17.4228 ± 0.0001 Å
• c: 18.6466 ± 0.0001 Å
• α: 90°
• β: 107.681 ± 0.001°
• γ: 90°
• Cell volume: 3633.6 ± 0.05 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0185
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections included in the refinement: 0.0498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No