Information card for entry 7107899

Structure parameters

• Formula: C95 H144 K N O12 Si Ta2
• Calculated formula: C95 H144 K N O12 Si Ta2
• SMILES: [Ta]12345([H][Ta]67(=N[Si](C)(C)C)([H]1)Oc1c(cc(cc1Cc1c([O]56)c(cc(c1)C(C)(C)C)Cc1c(O7)c(cc(c1)C)C(C)(C)C)C)C(C)(C)C)Oc1c(cc(cc1[C@H]2c1cc(cc(c1O3)Cc1c(O4)c(cc(c1)C)C(C)(C)C)C(C)(C)C)C)C(C)(C)C.[K]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Multielectron reduction of diazoalkane and azides via reversible cyclometalation in ditantalum complexes
• Authors of publication: Takashi Kurogi; Yutaka Ishida; Tsubasa Hatanaka; Hiroyuki Kawaguchi
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 6809
• a: 14.635 ± 0.002 Å
• b: 17.948 ± 0.003 Å
• c: 35.657 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9366 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No