Information card for entry 7107900

Structure parameters

• Formula: C90.5 H145 K N2 O8 Si2 Ta2
• Calculated formula: C88 H139 K N2 O8 Si2 Ta2
• SMILES: [Ta]1234([H][Ta]56(N2[Si](C)(C)C)([O]4c2c4Cc7cc(cc(c7[O]1[K]1([O]3c3c(cc(cc3Cc2cc(c4)C(C)(C)C)C)C(C)(C)C)[O](C)CC[O]1C)C(C)(C)C)C)Oc1c(cc(cc1Cc1c(O6)c(cc(c1)C(C)(C)C)Cc1c(O5)c(cc(c1)C)C(C)(C)C)C)C(C)(C)C)=N[Si](C)(C)C.CCCCC.CCCCC
• 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: 14.4755 ± 0.001 Å
• b: 30.724 ± 0.002 Å
• c: 22.0497 ± 0.0012 Å
• α: 90°
• β: 94.99 ± 0.003°
• γ: 90°
• Cell volume: 9769.3 ± 1.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.1004
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.1745
• Weighted residual factors for all reflections included in the refinement: 0.1925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No