Information card for entry 7045589

Structure parameters

• Formula: C27 H37 Cl10 N2 Ta
• Calculated formula: C27 H37 Cl10 N2 Ta
• SMILES: [Ta](Cl)(Cl)(Cl)(Cl)(Cl)[Cl-].[NH+](=C\C=N\c1c(cccc1C(C)C)C(C)C)/c1c(cccc1C(C)C)C(C)C.C(Cl)(Cl)(Cl)Cl
• Title of publication: Stable coordination complexes of α-diimines with Nb(v) and Ta(v) halides.
• Authors of publication: Bartalucci, Niccolò; Bortoluzzi, Marco; Pampaloni, Guido; Pinzino, Calogero; Zacchini, Stefano; Marchetti, Fabio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 10
• Pages of publication: 3346 - 3355
• a: 9.9501 ± 0.0004 Å
• b: 19.2803 ± 0.0007 Å
• c: 18.9646 ± 0.0007 Å
• α: 90°
• β: 97.508 ± 0.003°
• γ: 90°
• Cell volume: 3607 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1576
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.1654
• Weighted residual factors for all reflections included in the refinement: 0.2077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No