Information card for entry 7045586

Structure parameters

• Formula: C27 H39 Cl8 N2 Nb
• Calculated formula: C27 H39 Cl8 N2 Nb
• SMILES: [Nb](Cl)(Cl)(Cl)(Cl)(Cl)[Cl-].C(=[NH+]\c1c(cccc1C(C)C)C(C)C)/C=N/c1c(cccc1C(C)C)C(C)C.C(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: 16.0202 ± 0.0004 Å
• b: 13.0226 ± 0.0003 Å
• c: 17.8448 ± 0.0004 Å
• α: 90°
• β: 113.163 ± 0.001°
• γ: 90°
• Cell volume: 3422.76 ± 0.14 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: 0.0532
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No