Information card for entry 1520055

Structure parameters

• Common name: Complex4
• Formula: C23 H33 Cl4 N5 Nb2
• Calculated formula: C23 H33 Cl4 N5 Nb2
• SMILES: [Nb]123([Nb]([Cl]1)(Cl)(Cl)(N2C(C)(C)C)(N3C(C)(C)C)[n]1ccccc1)(Cl)([n]1ccccc1)[n]1ccccc1
• Title of publication: Reduction of ((t)BuN═)NbCl3(py)2 in a Salt-Free Manner for Generating Nb(IV) Dinuclear Complexes and Their Reactivity toward Benzo[c]cinnoline.
• Authors of publication: Saito, Teruhiko; Nishiyama, Haruka; Kawakita, Kento; Nechayev, Michael; Kriegel, Benjamin; Tsurugi, Hayato; Arnold, John; Mashima, Kazushi
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 6004 - 6009
• a: 8.5962 ± 0.0012 Å
• b: 11.0422 ± 0.0016 Å
• c: 15.754 ± 0.002 Å
• α: 87.369 ± 0.006°
• β: 83.921 ± 0.006°
• γ: 77.279 ± 0.006°
• Cell volume: 1450.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0225
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 0.901
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No