Information card for entry 1520056

Structure parameters

• Common name: Complex6
• Formula: C31.5 H48 Cl4 N6 Nb2 O2
• Calculated formula: C31.5 H48 Cl4 N6 Nb2 O2
• 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: 8.4679 ± 0.0005 Å
• b: 15.5173 ± 0.0009 Å
• c: 15.6028 ± 0.0009 Å
• α: 90.009 ± 0.004°
• β: 92.687 ± 0.004°
• γ: 92.922 ± 0.004°
• Cell volume: 2045.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.108
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1603
• Weighted residual factors for all reflections included in the refinement: 0.1894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No