Information card for entry 4314777

Structure parameters

• Formula: C20 H38 N13 Nb3 O5.5 S9
• Calculated formula: C20 H33 N13 Nb3 O5.5 S9
• Title of publication: Organometallic Trinuclear Niobium Cluster Complex in Aqueous Solution: Synthesis and Characterization of Niobium Complexes Containing Nb3(μ-η2:η2(perp.)-NCCH3)(μ2-O)36+ Cluster Core
• Authors of publication: Hans Arni Nybo Joensen; Gro Kallehave Hansson; Svetlana G. Kozlova; Artem L. Gushchin; Inger Søtofte; Bee-Lean Ooi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 1720 - 1727
• a: 13.2686 ± 0.0018 Å
• b: 13.943 ± 0.002 Å
• c: 17.524 ± 0.002 Å
• α: 74.754 ± 0.003°
• β: 86.141 ± 0.003°
• γ: 62.668 ± 0.003°
• Cell volume: 2773.3 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1543
• Residual factor for significantly intense reflections: 0.0933
• Weighted residual factors for significantly intense reflections: 0.2582
• Weighted residual factors for all reflections included in the refinement: 0.3041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No