Information card for entry 4318871

Structure parameters

• Formula: C68 H74 Cl4 Nb2 O6
• Calculated formula: C68 H74 Cl4 Nb2 O6
• SMILES: [Nb]123(Cl)(Cl)Oc4c(cc(cc4Cc4c5[O]1[Nb]1(Cl)(Cl)(Oc6c(Cc5cc(c4)C)cc(cc6)C)Oc4c(cc(cc4Cc4c([O]21)c(cc(c4)C)Cc1c(O3)ccc(c1)C)C)C(C)(C)C)C)C(C)(C)C.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: Synthesis and Structures of Niobium(V) Complexes Stabilized by Linear-Linked Aryloxide Trimers
• Authors of publication: Tsukasa Matsuo; Hiroyuki Kawaguchi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 6090 - 6098
• a: 10.607 ± 0.003 Å
• b: 14.566 ± 0.004 Å
• c: 21.501 ± 0.006 Å
• α: 85.513 ± 0.009°
• β: 89.343 ± 0.009°
• γ: 71.501 ± 0.005°
• Cell volume: 3140.3 ± 1.5 ų
• Cell temperature: 173.2 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 significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No