Information card for entry 7024384

Structure parameters

• Common name: Pentachloro(dimethylselenide-Se)niobium(V)
• Chemical name: Pentachloro(dimethylselenide-Se)niobium(V)
• Formula: C2 H6 Cl5 Nb Se
• Calculated formula: C2 H6 Cl5 Nb Se
• SMILES: Cl[Nb](Cl)(Cl)([Se](C)C)(Cl)Cl
• Title of publication: Six- and eight-coordinate thio- and seleno-ether complexes of NbF5 and some comparisons with NbCl5 and NbBr5 adducts.
• Authors of publication: Jura, Marek; Levason, William; Ratnani, Raju; Reid, Gillian; Webster, Michael
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 3
• Pages of publication: 883 - 891
• a: 7.999 ± 0.002 Å
• b: 11.924 ± 0.003 Å
• c: 10.796 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1029.7 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.0596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No