Information card for entry 7024386

Structure parameters

• Common name: (2,5-diselenahexane-Se,Se')bis(pentachloroniobium(V))
• Chemical name: (2,5-diselenahexane-Se,Se')bis(pentachloroniobium(V))
• Formula: C4 H10 Cl10 Nb2 Se2
• Calculated formula: C4 H10 Cl10 Nb2 Se2
• SMILES: C[Se](CC[Se](C)[Nb](Cl)(Cl)(Cl)(Cl)Cl)[Nb](Cl)(Cl)(Cl)(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: 6.9033 ± 0.0015 Å
• b: 13.02 ± 0.004 Å
• c: 11.111 ± 0.003 Å
• α: 90°
• β: 98.812 ± 0.015°
• γ: 90°
• Cell volume: 986.9 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1053
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No