Information card for entry 7028146

Structure parameters

• Formula: C7 H9 Cl2 Nb O0.5 S
• Calculated formula: C7 H9 Cl2 Nb O0.5 S
• Title of publication: Synthesis and characterisation of monocyclopentadienyl dithiolato complexes of niobium and tantalum; crystal structures of [Nb2(μ-O)(μ-η2∶η2-S2C2H4)(η5-C5H4Me)2Cl4] and [Nb2(μ-η1∶η2-S2C2H4)2(η5-C5H4Me)2O(S2C2H4)] †
• Authors of publication: Lindsell, W. Edward; Rosair, Georgina M.; Spence, Malcolm A.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 19
• Pages of publication: 3281
• a: 11.7436 ± 0.0015 Å
• b: 9.4404 ± 0.0013 Å
• c: 18.031 ± 0.002 Å
• α: 90°
• β: 106.489 ± 0.009°
• γ: 90°
• Cell volume: 1916.8 ± 0.4 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for all reflections: 0.0841
• Weighted residual factors for significantly intense reflections: 0.0785
• Goodness-of-fit parameter for all reflections: 1.084
• Goodness-of-fit parameter for significantly intense reflections: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No