Information card for entry 7028147

Structure parameters

• Formula: C19 H28 Cl2 Nb2 O S6
• Calculated formula: C19 H27 Cl2 Nb2 O S6
• 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: 10.2778 ± 0.0007 Å
• b: 11.3022 ± 0.0008 Å
• c: 23.12 ± 0.002 Å
• α: 98.609 ± 0.007°
• β: 96.039 ± 0.009°
• γ: 90.532 ± 0.005°
• Cell volume: 2639.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0809
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for all reflections: 0.1198
• Weighted residual factors for significantly intense reflections: 0.0953
• Goodness-of-fit parameter for all reflections: 1.025
• Goodness-of-fit parameter for significantly intense reflections: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No