Information card for entry 7027630

Structure parameters

• Chemical name: tris(N,N-dimethyldithiocarbamato-S,S')-η^5^-2,3- dicarbaundecaborane(11)- niobium(V) dichlorodeuteromethylene
• Formula: C12 H29 B9 Cl2 D2 N3 Nb S6
• Calculated formula: C12 H31 B9 Cl2 N3 Nb S6
• Title of publication: Transition metal dicarbollide complexes: synthesis, molecular, crystal and electronic structures of [M(C2B9H11)(NMe2)3] (M = Nb or Ta) and their insertion reactions with CO2 and CS2 †
• Authors of publication: Batsanov, Andrei S.; Churakov, Andrei V.; Howard, Judith A. K.; Hughes, Andrew K.; Johnson, Andrew L.; Kingsley, Andrew J.; Neretin, Ivan S.; Wade, Ken
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 21
• Pages of publication: 3867
• a: 9.879 ± 0.003 Å
• b: 11.637 ± 0.003 Å
• c: 13.957 ± 0.004 Å
• α: 98.77 ± 0.01°
• β: 97.42 ± 0.01°
• γ: 113.04 ± 0.01°
• Cell volume: 1427.5 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0286
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.0529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No