Information card for entry 7027002

Structure parameters

• Formula: C32 H23 B F15 N3 P Re S4
• Calculated formula: C32 H23 B F15 N3 P Re S4
• SMILES: [Re]12([S]=C(S1)N(C)C)([S]=C(S2)N(C)C)([P](C)(C)c1ccccc1)#[N][B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Reactions of transition-metal nitrido compounds with B(C6F5)3∶ crystal structure of [Re{NB(C6F5)3}(PMe2Ph)(S2CNMe2)2]
• Authors of publication: Doerrer, Linda H.; Graham, Andrew J.; Green, Malcolm L. H.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 23
• Pages of publication: 3941
• a: 8.871 ± 0.005 Å
• b: 13.233 ± 0.001 Å
• c: 16.722 ± 0.0013 Å
• α: 80.73 ± 0.04°
• β: 77.13 ± 0.05°
• γ: 86.05 ± 0.05°
• Cell volume: 1887.6 ± 1.2 ų
• Cell temperature: 0 K
• Ambient diffraction temperature: 125 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 significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0506
• Goodness-of-fit parameter for significantly intense reflections: 1.0193
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No