Information card for entry 7028007

Structure parameters

• Formula: C20 H56 B20 N O Re S4
• Calculated formula: C20 H56 B20 N O Re S4
• SMILES: [Re]12(S[C]3456[C]789(S1)[BH]1%10%11[BH]%12%13%14[BH]%153([BH]471%12)[BH]13%14[BH]4%11%13[BH]79%10[BH]958[BH]6%151[BH]3479)(S[C]1345[C]678(S2)[BH]29%10[BH]%11%12%13[BH]%141([BH]362%11)[BH]12%13[BH]3%10%12[BH]689[BH]847[BH]5%141[BH]2368)=O.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Transition metal complexes containing the 1,2-dicarba-closo-dodecaborane-1,2-dithiolate ligand: crystal structures of [4-MeC5H4NMe]2[Pd(S2C2B10H10)I2], [NEt3H][Mo(η5-C5H5)(NO)(S2C2B10H10)I], [NBu4][Re(O)(S2C2B10H10)2] and [4-MeC5H4NMe]2[{Mo(O)(μ-O)(S2C2B10H10)}2]
• Authors of publication: McKinney, James D.; Chen, Hongli; Hamor, Thomas A.; Paxton, Keith; Jones, Christopher J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 13
• Pages of publication: 2163
• a: 10.989 ± 0.002 Å
• b: 24.156 ± 0.005 Å
• c: 16.069 ± 0.004 Å
• α: 90°
• β: 105.99 ± 0.02°
• γ: 90°
• Cell volume: 4100.5 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0623
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for all reflections: 0.1058
• Weighted residual factors for significantly intense reflections: 0.1017
• Goodness-of-fit parameter for all reflections: 1.257
• Goodness-of-fit parameter for significantly intense reflections: 1.275
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No