Information card for entry 7012876

Structure parameters

• Formula: C31 H24 B F15 K N O6 S
• Calculated formula: C31 H24 B F15 K N O6 S
• SMILES: [K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.C(=N[B](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)=S
• Title of publication: Synthesis and study of new binuclear compounds containing bridging (�-CN)B(C6F5)3 and (�-NC)B(C6F5)3 systems
• Authors of publication: Vei, Ino C.; Pascu, Sofia I.; Green, Malcolm L. H.; Green, Jennifer C.; Schilling, Richard E.; Anderson, Grant D. W.; Rees, Leigh H.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 12
• Pages of publication: 2550
• a: 8.913 ± 0.0005 Å
• b: 21.057 ± 0.0015 Å
• c: 18.738 ± 0.0014 Å
• α: 90°
• β: 97.339 ± 0.005°
• γ: 90°
• Cell volume: 3488 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0152
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No