Information card for entry 7012878

Structure parameters

• Formula: C26 H5 B F15 Fe N O2
• Calculated formula: C26 H5 B F15 Fe N O2
• SMILES: [Fe]1234([N]#C[B](c5c(F)c(F)c(F)c(c5F)F)(c5c(F)c(F)c(F)c(c5F)F)c5c(F)c(F)c(F)c(c5F)F)(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45
• 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: 9.908 ± 0.0004 Å
• b: 10.402 ± 0.0004 Å
• c: 12.689 ± 0.0006 Å
• α: 97.594 ± 0.002°
• β: 92.383 ± 0.002°
• γ: 99.853 ± 0.002°
• Cell volume: 1274.41 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for all reflections included in the refinement: 0.0409
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9453
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No