Information card for entry 7006135

Structure parameters

• Formula: C67 H68 B2 F24 Fe N3 O2
• Calculated formula: C64 H61 B2 F24 Fe N3 O2
• Title of publication: Insertion reactions of dicyclohexylcarbodiimide with aminoboranes, -boryls and -borylenes.
• Authors of publication: Pierce, Glesni A.; Coombs, Natalie D.; Willock, David J.; Day, Joanna K.; Stasch, Andreas; Aldridge, Simon
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 39
• Pages of publication: 4405 - 4412
• a: 19.098 ± 0.005 Å
• b: 18.691 ± 0.005 Å
• c: 23.105 ± 0.005 Å
• α: 90 ± 0.005°
• β: 112.45 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 7623 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1026
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1711
• Weighted residual factors for all reflections included in the refinement: 0.1858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No