Information card for entry 7006139

Structure parameters

• Common name: sa0606
• Formula: C21 H19 B Cl Fe N O2
• Calculated formula: C21 H19 B Cl Fe N O2
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Fe]2345(C#[O])(C#[O])B(N(Cc1ccccc1)Cc1ccccc1)Cl
• 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: 12.1425 ± 0.0003 Å
• b: 12.7613 ± 0.0003 Å
• c: 13.5593 ± 0.0004 Å
• α: 91.382 ± 0.001°
• β: 105.88 ± 0.001°
• γ: 102.833 ± 0.001°
• Cell volume: 1962.32 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.0901
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No