Information card for entry 7117602

Structure parameters

• Formula: C38 H48 B Cr Fe N3 O7
• Calculated formula: C38 H48 B Cr Fe N3 O7
• SMILES: N1([B@@]2([N](C3CCCCC3)=C(/C2=N/C2CCCCC2)[Cr](C#[O])(C#[O])(C#[O])(C#[O])C#[O])C1=[Fe]1234([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)(C#[O])C#[O])C1CCCCC1
• Title of publication: Activation of boryl-, borylene and metalloborylene complexes by isonitriles.
• Authors of publication: Braunschweig, Holger; Ewing, William C.; Ferkinghoff, Katharina; Hermann, Alexander; Kramer, Thomas; Shang, Rong; Siedler, Eva; Werner, Christine
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 65
• Pages of publication: 13032 - 13035
• a: 10.8 ± 0.003 Å
• b: 18.449 ± 0.006 Å
• c: 19.691 ± 0.006 Å
• α: 90°
• β: 96.23 ± 0.009°
• γ: 90°
• Cell volume: 3900 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0238
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No