Information card for entry 4100946

Structure parameters

• Formula: C27 H39 B Fe N2 O5 Si
• Calculated formula: C27 H39 B Fe N2 O5 Si
• SMILES: [Fe]1234([Si](C)(C)C)([N]5([B]1([CH]4[CH]3=[CH]25)OC(c1c2ccccc2n(c1)C)C(C)(C)C(=O)OC)C(C)(C)C)(C#[O])C#[O]
• Authors of publication: Ilia A. Guzei
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 10.5502 ± 0.0009 Å
• b: 11.3979 ± 0.0009 Å
• c: 14.2293 ± 0.0012 Å
• α: 96.935 ± 0.001°
• β: 92.995 ± 0.001°
• γ: 107.64 ± 0.001°
• Cell volume: 1611.5 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No