Information card for entry 4101130

Structure parameters

• Formula: C78 H85 B2 N5 U
• Calculated formula: C78 H85 B2 N5 U
• SMILES: [U]12345678([N]#CC)([N]#CC)([N]#CC)([N]#CC)([N]#CC)([c]9([c]1([c]2([c]3([c]49C)C)C)C)C)[c]1([c]8([c]7([c]6([c]51C)C)C)C)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: An Unprecedented Type of Linear Metallocene with an f-Element
• Authors of publication: Maynadié, J.; Berthet, J. C.; Thuéry, P.; Ephritikhine, M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 4
• Pages of publication: 1082 - 1083
• a: 10.0055 ± 0.0001 Å
• b: 27.7679 ± 0.0006 Å
• c: 24.2432 ± 0.0006 Å
• α: 90°
• β: 97.678 ± 0.001°
• γ: 90°
• Cell volume: 6675.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No