Information card for entry 7001036

Structure parameters

• Formula: C25 H34 B Li N2 O
• Calculated formula: C25 H34 B Li N2 O
• SMILES: [B]([O](C)[Li]1[N](CC[N]1(C)C)(C)C)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Electronic communication in oligonuclear ferrocene complexes with anionic four-coordinate boron bridges
• Authors of publication: Kaufmann, Linda; Breunig, Jens-Michael; Vitze, Hannes; Schödel, Frauke; Nowik, Israel; Pichlmaier, Markus; Bolte, Michael; Lerner, Hans-Wolfram; Winter, Rainer F.; Herber, Rolfe H.; Wagner, Matthias
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 16
• Pages of publication: 2940 - 2950
• a: 11.551 ± 0.004 Å
• b: 13.504 ± 0.005 Å
• c: 16.349 ± 0.004 Å
• α: 90°
• β: 98.36 ± 0.02°
• γ: 90°
• Cell volume: 2523.1 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.4022
• Residual factor for significantly intense reflections: 0.1613
• Weighted residual factors for significantly intense reflections: 0.2526
• Weighted residual factors for all reflections included in the refinement: 0.3728
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No