Information card for entry 4062350

Structure parameters

• Formula: C20 H20 B N4 Na O2
• Calculated formula: C12 H15 B N Na O2
• SMILES: [BH2](C#N)C(C#Cc1ccccc1)OCC.[Na+].O
• Title of publication: New Reactivity Modes of Chromium(0) Fischer Carbene Complexes: Unprecedented Insertion of a Carbene Ligand into an Active B-H Bond
• Authors of publication: Ramírez-López, Pedro; Sierra, Miguel A.; Gómez-Gallego, Mar; Mancheño, María José; Gornitzka, Heinz
• Journal of publication: Organometallics
• Year of publication: 2003
• Journal volume: 22
• Journal issue: 24
• Pages of publication: 5092 - 5099
• a: 8.7633 ± 0.0006 Å
• b: 7.8939 ± 0.0006 Å
• c: 38.657 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2674.2 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No