Information card for entry 4060986

Structure parameters

• Formula: C20 H28 B4 Ir Mo N O3
• Calculated formula: C20 H28 B4 Ir Mo N O3
• SMILES: [Ir]12345678([Mo]9%10([N]#Cc%11ccccc%11)([BH]%111[H][BH]12%11[H][BH]231[H][BH]492[H]%10)(C#[O])(C#[O])C#[O])[c]1([c]5([c]6([c]7([c]81C)C)C)C)C
• Title of publication: Heterobimetallic Metallaborane Chemistry: Synthesis and Characterization of a "Lightly Stabilized" Molybdairidahexaborane, [{Cp*Ir}{(CO)3(THF)Mo}B4H8], and Its Direct Conversion to [{Cp*Ir}{(CO)3(L)Mo}B4H8] (L = CO, PPh3, NCPh, CNBu, NH3, PPh3CHC(O)OMe)
• Authors of publication: Macías, Ramón; Fehlner, Thomas P.; Beatty, Alicia M.; Noll, Bruce
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 25
• Pages of publication: 5994 - 6001
• a: 29.274 ± 0.0006 Å
• b: 10.5875 ± 0.0002 Å
• c: 17.3862 ± 0.0004 Å
• α: 90°
• β: 119.818 ± 0.001°
• γ: 90°
• Cell volume: 4675.24 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No