Information card for entry 4060446

Structure parameters

• Formula: C48 H44 Mo N2 O3 P2
• Calculated formula: C48 H44 Mo N2 O3 P2
• SMILES: [Mo]1234([c]5([cH]1[cH]2[cH]3[cH]45)CCN(C)C)(C#[O])(C#[O])C#[O].N(=P(c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: On the regioselectivity of the addition of O2 on SPS-based Rh(I) and Ir(I) complexes
• Authors of publication: M. Doux; L. Ricard; P. Le Floch; Y. Jean
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 12.344 ± 0.002 Å
• b: 12.934 ± 0.002 Å
• c: 25.757 ± 0.005 Å
• α: 90°
• β: 91.169 ± 0.003°
• γ: 90°
• Cell volume: 4111.6 ± 1.3 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/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No