Information card for entry 7100211

Structure parameters

• Formula: C29 H21 Mn O7 P2 S
• Calculated formula: C29 H21 Mn O7 P2 S
• SMILES: [Mn]1(C#[O])(C#[O])(C#[O])(C#[O])[P](C(S(=O)(=O)[O-])[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: New approach to sulfonated diphosphines: synthesis and amphoteric behaviour of the zwitterionic complex [Mn+(CO)4{(PPh2)2C(H)SO3-}]
• Authors of publication: Javier Ruiz; Mario Ceroni; Santiago Garcia-Granda; Marta Gonzalo; F.van der Maelen; M.Vivanco
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 10.714 ± 0.004 Å
• b: 14.256 ± 0.002 Å
• c: 18.824 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2875.2 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No