Information card for entry 4061923

Structure parameters

• Formula: C22 H17 Cr2 O6 P S
• Calculated formula: C22 H17 Cr2 O6 P S
• SMILES: [Cr]12345([P]([Cr]6789(C#[O])(C#[O])(C#[O])[cH]%10[cH]6[cH]7[cH]8[cH]9%10)(=[S]1)c1ccc(OC)cc1)(C#[O])(C#[O])[cH]1[cH]2[cH]3[cH]4[cH]51
• Title of publication: Complexes from Ring Opening of Lawesson's Reagent and Phosphorus-Phosphorus Coupling
• Authors of publication: Weng, Zhiqiang; Leong, Weng Kee; Vittal, Jagadese J.; Goh, Lai Yoong
• Journal of publication: Organometallics
• Year of publication: 2003
• Journal volume: 22
• Journal issue: 8
• Pages of publication: 1645 - 1656
• a: 19.6999 ± 0.0017 Å
• b: 9.6164 ± 0.0009 Å
• c: 11.5827 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2194.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Duplicate of: 4061922
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No