Information card for entry 7100592

Structure parameters

• Formula: C122 H126 Cu3 O4 P7 S6
• Calculated formula: C122 H126 Cu3 O4 P7 S6
• SMILES: [Cu]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)[S]=P3(S[Cu]([P](c4ccccc4)(c4ccccc4)c4ccccc4)([P](c4ccccc4)(c4ccccc4)c4ccccc4)[S]=P4([S]2[Cu]([P](c2ccccc2)(c2ccccc2)c2ccccc2)[S]=P(S1)(O4)OC(C)(C)C)O3)OC(C)(C)C.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1
• Title of publication: Reactions of P/S-containing proligands with coinage metal salts: a new route to polynuclear complexes with unusual structural types
• Authors of publication: Alexander Rothenberger; R. Ahrichs; Christopher E. Anson; C. Schrodt; Maryam Shafaei-Fallah; Weifeng Shi
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 14.0332 ± 0.0004 Å
• b: 16.4359 ± 0.0005 Å
• c: 26.1064 ± 0.0008 Å
• α: 106.226 ± 0.002°
• β: 102.598 ± 0.002°
• γ: 91.228 ± 0.003°
• Cell volume: 5620.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No