Information card for entry 2006511

Structure parameters

• Formula: C44 H46 Cu2 N4 P2 S6 W
• Calculated formula: C44 H46 Cu2 N4 P2 S6 W
• SMILES: [P]([Cu]12([S]=C3NCCCN3)[W]34(S1)(S2)[Cu]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([S]=C1NCCCN1)(S3)S4)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: A Linear Cluster with Mixed Ligands, [WCu~2~S~4~(tpt)~2~(PPh~3~)~2~]
• Authors of publication: Wang, Quanming; Wu, Xintao; Huang, Qun; Sheng, Tianlu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 1220 - 1221
• a: 17.427 ± 0.002 Å
• b: 10.021 ± 0.005 Å
• c: 28.639 ± 0.003 Å
• α: 90°
• β: 106.71 ± 0.01°
• γ: 90°
• Cell volume: 4790 ± 3 ų
• Cell temperature: 293 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
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0374
• Goodness-of-fit parameter for significantly intense reflections: 1.04
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No