Information card for entry 7050723

Structure parameters

• Formula: C18 H21 Cu3 I N3 O S3 W
• Calculated formula: C18 H21 Cu3 I N3 O S3 W
• SMILES: [W]12345([Cu]67([I]8[Cu]1([S]36)([S]5[Cu]28([S]47)[n]1ccccc1C)[n]1ccccc1C)[n]1ccccc1C)=O
• Title of publication: Sign alteration of nonlinear refraction of the isomorphous cubane-shaped heterothiometallic clusters originating from a skeleton atomic effect
• Authors of publication: Chi, Dae Yoon; Fun, H.; Hermann, W. A.; Song, Y.; Wang, Y.; Xin, X.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2002
• a: 11.968 ± 0.005 Å
• b: 19.102 ± 0.004 Å
• c: 11.209 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2562.3 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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