Information card for entry 7050722

Structure parameters

• Formula: C18 H21 Br Cu3 Mo N3 O S3
• Calculated formula: C18 H21 Br Cu3 Mo N3 O S3
• SMILES: [Br]12[Cu]34([Mo]5678([Cu]1([S]36)([S]7[Cu]25([S]48)[n]1ccccc1C)[n]1ccccc1C)=O)[n]1ccccc1C
• 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: 11.1287 ± 0.0005 Å
• b: 11.9739 ± 0.0005 Å
• c: 18.9832 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2529.59 ± 0.19 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