Information card for entry 4323848

Structure parameters

• Formula: C37 H59 Br5 Cl2 Cu8 N6 S3
• Calculated formula: C37 H59 Br5 Cl2 Cu8 N6 S3
• Title of publication: A Mixed (Arenethiolato)copper(I)/Copper Bromide Aggregate: X-ray Structure of Octanuclear [Cu8{SC6H3(CH2NMe2)2-2,6}3Br5]
• Authors of publication: Maurits D. Janssen; Anthony L. Spek; David M. Grove; Gerard van Koten
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 4078 - 4081
• a: 26.5238 ± 0.0015 Å
• b: 16.2318 ± 0.0015 Å
• c: 12.421 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5347.6 ± 1.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0961
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections: 0.1281
• Weighted residual factors for significantly intense reflections: 0.1108
• Goodness-of-fit parameter for all reflections: 1.008
• Goodness-of-fit parameter for significantly intense reflections: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No