Information card for entry 1518220

Structure parameters

• Formula: Cu H4 Mo N S4
• Calculated formula: Cu0.535 Mo0.465 N0.5 S2
• Title of publication: Single crystal structure of NH4CuMoS4
• Authors of publication: Bensch, W.; Stauber-Reichmuth, G.; Reller, A.; Oswald, H. R.
• Journal of publication: Revue de Chimie Minerale
• Year of publication: 1987
• Journal volume: 24
• Pages of publication: 503 - 508
• a: 8.005 ± 0.001 Å
• b: 8.005 ± 0.001 Å
• c: 5.399 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 345.97 ± 0.14 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No