Information card for entry 4001657

Structure parameters

• Common name: Ammonium tetracoppertrisulfide
• Formula: Cu4 H4 N S3
• Calculated formula: Cu4 H2 N S3
• Title of publication: Ammonothermal Crystal Growth of Sulfide Materials
• Authors of publication: Purdy, Andrew P.
• Journal of publication: Chemistry of Materials
• Year of publication: 1998
• Journal volume: 10
• Journal issue: 3
• Pages of publication: 692
• a: 3.9101 ± 0.0001 Å
• b: 3.9101 ± 0.0001 Å
• c: 9.4758 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 144.874 ± 0.011 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 123
• Hermann-Mauguin space group symbol: P 4/m m m
• Hall space group symbol: -P 4 2
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for all reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.0661
• Goodness-of-fit parameter for all reflections: 1.072
• Goodness-of-fit parameter for significantly intense reflections: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No