Information card for entry 2005340

Structure parameters

• Chemical name: Deuterated copper flurosilicate tetrahydrate
• Formula: Cu D8 F6 O4 Si
• Calculated formula: Cu D8 F6 O4 Si
• Title of publication: The Hydrogen-Bonding System in Deuterated Copper Fluorosilicate Tetrahydrate: a Neutron Diffraction Study
• Authors of publication: Chevrier, G.; Goukassov, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 9
• Pages of publication: 2121 - 2123
• a: 5.33 ± 0.02 Å
• b: 9.6 ± 0.05 Å
• c: 7.18 ± 0.05 Å
• α: 90°
• β: 105.16 ± 0.01°
• γ: 90°
• Cell volume: 355 ± 3 ų
• Cell temperature: 296 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.0465
• Goodness-of-fit parameter for significantly intense reflections: 5.713
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 1.52 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No