Information card for entry 2100761

Structure parameters

• Formula: Cu D20 N2 O14 S2
• Calculated formula: Cu D20 N2 O14 S2
• Title of publication: Charge density around a Jahn-Teller-distorted site: (ND~4~)~2~Cu(SO~4~)~2~.6D~2~O at 85 K
• Authors of publication: Figgis, B. N.; Khor, L.; Kucharski, E. S.; Reynolds, P. A.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 2
• Pages of publication: 144 - 151
• a: 9.399 ± 0.002 Å
• b: 12.673 ± 0.002 Å
• c: 6.071 ± 0.001 Å
• α: 90°
• β: 107.13 ± 0.01°
• γ: 90°
• Cell volume: 691.1 ± 0.2 ų
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No