Information card for entry 8101462

Structure parameters

• Common name: [Cu4(iso-C3H7O)2(O)(S-alkyne)4]
• Formula: C52 H92 Cu4 O3 S4
• Calculated formula: C52 H92 Cu4 O3 S4
• Title of publication: Crystal structure of bis(isopropoxo)(oxo)tetrakis(3,3,6,6-tetramethyl- 1-thia-cyclohept-4-yne)tetracopper(I)-n-hexane (1/1), [Cu4(iso-C3H7O) 2(O)(C10H16S)4] · C6H14, of hydroxo-isopropoxo-oxo-tetrakis (3,3,6,6-tetramethyl-1-thia-cyclohept-4-yne)tetracopper(I), [Cu4(OH) (iso-C3H7O)(O)(C10H16S)4] and of dihydroxo-oxo-tetrakis(3,3,6,6-tetramethyl- 1-thia-cyclohept-4-yne)-tetracopper(I), [Cu4(OH)2(O)(C10H16S)4]
• Authors of publication: Olbrich, Falk; Gröger, Gunther; Behrens, Ulrich
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 2
• Pages of publication: 195 - 200
• a: 11.647 ± 0.003 Å
• b: 25.293 ± 0.004 Å
• c: 19.832 ± 0.004 Å
• α: 90°
• β: 91.99 ± 0.02°
• γ: 90°
• Cell volume: 5839 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No