Information card for entry 8101464

Structure parameters

• Common name: [Cu4(OH)2(O)(S-alkyne)4]
• Formula: C40 H66 Cu4 O3 S4
• Calculated formula: C40 H66 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: 27.503 ± 0.004 Å
• b: 9.579 ± 0.001 Å
• c: 22.733 ± 0.004 Å
• α: 90°
• β: 126.54 ± 0.01°
• γ: 90°
• Cell volume: 4811.8 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1355
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No