Information card for entry 1519648

Structure parameters

• Formula: C22 H18 Cu N8 S2
• Calculated formula: C11 Cu0.5 N4 S
• Title of publication: Crystal Structure and Spectroscopic Properties of the Bis[(S-thiocyanate) (2,2'-dipyridylamine)] Copper(II) Complex
• Authors of publication: Mesa, Jose L.; Urtiaga, Karmele; Lezama, Luis; Arriortua, Maria I.
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1999
• Journal volume: 53
• Pages of publication: 634 - 638
• a: 7.642 ± 0.002 Å
• b: 17.527 ± 0.003 Å
• c: 8.372 ± 0.002 Å
• α: 90°
• β: 102.51 ± 0.02°
• γ: 90°
• Cell volume: 1094.7 ± 0.4 ų
• Ambient diffraction temperature: 298 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: 0.037
• Weighted residual factors for significantly intense reflections: 0.096
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No