Information card for entry 1551714

Structure parameters

• Formula: C20 H29 Cl Cu N5 O4.5 S
• Calculated formula: C20 H28 Cl Cu N5 O4.5 S
• Title of publication: Crystal Structure of Isothiocyanato-N,N′-diethyl-N,N′-bis(pyridine-2-ylmethyl)propanediaminecopper(II) Perchlorate
• Authors of publication: YOKOYAMA, Takashi; HASE, Shintaroh; YOSHISE, Masakazu; SHIOMI, Atsushi; SHIBA, Takuya; AKASHI, Haruo; ZENKI, Michio
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2011
• Journal volume: 27
• Pages of publication: 65
• a: 20.8501 ± 0.001 Å
• b: 17.2174 ± 0.0009 Å
• c: 15.063 ± 0.0007 Å
• α: 90°
• β: 119.049 ± 0.003°
• γ: 90°
• Cell volume: 4727.2 ± 0.4 ų
• Cell temperature: 296.1 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 7
• 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: 0.0498
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No