Information card for entry 7012871

Structure parameters

• Formula: C30 H55 Cl8 Cu2 N9
• Calculated formula: C30 H55 Cl8 Cu2 N9
• Title of publication: Coordination chemistry of copper-(I) and -(II) with 2-pyridylmethyl substituted triazacyclohexanes
• Authors of publication: Randolf D. Köhn; Zhida Pan; Mary F. Mahon; Gabriele Kociok-Köhn
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 11
• Pages of publication: 2269 - 2275
• a: 9.371 ± 0.0002 Å
• b: 23.299 ± 0.0005 Å
• c: 9.918 ± 0.0002 Å
• α: 90°
• β: 101.772 ± 0.001°
• γ: 90°
• Cell volume: 2119.9 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• 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
• Residual factor for all reflections: 0.0903
• Residual factor for significantly intense reflections: 0.0818
• Weighted residual factors for significantly intense reflections: 0.2091
• Weighted residual factors for all reflections included in the refinement: 0.2164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No