Information card for entry 7012872

Structure parameters

• Formula: C62 H76 B4 Cu4 F16 N20
• Calculated formula: C62 H76 B4 Cu4 F16 N20
• 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: 10.444 ± 0.0003 Å
• b: 12.316 ± 0.0004 Å
• c: 15.613 ± 0.0005 Å
• α: 89.668 ± 0.0017°
• β: 76.091 ± 0.0018°
• γ: 73.227 ± 0.0012°
• Cell volume: 1862.08 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0764
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No