Information card for entry 7001404

Structure parameters

• Formula: C21 H24 N6
• Calculated formula: C21 H24 N6
• SMILES: C1N(Cc2ncccc2)CN(Cc2ncccc2)CN1Cc1ncccc1
• Title of publication: Triangular tricopper(i) clusters supported by donor-substituted triazacyclohexanes
• Authors of publication: Köhn, Randolf D.; Tomás Laudo, Lorena; Pan, Zhida; Speiser, Fredy; Kociok-Köhn, Gabriele
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 23
• Pages of publication: 4556 - 4568
• a: 10.059 ± 0.0003 Å
• b: 10.0802 ± 0.0003 Å
• c: 10.568 ± 0.0004 Å
• α: 88.173 ± 0.001°
• β: 82.238 ± 0.001°
• γ: 61.541 ± 0.001°
• Cell volume: 932.79 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No