Information card for entry 7101734

Structure parameters

• Formula: C9.5 H22 Cl3 Cu N3
• Calculated formula: C9.5 H22 Cl3 Cu N3
• Title of publication: Templated crystal nucleation: mixed crystals of very different copper(II) N,N',N''-trimethyltriazacyclononane complexes.
• Authors of publication: Steed, Jonathan W; Goeta, Andrés E; Lipkowski, Janusz; Swierczynski, Dariusz; Panteleon, Vicky; Handa, Sheetal
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 8
• Pages of publication: 813 - 815
• a: 13.791 ± 0.0003 Å
• b: 14.531 ± 0.0002 Å
• c: 15.053 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3016.58 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No