Information card for entry 7028445

Structure parameters

• Formula: C25.42 H52.88 Cl2 Cu2 N6 O0.86
• Calculated formula: C25.392 H52.784 Cl2 Cu2 N6 O0.848
• Title of publication: Methanetrisamidines in coordination chemistry - syntheses, structures and CH-NH tautomerism.
• Authors of publication: Gutschank, Benjamin; Schulz, Stephan; Bläser, Dieter; Wölper, Christoph
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 7
• Pages of publication: 2907 - 2914
• a: 9.8688 ± 0.0003 Å
• b: 25.3571 ± 0.0007 Å
• c: 14.0716 ± 0.0004 Å
• α: 90°
• β: 94.159 ± 0.001°
• γ: 90°
• Cell volume: 3512.06 ± 0.18 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1482
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No