Information card for entry 7028446

Structure parameters

• Formula: C47 H42 Cr N6 O4
• Calculated formula: C47 H42 Cr N6 O4
• 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: 24.6646 ± 0.0014 Å
• b: 14.2926 ± 0.0007 Å
• c: 11.5541 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4073.1 ± 0.4 ų
• Cell temperature: 180 ± 1 K
• Ambient diffraction temperature: 180 ± 1 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No