Information card for entry 4069706

Structure parameters

• Formula: C52.5 H103 N6 O Zn5
• Calculated formula: C52.75 H96 N6 O Zn5
• Title of publication: Zinc Carbodiimide Cluster Complexes: Synthesis, X-ray Crystal Structures, and Reaction Mechanism
• Authors of publication: Schmidt, Sarah; Gondzik, Sebastian; Schulz, Stephan; Bläser, Dieter; Boese, Roland
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 15
• Pages of publication: 4371
• a: 12.8446 ± 0.0009 Å
• b: 13.7719 ± 0.001 Å
• c: 19.7904 ± 0.0013 Å
• α: 94.978 ± 0.004°
• β: 108.659 ± 0.003°
• γ: 103.379 ± 0.004°
• Cell volume: 3177.3 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No