Information card for entry 4063648

Structure parameters

• Formula: C25 H43 N Zr
• Calculated formula: C25 H43 N Zr
• SMILES: [Zr]12345678(N(CC)CC)([c]9([c]1([c]2([c]3([c]49C)C)C)C)C)([c]1([c]5([c]6([c]7([c]81C)C)C)C)C)C
• Title of publication: Catalyst Deactivation Reactions: The Role of Tertiary Amines Revisited
• Authors of publication: Novarino, Elena; Guerrero Rios, Itzel; van der Veer, Siebe; Meetsma, Auke; Hessen, Bart; Bouwkamp, Marco W.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 1
• Pages of publication: 92
• a: 10.038 ± 0.0016 Å
• b: 14.222 ± 0.002 Å
• c: 16.969 ± 0.003 Å
• α: 90°
• β: 106.879 ± 0.002°
• γ: 90°
• Cell volume: 2318.1 ± 0.6 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No