Information card for entry 7220993

Structure parameters

• Formula: C42 H60 Cl2 N2 Zr2
• Calculated formula: C42 H60 Cl2 N2 Zr2
• SMILES: [cH]12[c]3([c]4([c]5([c]1(C)[Zr]12345(N(c2c(cccc2C(C)C)C(C)C)[Zr]2345([cH]6[c]2([c]3([c]4([c]56C)C)C)C)(N1c1c(cccc1C(C)C)C(C)C)Cl)Cl)C)C)C
• Title of publication: Mixed Amido-cyclopentadienyl Group 4 Metal Complexes
• Authors of publication: Havlik, Ales; Lamač, Martin; Pinkas, Jiri; Růžička, Aleš; Horacek, Michal
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 10.2009 ± 0.0005 Å
• b: 10.5211 ± 0.0007 Å
• c: 10.614 ± 0.0007 Å
• α: 113.719 ± 0.006°
• β: 103.394 ± 0.005°
• γ: 98.566 ± 0.005°
• Cell volume: 976.34 ± 0.12 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 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: 0.0361
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No