Information card for entry 7220998

Structure parameters

• Formula: C38 H54 Cl2 N4 Zr2
• Calculated formula: C38 H54 Cl2 N4 Zr2
• SMILES: C(N(C)C)c1c(cccc1)N1[Zr]2345([c]6([c]4([c]5([c]2([c]36C)C)C)C)C)(Cl)N(c2c(cccc2)CN(C)C)[Zr]23451([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)Cl
• 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: 9.3661 ± 0.0007 Å
• b: 10.402 ± 0.0008 Å
• c: 11.5359 ± 0.0007 Å
• α: 111.082 ± 0.004°
• β: 103.324 ± 0.005°
• γ: 105.615 ± 0.005°
• Cell volume: 940.6 ± 0.13 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: 0.0404
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No