Information card for entry 7220994

Structure parameters

• Formula: C44 H64 Cl2 N2 Zr2
• Calculated formula: C44 H64 Cl2 N2 Zr2
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Zr]12345(N(c2c(cccc2C(C)C)C(C)C)[Zr]2345([c]6([c]2([c]3([c]5([c]46C)C)C)C)C)(N1c1c(cccc1C(C)C)C(C)C)Cl)Cl)C)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: 21.2253 ± 0.0006 Å
• b: 18.058 ± 0.0003 Å
• c: 11.1202 ± 0.0004 Å
• α: 90°
• β: 96.141 ± 0.003°
• γ: 90°
• Cell volume: 4237.8 ± 0.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0825
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.1522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No