Information card for entry 7220999

Structure parameters

• Formula: C27 H38 Cl Hf N3
• Calculated formula: C27 H38 Cl Hf N3
• SMILES: [Hf]12345(Cl)([cH]6[c]1([c]4([c]2([c]56C)C)C)C)([N](C)(Cc1ccccc31)C)Nc1c(cccc1)CN(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: 10.7501 ± 0.0007 Å
• b: 9.063 ± 0.0006 Å
• c: 27.246 ± 0.002 Å
• α: 90°
• β: 102.57 ± 0.006°
• γ: 90°
• Cell volume: 2590.9 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• 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: 0.0571
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No