Information card for entry 4344797

Structure parameters

• Formula: C56 H60 Cl2 N P2 Zr
• Calculated formula: C56 H60 Cl2 N P2 Zr
• SMILES: [Zr]1(Cl)(Cl)([P](Cc2c3n1c1c(c3cc(c2)C(C)(C)C)cc(cc1C[P](c1ccccc1)c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1)Cc1ccccc1.CCCCCC
• Title of publication: Synthesis and Reactivity of Group 4 Metal Benzyl Complexes Supported by Carbazolide-Based PNP Pincer Ligands.
• Authors of publication: Plundrich, Gudrun T.; Wadepohl, Hubert; Gade, Lutz H.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 353
• a: 15.0656 ± 0.0003 Å
• b: 15.5282 ± 0.0002 Å
• c: 21.92283 ± 0.00017 Å
• α: 98.0613 ± 0.0009°
• β: 101.152 ± 0.0012°
• γ: 96.3265 ± 0.0014°
• Cell volume: 4932.07 ± 0.13 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1813
• Weighted residual factors for all reflections included in the refinement: 0.1902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No