Information card for entry 4344786

Structure parameters

• Formula: C34 H55 N P2
• Calculated formula: C34 H55 N P2
• SMILES: c12c(cc(cc1c1c([nH]2)c(cc(c1)C(C)(C)C)CP(C(C)C)C(C)C)C(C)(C)C)CP(C(C)C)C(C)C
• 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: 24.2228 ± 0.0003 Å
• b: 12.44798 ± 0.00016 Å
• c: 11.01843 ± 0.00011 Å
• α: 90°
• β: 93.693 ± 0.001°
• γ: 90°
• Cell volume: 3315.43 ± 0.07 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 4
• 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: 0.0397
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No