Information card for entry 4338079

Structure parameters

• Formula: C30 H45 Cl Hf N3 P Si3
• Calculated formula: C30 H45 Cl Hf N3 P Si3
• SMILES: [Hf]123(Cl)[P](Cc4ccccc4N1[Si](C)(C)C)(Cc1ccccc1N2[Si](C)(C)C)Cc1ccccc1N3[Si](C)(C)C
• Title of publication: A Tripodal Benzylene-Linked Trisamidophosphine Ligand Scaffold: Synthesis and Coordination Chemistry with Group(IV) Metals.
• Authors of publication: Batke, Sonja; Sietzen, Malte; Wadepohl, Hubert; Ballmann, Joachim
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 4144 - 4153
• a: 11.40019 ± 0.00006 Å
• b: 16.50065 ± 0.00007 Å
• c: 19.14401 ± 0.0001 Å
• α: 90°
• β: 105.969 ± 0.0005°
• γ: 90°
• Cell volume: 3462.23 ± 0.03 ų
• Cell temperature: 110 ± 1 K
• Ambient diffraction temperature: 110 ± 1 K
• Number of distinct elements: 7
• 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: 0.0234
• Residual factor for significantly intense reflections: 0.0188
• Weighted residual factors for significantly intense reflections: 0.0379
• Weighted residual factors for all reflections included in the refinement: 0.0391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No