Information card for entry 4073745

Structure parameters

• Formula: C44 H71 Cl2 Hf Li N2 O6
• Calculated formula: C44 H71 Cl2 Hf Li N2 O6
• Title of publication: Synthesis and Characterization of (2,6-iPrNCN)HfCl2-and (3,5-MeNCN)2Hf2-(where NCN = 2,6-bis[phenylazanidyl]methylphenyl): New Trianionic Pincer Ligands
• Authors of publication: Koller, Jürgen; Sarkar, Soumya; Abboud, Khalil A.; Veige, Adam S.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 22
• Pages of publication: 5438
• a: 14.2626 ± 0.0011 Å
• b: 12.6991 ± 0.001 Å
• c: 27.443 ± 0.002 Å
• α: 90°
• β: 98.627 ± 0.002°
• γ: 90°
• Cell volume: 4914.3 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.1439
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1418
• Weighted residual factors for all reflections included in the refinement: 0.1669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No