Information card for entry 4078077

Structure parameters

• Formula: C38 H65 Hf N7 O
• Calculated formula: C38 H65 Hf N7 O
• SMILES: [Hf]123(Oc4c(C(C)(C)C)cc(C(C)(C)C)cc4N1c1ccccc1)([N](C(C)C)=C(N(C)C)N3C(C)C)[N](C(C)C)=C(N(C)C)N2C(C)C
• Title of publication: Synthesis and Structural Diversity of Group 4 Metal Complexes with Multidentate Tethered Phenoxy-Amidine and Phenoxy-Amidinate Ligands
• Authors of publication: Kirillov, Evgeny; Roisnel, Thierry; Carpentier, Jean-François
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 8
• Pages of publication: 3228
• a: 14.3383 ± 0.0004 Å
• b: 16.4928 ± 0.0004 Å
• c: 17.3099 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4093.42 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0208
• Residual factor for significantly intense reflections: 0.0174
• Weighted residual factors for significantly intense reflections: 0.0399
• Weighted residual factors for all reflections included in the refinement: 0.0414
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No