Information card for entry 4075726

Structure parameters

• Formula: C36 H42 B F15 Hf N4 P2
• Calculated formula: C36 H42 B F15 Hf N4 P2
• SMILES: [Hf]12(N(P3[N]2(P(N1C(C)(C)C)N3C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)[CH3][B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Bis(amido)cyclodiphosph(III)azane Hafnium Complexes and Their Activation by Tris(perfluorophenyl)borane
• Authors of publication: Axenov, Kirill V.; Klinga, Martti; Leskelä, Markku; Repo, Timo
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 6
• Pages of publication: 1336
• a: 12.168 ± 0.001 Å
• b: 19.986 ± 0.001 Å
• c: 17.984 ± 0.001 Å
• α: 90°
• β: 103.561 ± 0.002°
• γ: 90°
• Cell volume: 4251.6 ± 0.5 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: 0.0969
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No