Information card for entry 4069377

Structure parameters

• Formula: C36 H70 N6 Zr
• Calculated formula: C36 H70 N6 Zr
• SMILES: C1(CCCCC1)N1C(C)=[N](C2CCCCC2)[Zr]21([N](C1CCCCC1)=C(C)N2C1CCCCC1)(N(CC)CC)N(CC)CC
• Title of publication: Synthesis and Characterization of Group 4 Amidinate Amide Complexes M[CyNC(Me)NCy]2(NR2)2(R = Me, M = Ti, Zr, Hf; R = Et, M = Zr)
• Authors of publication: Sun, Jia-Feng; Chen, Shu-Jian; Duan, Yuxi; Li, Yi-Zhi; Chen, Xue-Tai; Xue, Zi-Ling
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 10
• Pages of publication: 3088
• a: 10.2517 ± 0.0005 Å
• b: 34.9141 ± 0.0018 Å
• c: 10.824 ± 0.0006 Å
• α: 90°
• β: 102.712 ± 0.001°
• γ: 90°
• Cell volume: 3779.3 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0377
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No