Information card for entry 7026673

Structure parameters

• Formula: C37 H56 I N3 Zn
• Calculated formula: C37 H56 I N3 Zn
• SMILES: I[Zn]1[N](=C(N1c1c(cccc1C(C)C)C(C)C)N(C1CCCCC1)C1CCCCC1)c1c(cccc1C(C)C)C(C)C
• Title of publication: Bulky guanidinato and amidinato zinc complexes and their comparative stabilities.
• Authors of publication: Jones, Cameron; Furness, Leigh; Nembenna, Sharanappa; Rose, Richard P.; Aldridge, Simon; Stasch, Andreas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 37
• Pages of publication: 8788 - 8795
• a: 10.659 ± 0.002 Å
• b: 18.297 ± 0.004 Å
• c: 19.481 ± 0.004 Å
• α: 90°
• β: 105.17 ± 0.03°
• γ: 90°
• Cell volume: 3666.9 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No