Information card for entry 7026677

Structure parameters

• Formula: C31 H49 I2 N3 Zn2
• Calculated formula: C31 H49 I2 N3 Zn2
• SMILES: I[Zn]1[N](=CN([Zn](I)[N]1(C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)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: 12.98 ± 0.003 Å
• b: 12.87 ± 0.003 Å
• c: 21.64 ± 0.004 Å
• α: 90°
• β: 93.42 ± 0.03°
• γ: 90°
• Cell volume: 3608.6 ± 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: 0.0412
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No