Information card for entry 7026679

Structure parameters

• Formula: C58 H86 Br2 N4 Zn2
• Calculated formula: C58 H86 Br2 N4 Zn2
• SMILES: CC(C1=[N](c2c(cccc2C(C)C)C(C)C)[Zn]2([Br][Zn]3([N](c4c(cccc4C(C)C)C(C)C)=C(C(C)(C)C)N3c3c(cccc3C(C)C)C(C)C)[Br]2)N1c1c(cccc1C(C)C)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: 10.0698 ± 0.0003 Å
• b: 10.7948 ± 0.0004 Å
• c: 14.8844 ± 0.0007 Å
• α: 105.869 ± 0.002°
• β: 102.254 ± 0.002°
• γ: 106.999 ± 0.002°
• Cell volume: 1411.22 ± 0.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0921
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No