Information card for entry 7026676

Structure parameters

• Formula: C45 H72 Br2 Li N3 O2 Zn
• Calculated formula: C45 H72 Br2 Li N3 O2 Zn
• SMILES: [Br]1[Zn]2([N](=C(N2c2c(cccc2C(C)C)C(C)C)N(C2CCCCC2)C2CCCCC2)c2c(cccc2C(C)C)C(C)C)[Br][Li]1([O]1CCCC1)[O]1CCCC1
• 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: 19.562 ± 0.004 Å
• b: 19.44 ± 0.004 Å
• c: 12.458 ± 0.003 Å
• α: 90°
• β: 101.64 ± 0.03°
• γ: 90°
• Cell volume: 4640.2 ± 1.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0948
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1484
• Weighted residual factors for all reflections included in the refinement: 0.1663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No