Information card for entry 7029951

Structure parameters

• Formula: C18 H28 I2 N4 O2
• Calculated formula: C18 H28 I2 N4 O2
• SMILES: n1(c[n+](cc1)[C@@H]1[C@H]2OC[C@@H]([C@H]2OC1)n1c[n+](cc1)C(C)C)C(C)C.[I-].[I-]
• Title of publication: Chiral Ag(I) and Pt(II) complexes of ditopic NHC ligands: synthesis, structural and spectroscopic properties.
• Authors of publication: Marshall, Paul; Jenkins, Robert L.; Clegg, William; Harrington, Ross W.; Callear, Samantha K.; Coles, Simon J.; Fallis, Ian A.; Dervisi, Athanasia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 41
• Pages of publication: 12839 - 12846
• a: 8.9301 ± 0.0002 Å
• b: 10.8793 ± 0.0002 Å
• c: 23.2605 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2259.83 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No