Information card for entry 7022715

Structure parameters

• Formula: C36 H52 I2 N4 O2
• Calculated formula: C36 H52 I2 N4 O2
• SMILES: [I-].[I-].O1CCCC1.O1CCCC1.n1(c[n+](cc1)Cn1c[n+](cc1)c1c(cc(cc1C)C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Selective and adaptable access to N,N'-asymmetrically substituted imidazol-2-ylidene bis-NHC ligands: Pd(II) complexes featuring wide variation in N-alkyl and aryl steric bulk.
• Authors of publication: Gardiner, Michael G.; Ho, Curtis C.; Mackay, Felicity M.; McGuinness, David S.; Tucker, Matthew
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 20
• Pages of publication: 7447 - 7457
• a: 17.413 ± 0.0012 Å
• b: 12.405 ± 0.0016 Å
• c: 17.896 ± 0.0008 Å
• α: 90°
• β: 91.474 ± 0.006°
• γ: 90°
• Cell volume: 3864.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0895
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No