Information card for entry 7022717

Structure parameters

• Formula: C38 H52 Cl2 I2 N8 O2 Pd2
• Calculated formula: C38 H50 Cl2 I2 N8 O2 Pd2
• SMILES: C12N(C=CN2CN2C(=[Pd]3=1=C1N(C=CN1CN1C=3N(C=C1)c1c(cc(cc1C)C)C)C)N(C=C2)C)c1c(C)cc(cc1C)C.I[Pd](I)(Cl)Cl.C(C)OCC.O
• 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: 18.854 ± 0.002 Å
• b: 19.529 ± 0.002 Å
• c: 12.14 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4469.9 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1868
• Weighted residual factors for all reflections included in the refinement: 0.1989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No