Information card for entry 7042016

Structure parameters

• Formula: C25 H32 Br2 N4 Pd
• Calculated formula: C25 H32 Br2 N4 Pd
• SMILES: C12N(CCN1CN1C(=[Pd]=2(Br)Br)N(CC1)c1c(cc(cc1C)C)C)c1c(C)cc(cc1C)C
• Title of publication: Chelated bis(NHC) complexes of saturated (imidazolin-2-ylidene) NHC ligands: structural authentication and facile ligand fragmentation.
• Authors of publication: Gardiner, Michael G.; McGuinness, David S.; Vanston, Catriona R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 9
• Pages of publication: 3051 - 3058
• a: 12.691 ± 0.002 Å
• b: 26.883 ± 0.002 Å
• c: 7.54 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2572.4 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• 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: 0.0588
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No