Information card for entry 4063697

Structure parameters

• Formula: C54 H68 Cl4 I4 N8 Pd2
• Calculated formula: C54 H68 Cl4 I4 N8 Pd2
• SMILES: C12N(C=CN1Cc1cc3cc(CN4C(N(C=C4)CCCC)=[Pd](=C4N(C=CN4Cc4cc5cc(CN6C(=[Pd]=2(I)I)N(CCCC)C=C6)ccc5cc4)CCCC)(I)I)ccc3cc1)CCCC.C(Cl)Cl.C(Cl)Cl
• Title of publication: Synthesis and Structure of Dinuclear Silver(I) and Palladium(II) Complexes of 2,7-Bis(methylene)naphthalene-Bridged Bis-N-Heterocyclic Carbene Ligands
• Authors of publication: Saito, Shinichi; Saika, Mitsuya; Yamasaki, Ryu; Azumaya, Isao; Masu, Hyuma
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 6
• Pages of publication: 1366
• a: 35.0351 ± 0.0008 Å
• b: 9.8429 ± 0.0002 Å
• c: 23.6265 ± 0.0006 Å
• α: 90°
• β: 130.537 ± 0.001°
• γ: 90°
• Cell volume: 6192 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No