Information card for entry 4068156

Structure parameters

• Formula: C28 H36 Ag2 F12 N8 P2
• Calculated formula: C28 H36 Ag2 F12 N8 P2
• SMILES: C12N(C=C3C=CC4=CN(C(N4N13)=[Ag]1[Ag]=2=C2N(C=C3C=CC4=CN(C=1N4N23)CCC)CCC)CCC)CCC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: 1,10-Phenanthroline Analogue Pyridazine-Based N-Heterocyclic Carbene Ligands
• Authors of publication: Gierz, Verena; Maichle-Mössmer, Cäcilia; Kunz, Doris
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 2
• Pages of publication: 739
• a: 10.5318 ± 0.001 Å
• b: 11.2949 ± 0.001 Å
• c: 14.6901 ± 0.0013 Å
• α: 80.927 ± 0.007°
• β: 82.4 ± 0.007°
• γ: 78.517 ± 0.007°
• Cell volume: 1681.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No