Information card for entry 4335314

Structure parameters

• Formula: C37 H56 Ag4 Cl2 I4 N4 O2 P2
• Calculated formula: C37 H56 Ag4 Cl2 I4 N4 O2 P2
• SMILES: C12N(C=CN1c1cc(ccc1)O[P](C(C)(C)C)(C(C)(C)C)[Ag]13[I]4[Ag]5=2[I]1[Ag]12[P](C(C)(C)C)(C(C)(C)C)Oc6cc(ccc6)N6C(N(C=C6)C)=[Ag]4([I]51)[I]32)C.C(Cl)Cl
• Title of publication: Complexes with Hybrid Phosphorus-NHC Ligands: Pincer-Type Ir Hydrides, Dinuclear Ag and Ir and Tetranuclear Cu and Ag Complexes
• Authors of publication: Xianghao Liu; Pierre Braunstein
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 7367 - 7379
• a: 20.4549 ± 0.0006 Å
• b: 12.3814 ± 0.0002 Å
• c: 25.1919 ± 0.0006 Å
• α: 90°
• β: 123.518 ± 0.002°
• γ: 90°
• Cell volume: 5319.2 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• 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: 0.0998
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1502
• Weighted residual factors for all reflections included in the refinement: 0.1667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No