Information card for entry 7039387

Structure parameters

• Formula: C104 H96 Ag4 Fe4 I4 N4 O6 P4
• Calculated formula: C100 H88 Ag4 Fe4 I4 N4 O4 P4
• SMILES: [I]12[Ag]34([P]([c]56[cH]7[Fe]89%10%11%12%135([c]5([cH]8[cH]9[cH]%10[cH]%115)C#N)[cH]7[cH]%12[cH]6%13)(c5ccccc5)c5ccccc5)[I]5[Ag]24([I]2[Ag]41([I]3[Ag]524[P]([c]12[cH]3[Fe]4567891([c]1([cH]4[cH]5[cH]6[cH]71)C#N)[cH]3[cH]8[cH]29)(c1ccccc1)c1ccccc1)[P]([c]12[cH]3[Fe]4567891([c]1([cH]4[cH]5[cH]6[cH]71)C#N)[cH]3[cH]8[cH]29)(c1ccccc1)c1ccccc1)[P]([c]12[cH]3[Fe]4567891([c]1([cH]4[cH]5[cH]6[cH]71)C#N)[cH]3[cH]8[cH]29)(c1ccccc1)c1ccccc1.CC(=O)OCC.CC(=O)OCC
• Title of publication: Silver(i) complexes with 1'-(diphenylphosphino)-1-cyanoferrocene: the art of improvisation in coordination.
• Authors of publication: Škoch, Karel; Uhlík, Filip; Císařová, Ivana; Štěpnička, Petr
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 26
• Pages of publication: 10655 - 10671
• a: 32.5006 ± 0.0006 Å
• b: 12.0171 ± 0.0002 Å
• c: 26.2756 ± 0.0004 Å
• α: 90°
• β: 97.249 ± 0.001°
• γ: 90°
• Cell volume: 10180.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.0376
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No