Information card for entry 7039384

Structure parameters

• Formula: C92 H74 Ag4 Cl4 Fe4 N4 O P4
• Calculated formula: C92 H74 Ag4 Cl4 Fe4 N4 O P4
• SMILES: [Ag]12([Cl]3[Ag]4([Cl]1[Ag]1([Cl]4[Ag]3([Cl]21)[P]([c]12[cH]3[Fe]4567891([c]1([cH]4[cH]5[cH]6[cH]71)C#N)[cH]2[cH]8[cH]39)(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[Fe]3456789([c]%10([cH]3[cH]4[cH]5[cH]6%10)C#N)[cH]1[cH]7[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]2[cH]8[cH]39)(c1ccccc1)c1ccccc1.O
• 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: 14.2409 ± 0.0003 Å
• b: 15.5678 ± 0.0004 Å
• c: 20.0839 ± 0.0004 Å
• α: 75.549 ± 0.001°
• β: 83.888 ± 0.001°
• γ: 75.671 ± 0.001°
• Cell volume: 4172.84 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0516
• Weighted residual factors for all reflections included in the refinement: 0.0579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No