Information card for entry 7039388

Structure parameters

• Formula: C96 H76 Ag4 Cl12 Fe4 I4 N4 P4
• Calculated formula: C96 H76 Ag4 Cl12 Fe4 I4 N4 P4
• SMILES: [I]12[Ag]3([P]([c]45[cH]6[Fe]789%10%11%125([c]5([cH]8[cH]9[cH]%10[cH]%115)C#N)[cH]6[cH]%12[cH]47)(c4ccccc4)c4ccccc4)[I]4[Ag]2([I]2[Ag]1([I]3[Ag]42[P]([c]12[Fe]3456789([c]%10([cH]6[cH]5[cH]4[cH]3%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]3[cH]8[cH]29)(c1ccccc1)c1ccccc1)[P]([c]12[Fe]3456789([c]%10([cH]6[cH]5[cH]4[cH]3%10)C#N)[cH]1[cH]7[cH]8[cH]29)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• 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: 33.0189 ± 0.0007 Å
• b: 12.0454 ± 0.0003 Å
• c: 26.0476 ± 0.0006 Å
• α: 90°
• β: 99.743 ± 0.001°
• γ: 90°
• Cell volume: 10210.4 ± 0.4 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: 0.0374
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No