Information card for entry 7039391

Structure parameters

• Formula: C94 H72 Ag2 Fe4 N6 P4 S2
• Calculated formula: C94 H72 Ag2 Fe4 N6 P4 S2
• SMILES: [Ag]1([P]([c]23[cH]4[Fe]56789%102([cH]2[cH]7[c]6([cH]8[cH]52)C#N)[cH]3[cH]9[cH]4%10)(c2ccccc2)c2ccccc2)([P]([c]23[cH]4[Fe]56789%102([c]2([cH]5[cH]6[cH]7[cH]82)C#N)[cH]3[cH]9[cH]4%10)(c2ccccc2)c2ccccc2)SC#[N][Ag]([P]([c]23[cH]4[Fe]56789%102([c]2([cH]5[cH]6[cH]7[cH]82)C#N)[cH]3[cH]9[cH]4%10)(c2ccccc2)c2ccccc2)([P]([c]23[cH]4[Fe]56789%102([c]2([cH]5[cH]6[cH]7[cH]82)C#N)[cH]3[cH]9[cH]4%10)(c2ccccc2)c2ccccc2)SC#[N]1
• 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: 12.4899 ± 0.0004 Å
• b: 13.2576 ± 0.0004 Å
• c: 13.7984 ± 0.0004 Å
• α: 104.055 ± 0.001°
• β: 111.698 ± 0.001°
• γ: 96.545 ± 0.001°
• Cell volume: 2006.06 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.0533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No