Information card for entry 7039396

Structure parameters

• Formula: C110 H60 Ag2 B2 F48 Fe2 N2 P2
• Calculated formula: C110 H60 Ag2 B2 F48 Fe2 N2 P2
• SMILES: [B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.[N]1#C[c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[c]3([P]([Ag][N]#C[c]45[cH]6[cH]%10[cH]%11[cH]4[Fe]4%12%13%1456%10%11[c]5([P]([Ag]1)(c1ccccc1)c1ccccc1)[cH]4[cH]%12[cH]%13[cH]%145)(c1ccccc1)c1ccccc1)[cH]2[cH]7[cH]8[cH]93.[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• 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: 12.0872 ± 0.0003 Å
• b: 14.0822 ± 0.0003 Å
• c: 17.7896 ± 0.0004 Å
• α: 69.1784 ± 0.0007°
• β: 72.1205 ± 0.0007°
• γ: 83.0402 ± 0.0007°
• Cell volume: 2693.35 ± 0.11 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: 0.0422
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No