Information card for entry 7039393

Structure parameters

• Formula: C46 H36 Ag2 Cl2 Fe2 N2 O8 P2
• Calculated formula: C46 H36 Ag2 Cl2 Fe2 N2 O8 P2
• SMILES: [Ag]1([N]#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]1(c1ccccc1)c1ccccc1)[cH]4[cH]%12[cH]%13[cH]%145)OCl(=O)(=O)=O)(c1ccccc1)c1ccccc1)[cH]2[cH]7[cH]8[cH]93)OCl(=O)(=O)=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: 8.4383 ± 0.0002 Å
• b: 11.2773 ± 0.0003 Å
• c: 22.8008 ± 0.0005 Å
• α: 90°
• β: 97.694 ± 0.001°
• γ: 90°
• Cell volume: 2150.22 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections included in the refinement: 0.0561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No