Information card for entry 7019342

Structure parameters

• Formula: C45 H41 Cl4 Co Fe2 N4 O2
• Calculated formula: C45 H41 Cl4 Co Fe2 N4 O2
• SMILES: [cH]12[cH]3[Fe]4567891([c]1([cH]6[cH]7[cH]5[cH]41)C1=c4[n]([Co]56(n7c(C(=c%10[n]5ccc%10)[c]5%10[cH]%11[Fe]%12%13%14%15%16%175([cH]%10[cH]%13[cH]%11%12)[cH]5[cH]%16[cH]%14[cH]%15[cH]%175)ccc7)([O]=C(C=C(O6)C)C)n5c1ccc5)ccc4)[cH]3[cH]9[cH]28.ClCCl.ClCCl
• Title of publication: Synthesis of electroactive multinuclear dipyrrinato complexes and Fe(iii) assisted formation of α-alkoxy substituted 5-ferrocenyldipyrromethenes.
• Authors of publication: Gupta, Rakesh Kumar; Pandey, Rampal; Sharma, Sanjeev; Pandey, Daya Shankar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 28
• Pages of publication: 8556 - 8566
• a: 10.2094 ± 0.0007 Å
• b: 31.69 ± 0.003 Å
• c: 13.2083 ± 0.0011 Å
• α: 90°
• β: 96.695 ± 0.007°
• γ: 90°
• Cell volume: 4244.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0973
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No