Information card for entry 7019344

Structure parameters

• Formula: C24 H22 Fe N2 O2 Pd
• Calculated formula: C24 H22 Fe N2 O2 Pd
• SMILES: [Pd]12(OC(=CC(=[O]2)C)C)n2c(C(=c3[n]1ccc3)[c]13[cH]4[Fe]56789%101([cH]3[cH]6[cH]47)[cH]1[cH]5[cH]9[cH]%10[cH]81)ccc2
• 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: 23.296 ± 0.002 Å
• b: 15.0754 ± 0.0008 Å
• c: 13.9107 ± 0.0014 Å
• α: 90°
• β: 124.766 ± 0.015°
• γ: 90°
• Cell volume: 4013.3 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0657
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No