Information card for entry 7007359

Structure parameters

• Formula: C23 H24 Fe2 Se2
• Calculated formula: C23 H24 Fe2 Se2
• SMILES: [Fe]12345678([c]9([Se]CCC[Se][c]%10%11[cH]%12[Fe]%13%14%15%16%17%18%10([cH]%11[cH]%13[cH]%12%14)[cH]%10[cH]%18[cH]%17[cH]%16[cH]%15%10)[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Synthesis and characterization of Pd and Pt complexes of 1,3-bis(ferrocenylchalcogeno)propanes: crystal structures of FcSe(CH2)3SeFc and [M{FcE(CH2)3E'Fc}2](PF6)2 (M = Pd, Pt; E, E' = Se, Te; Fc = [Fe(eta5-C5H5)(eta5-C5H4)]).
• Authors of publication: Jing, Su; Morley, Christopher P.; Webster, Christopher A.; Di Vaira, Massimo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 36
• Pages of publication: 4335 - 4342
• a: 5.875 ± 0.001 Å
• b: 12.077 ± 0.002 Å
• c: 15.905 ± 0.002 Å
• α: 108.13 ± 0.01°
• β: 94.07 ± 0.01°
• γ: 92.25 ± 0.01°
• Cell volume: 1067.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0877
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 0.87
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No