Information card for entry 7026662

Structure parameters

• Formula: C24 H22 Fe Hg N2 S2
• Calculated formula: C24 H22 Fe Hg N2 S2
• SMILES: c1(ccccc1)[Hg]1SC(=[S]1)N(Cc1ccncc1)C[c]12[Fe]3456789([cH]([cH]24)[cH]9[cH]13)[cH]1[cH]7[cH]6[cH]8[cH]51
• Title of publication: Efficient phenylmercury(II) methylferrocenyldithiocarbamate functionalized dye-sensitized solar cells.
• Authors of publication: Singh, Vikram; Chauhan, Ratna; Kumar, Abhinav; Bahadur, Lal; Singh, Nanhai
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 41
• Pages of publication: 9779 - 9788
• a: 13.168 ± 0.005 Å
• b: 9.877 ± 0.005 Å
• c: 33.294 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 4330 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1135
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.1902
• Weighted residual factors for all reflections included in the refinement: 0.2061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No