Information card for entry 7024495

Structure parameters

• Formula: C25 H23 Fe Hg N S2
• Calculated formula: C25 H23 Fe Hg N S2
• SMILES: c1cccc([Hg]2[S]=C(S2)N(C[c]23[Fe]456789%10([cH]%11[cH]7[cH]6[cH]9[cH]8%11)[cH]2[cH]%10[cH]5[cH]34)Cc2ccccc2)c1
• Title of publication: Syntheses, crystal, photoluminescence and electrochemical investigation of some new phenylmercury(II) dithiocarbamate complexes involving ferrocene.
• Authors of publication: Singh, Nanhai; Kumar, Abhinav; Prasad, Rajendra; Molloy, Kieran C.; Mahon, Mary F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 10
• Pages of publication: 2667 - 2675
• a: 13.2728 ± 0.0014 Å
• b: 10.1535 ± 0.0011 Å
• c: 33.692 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4540.5 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.076
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1473
• Weighted residual factors for all reflections included in the refinement: 0.1638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No