Information card for entry 2222722

Structure parameters

• Chemical name: Dichlorido(2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')mercury(II) acetonitrile hemisolvate
• Formula: C27 H21.5 Cl2 Hg N2.5
• Calculated formula: C27 H21.5 Cl2 Hg N2.5
• SMILES: [Hg]1(Cl)(Cl)[n]2c(C)cc(c3ccccc3)c3ccc4c(c5ccccc5)cc([n]1c4c23)C.N#CC
• Title of publication: Dichlorido(2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')mercury(II) acetonitrile hemisolvate
• Authors of publication: Ahmadi, Roya; Kalateh, Khadijeh; Alizadeh, Robabeh; Khoshtarkib, Zeinab; Amani, Vahid
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m848 - m849
• a: 11.7514 ± 0.0006 Å
• b: 14.1283 ± 0.0007 Å
• c: 16.1311 ± 0.0008 Å
• α: 107.537 ± 0.004°
• β: 101.924 ± 0.004°
• γ: 100.138 ± 0.004°
• Cell volume: 2415.8 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes