Information card for entry 2211339

Structure parameters

• Chemical name: Tris(1,10-phenanthroline)nickel(II) di-iodo-bis(diiodomercurate) N,N'-dimethylformamide monohydrate
• Formula: C39 H33 Hg2 I6 N7 Ni O2
• Calculated formula: C39 H33 Hg2 I6 N7 Ni O2
• SMILES: [Hg]1(I)(I)[I][Hg]([I]1)(I)I.[Ni]123([n]4cccc5ccc6ccc[n]1c6c45)([n]1cccc4ccc5ccc[n]2c5c14)[n]1cccc2ccc4ccc[n]3c4c12.CN(C)C=O.O
• Title of publication: Tris(1,10-phenanthroline)nickel(II) di-μ-iodo-bis(diiodomercurate) <i>N</i>,<i>N</i>-dimethylformamide solvate monohydrate
• Authors of publication: Hua Fang; Xuya Dai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3565 - m3566
• a: 12.6312 ± 0.0017 Å
• b: 18.756 ± 0.003 Å
• c: 20.197 ± 0.003 Å
• α: 90°
• β: 96.846 ± 0.002°
• γ: 90°
• Cell volume: 4750.8 ± 1.2 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes