Information card for entry 7219990

Structure parameters

• Formula: C26 H20 Hg I2 N6
• Calculated formula: C26 H20 Hg I2 N6
• SMILES: [Hg]1(I)([n]2ccccc2C=[N]1/N=C(c1ccccc1)\C(c1ccccc1)=N/N=C/c1ccccn1)I
• Title of publication: From monomers to polymers: steric and supramolecular effects on dimensionality of coordination architectures of heteroleptic mercury(ii) halogenide‒tetradentate Schiff base complexes
• Authors of publication: Mahmoudi, Ghodrat; Stilinović, Vladimir; Gargari, Masoumeh Servati; Bauzá, Antonio; Zaragoza, Guillermo; Kaminsky, Werner; Lynch, Vincent; Choquesillo-Lazarte, Duane; Sivakumar, K.; Khandar, Ali Akbar; Frontera, Antonio
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 18
• Pages of publication: 3493
• a: 9.7571 ± 0.0006 Å
• b: 11.5338 ± 0.0008 Å
• c: 14.2949 ± 0.0012 Å
• α: 68.98 ± 0.004°
• β: 83.774 ± 0.004°
• γ: 68.968 ± 0.003°
• Cell volume: 1401.23 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1169
• Residual factor for significantly intense reflections: 0.0922
• Weighted residual factors for significantly intense reflections: 0.2389
• Weighted residual factors for all reflections included in the refinement: 0.2643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No