Information card for entry 7219989

Structure parameters

• Formula: C34 H25 Br2 Hg N5 O
• Calculated formula: C34 H25 Br2 Hg N5 O
• SMILES: Br[Hg]1(Br)[n]2ccccc2C=[N]1/N=C(c1ccccc1)\C(c1ccccc1)=N/N=C(/c1ccccc1)C(=O)c1ccccc1
• 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: 9.3733 ± 0.0007 Å
• b: 35.998 ± 0.002 Å
• c: 9.8847 ± 0.0006 Å
• α: 90°
• β: 104.978 ± 0.007°
• γ: 90°
• Cell volume: 3222 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1233
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0402
• Weighted residual factors for all reflections included in the refinement: 0.0456
• Goodness-of-fit parameter for all reflections included in the refinement: 0.681
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No