Information card for entry 7219991

Structure parameters

• Formula: C29 H28 Cl2 Hg N6 O
• Calculated formula: C29 H28 Cl2 Hg N6 O
• SMILES: [Hg]123(Cl)(Cl)[N](=C(c4[n]2cccc4)C)N=C(C(=N[N]1=C(C)c1[n]3cccc1)c1ccccc1)c1ccccc1.OC
• 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: 8.764 ± 0.0004 Å
• b: 11.8787 ± 0.0004 Å
• c: 15.0315 ± 0.0006 Å
• α: 73.615 ± 0.003°
• β: 88.714 ± 0.005°
• γ: 88.11 ± 0.006°
• Cell volume: 1500.34 ± 0.11 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No