Information card for entry 7228267

Structure parameters

• Common name: 36G
• Chemical name: 36G
• Formula: C24 H20 Hg2 N14 O3
• Calculated formula: C24 H20 Hg2 N14 O3
• Title of publication: Polar protic solvent-trapping polymorphism of the HgII-hydrazone coordination polymer: experimental and theoretical findings
• Authors of publication: Mahmoudi, Ghodrat; Khandar, AliAkbar; White, Jonathan; Mitoraj, Mariusz Paweł; Sekhar Jena, Himanshu; Van Der Voort, Pascal; Qureshi, Naseem; Kirillov, Alexander; Robeyns, Koen; Safin, Damir
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 14.9694 ± 0.0008 Å
• b: 12.3482 ± 0.0006 Å
• c: 15.9191 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2942.6 ± 0.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1053
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No