Information card for entry 7228268

Structure parameters

• Formula: C15 H17 Hg N7 O2
• Calculated formula: C15 H17 Hg N7 O2
• 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: 10.3282 ± 0.0015 Å
• b: 14.3823 ± 0.0017 Å
• c: 11.7472 ± 0.0016 Å
• α: 90°
• β: 99.721 ± 0.007°
• γ: 90°
• Cell volume: 1719.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1663
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No