Information card for entry 7228266

Structure parameters

• Formula: C14 H14 Hg N7 O1.5
• Calculated formula: C14 H14 Hg N7 O1.5
• 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: 8.1973 ± 0.0002 Å
• b: 14.0633 ± 0.0003 Å
• c: 14.2839 ± 0.0003 Å
• α: 90°
• β: 96.485 ± 0.002°
• γ: 90°
• Cell volume: 1636.13 ± 0.06 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0238
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.0417
• Weighted residual factors for all reflections included in the refinement: 0.0436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No