Information card for entry 7228275

Structure parameters

• Formula: C12 H11 Hg I2 N3
• Calculated formula: C12 H11 Hg I2 N3
• Title of publication: Molecular and crystalline architectures based on HgI2: from metallamacrocycles to coordination polymer
• Authors of publication: Mahmoudi, Ghodrat; Zangrando, Ennio; Bauza, Antonio; Maniukiewicz, Waldemar; Carballo, Rosa; Gurbanov, Atash V.; Frontera, Antonio
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 16.861 ± 0.002 Å
• b: 8.7293 ± 0.0008 Å
• c: 21.76 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3202.7 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.125
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.2121
• Weighted residual factors for all reflections included in the refinement: 0.238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No