Information card for entry 7226569

Structure parameters

• Formula: C34 H30 Cl2 Hg N6 O4
• Calculated formula: C34 H30 Cl2 Hg N6 O4
• Title of publication: Molecular tectonics: homochiral coordination polymers based on pyridyl-substituted cyclic tetrapeptides
• Authors of publication: Ganß, Alexander; Xu, Chaojie; Guenet, Aurélie; Kelm, Harald; Kyritsakas, Nathalie; Planeix, Jean-Marc; Kubik, Stefan; Hosseini, Mir Wais
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 40
• Pages of publication: 7685
• a: 23.604 ± 0.004 Å
• b: 4.9826 ± 0.0008 Å
• c: 18.294 ± 0.003 Å
• α: 90°
• β: 124.204 ± 0.003°
• γ: 90°
• Cell volume: 1779.4 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No