Information card for entry 7211443

Structure parameters

• Formula: C44 H50 N8 O20 Zn5
• Calculated formula: C44 H50 N8 O20 Zn5
• Title of publication: Battlement-shaped 1D coordination polymer based on a bis(N-methylimidazole-2-yl)butadiyne ligand
• Authors of publication: Waidmann, Thomas; Fritsch, Nico; Tucher, Johannes; Rudolf, Marc; Glaser, Felix; Guldi, Dirk M.; Burzlaff, Nicolai
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 47
• Pages of publication: 10157
• a: 8.0568 ± 0.001 Å
• b: 10.3125 ± 0.001 Å
• c: 16.0151 ± 0.0016 Å
• α: 98.594 ± 0.008°
• β: 94.875 ± 0.009°
• γ: 93.583 ± 0.009°
• Cell volume: 1307.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0931
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No