Information card for entry 7017232

Structure parameters

• Formula: C13 H8 N2 S5 Zn
• Calculated formula: C13 H8 N2 S5 Zn
• Title of publication: Neutral coordination polymers based on a metal-mono(dithiolene) complex: synthesis, crystal structure and supramolecular chemistry of [Zn(dmit)(4,4'-bpy)](n), [Zn(dmit)(4,4'-bpe)](n) and [Zn(dmit)(bix)](n) (4,4'-bpy = 4,4'-bipyridine, 4,4'-bpe = trans-1,2-bis(4-pyridyl)ethene, bix = 1,4-bis(imidazole-1-ylmethyl)-benzene.
• Authors of publication: Madhu, Vedichi; Das, Samar K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 48
• Pages of publication: 12901 - 12908
• a: 9.1288 ± 0.0016 Å
• b: 14.655 ± 0.003 Å
• c: 11.67 ± 0.002 Å
• α: 90°
• β: 101.561 ± 0.003°
• γ: 90°
• Cell volume: 1529.6 ± 0.5 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: 0.0687
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No