Information card for entry 7017233

Structure parameters

• Formula: C60 H42 N8 O2 S20 Zn4
• Calculated formula: C60 H40 N8 O2 S20 Zn4
• 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: 9.211 ± 0.002 Å
• b: 19.641 ± 0.004 Å
• c: 20.97 ± 0.005 Å
• α: 105.288 ± 0.003°
• β: 97.714 ± 0.004°
• γ: 94.959 ± 0.004°
• Cell volume: 3596.8 ± 1.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2231
• Residual factor for significantly intense reflections: 0.0873
• Weighted residual factors for significantly intense reflections: 0.1813
• Weighted residual factors for all reflections included in the refinement: 0.2424
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No