Information card for entry 7021203

Structure parameters

• Formula: C56 H112 I N6 O17 Pt S2
• Calculated formula: C56 H112 I N6 O17 Pt S2
• Title of publication: Smallest optical gap for quasi-one-dimensional iodo-bridged platinum compounds.
• Authors of publication: Shin, Minseob; Takaishi, Shinya; Kumagai, Shohei; Ueda, Yutaro; Breedlove, Brian K.; Matsuzaki, Hiroyuki; Okamoto, Hiroshi; Wakabayashi, Yusuke; Yamashita, Masahiro
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 18
• Pages of publication: 6277 - 6280
• a: 82.21 ± 0.02 Å
• b: 5.4906 ± 0.0015 Å
• c: 7.579 ± 0.002 Å
• α: 90°
• β: 94.149 ± 0.005°
• γ: 90°
• Cell volume: 3412.1 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0901
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.1978
• Weighted residual factors for all reflections included in the refinement: 0.2248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No