Information card for entry 4328978

Structure parameters

• Formula: C58 H96 As4 I2 O18 Pt
• Calculated formula: C58 H96 As4 I2 O18 Pt
• SMILES: C(=O)(OC(C)(C)C)C1=C([As](C)C(=C([As]1([Pt](I)(I)[As]1(C)C(=C([As](C)C(=C1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.O=C(C)C.O=C(C)C
• Title of publication: Organic Vapor Triggered Repeatable On-Off Crystalline-State Luminescence Switching
• Authors of publication: Kensuke Naka; Takuji Kato; Seiji Watase; Kimihiro Matsukawa
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 4420 - 4422
• a: 10.8098 ± 0.0003 Å
• b: 13.4616 ± 0.0004 Å
• c: 14.4935 ± 0.0006 Å
• α: 71.4074 ± 0.0014°
• β: 67.7622 ± 0.0014°
• γ: 89.1939 ± 0.001°
• Cell volume: 1836.59 ± 0.11 ų
• Cell temperature: 296.1 K
• Ambient diffraction temperature: 296.1 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 significantly intense reflections: 0.0391
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No