Information card for entry 4088986

Structure parameters

• Formula: C42 H31 As2 Br2 Cl Pt
• Calculated formula: C42 H26 As2 Br2 Cl Pt
• Title of publication: Molecular Shape Recognition by Using a Switchable Luminescent Nonporous Molecular Crystal
• Authors of publication: Imoto, Hiroaki; Tanaka, Susumu; Kato, Takuji; Yumura, Takashi; Watase, Seiji; Matsukawa, Kimihiro; Naka, Kensuke
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 21
• Pages of publication: 3647
• a: 9.0753 ± 0.0003 Å
• b: 9.9531 ± 0.0003 Å
• c: 10.7614 ± 0.0003 Å
• α: 100.763 ± 0.0007°
• β: 94.6827 ± 0.001°
• γ: 100.088 ± 0.001°
• Cell volume: 933.59 ± 0.05 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0476
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No