Information card for entry 4329678

Structure parameters

• Formula: C14 H8 N4 O4 Pt S2
• Calculated formula: C14 H8 N4 O4 Pt S2
• SMILES: [Pt]1([n]2c(c3[n]1ccc(c3)C(=O)O)cc(cc2)C(=O)O)(SC#N)N=C=S
• Title of publication: Vapor-Controlled Linkage Isomerization of a Vapochromic Bis(thiocyanato)platinum(II) Complex: New External Stimuli To Control Isomerization Behavior
• Authors of publication: Atsushi Kobayashi; Yuki Fukuzawa; Ho-Chol Chang; Masako Kato
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 7508 - 7519
• a: 7.541 ± 0.002 Å
• b: 9.18 ± 0.003 Å
• c: 22.269 ± 0.007 Å
• α: 90°
• β: 98.7993 ± 0.0013°
• γ: 90°
• Cell volume: 1523.5 ± 0.8 ų
• Cell temperature: 153.1 K
• Ambient diffraction temperature: 153.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No