Information card for entry 4329679

Structure parameters

• Formula: C26 H36 N8 O8 Pt S2
• Calculated formula: C26 H36 N8 O8 Pt S2
• SMILES: [Pt]1([n]2c(c3[n]1ccc(c3)C(=O)O)cc(cc2)C(=O)O)(N=C=S)N=C=S.O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C
• 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: 6.893 ± 0.003 Å
• b: 14.818 ± 0.007 Å
• c: 16.875 ± 0.009 Å
• α: 96.599 ± 0.008°
• β: 101.44 ± 0.008°
• γ: 94.349 ± 0.008°
• Cell volume: 1669.6 ± 1.4 ų
• Cell temperature: 150.1 K
• Ambient diffraction temperature: 150.1 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: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No