Information card for entry 4312769

Structure parameters

• Formula: C12 H8 N4 Pt S2
• Calculated formula: C12 H8 N4 Pt S2
• SMILES: [Pt]1([n]2c(c3[n]1cccc3)cccc2)(N=C=S)N=C=S
• Title of publication: Thermal and Photo Control of the Linkage Isomerism of Bis(thiocyanato)(2,2'-bipyridine)platinum(II)
• Authors of publication: Shinobu Kishi; Masako Kato
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 8728 - 8734
• a: 10.3233 ± 0.0008 Å
• b: 19.973 ± 0.002 Å
• c: 6.454 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1330.7 ± 0.2 ų
• Cell temperature: 173.2 K
• Number of distinct elements: 5
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.257
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No