Information card for entry 2018801

Structure parameters

• Chemical name: Bis(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato- κ<i>S</i>)platinum(IV) bis(perchlorate) 1.5-hydrate
• Formula: C6 H19 Cl2 N6 O9.5 Pt S2
• Calculated formula: C6 H19 Cl2 N6 O9.5 Pt S2
• SMILES: [Pt]12(SC#N)(SC#N)([NH2]CC[NH2]1)[NH2]CC[NH2]2.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O
• Title of publication: A one-dimensional platinum mixed-valence complex with bridging thiocyanate S atoms: [[Pt^II^(en)~2~](μ-SCN)[Pt^IV^(en)~2~](μ-SCN)](ClO~4~)~4~ (en is ethane-1,2-diamine)
• Authors of publication: Ozawa, Yoshiki; Kim, Misa; Toriumi, Koshiro
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: 146 - 149
• a: 30.515 ± 0.002 Å
• b: 8.3572 ± 0.0009 Å
• c: 7.443 ± 0.0007 Å
• α: 90°
• β: 96.507 ± 0.003°
• γ: 90°
• Cell volume: 1885.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0213
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.0407
• Weighted residual factors for all reflections included in the refinement: 0.0416
• Goodness-of-fit parameter for all reflections included in the refinement: 0.839
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes