Information card for entry 4334575

Structure parameters

• Formula: C46 H32 Cu2 N14 Pt S6
• Calculated formula: C46 H32 Cu2 N14 Pt S6
• SMILES: [Pt](SC#N)(SC#N)(SC#N)SC#N.[Cu]12([n]3ccccc3c3cccc[n]23)(N=C=S)[n]2c(c3[n]1cccc3)cccc2.[Cu]12([n]3ccccc3c3[n]2cccc3)(N=C=S)[n]2c(c3[n]1cccc3)cccc2
• Title of publication: Heterobimetallic Coordination Polymers Based on the [Pt(SCN)4]2- and [Pt(SeCN)4]2- Building Blocks
• Authors of publication: Masayuki Kobayashi; Didier Savard; Andrew R. Geisheimer; Ken Sakai; Daniel B. Leznoff
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 4842 - 4852
• a: 9.0049 ± 0.0013 Å
• b: 11.9725 ± 0.0017 Å
• c: 12.691 ± 0.0018 Å
• α: 68.519 ± 0.002°
• β: 87.54 ± 0.002°
• γ: 70.532 ± 0.002°
• Cell volume: 1195.5 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No