Information card for entry 2221428

Structure parameters

• Common name: [Ba(diaza-18-crown-6)][Pt(CN)~4~] 0.5 H~2~O
• Chemical name: Poly[[tri-μ-cyanido-cyanido(1,4,10,13-tetraoxa-7,16- diazacyclooctadecane)barium(II)platinum(II)] hemihydrate]
• Formula: C16 H27 Ba N6 O4.5 Pt
• Calculated formula: C16 H27 Ba N6 O4.5 Pt
• Title of publication: Poly[[tri-μ-cyanido-cyanido(1,4,10,13-tetraoxa-7,16-diazacyclooctadecane)barium(II)platinum(II)] hemihydrate]
• Authors of publication: Olmstead, Marilyn M.; Beavers, Christine M.; Paw U, Latisha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: m408 - m409
• a: 7.6781 ± 0.0004 Å
• b: 14.8881 ± 0.0009 Å
• c: 20.2325 ± 0.0012 Å
• α: 90°
• β: 93.254 ± 0.002°
• γ: 90°
• Cell volume: 2309.1 ± 0.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0145
• Residual factor for significantly intense reflections: 0.0134
• Weighted residual factors for significantly intense reflections: 0.0316
• Weighted residual factors for all reflections included in the refinement: 0.032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes