Information card for entry 2205910

Structure parameters

• Chemical name: catena-Poly[[diaqua(1,4,7,10,13,16-hexaoxacyclooctadecane)barium(II)]- μ-cyano-[dicyanoplatinum(II)]-μ-cyano]
• Formula: C16 H28 Ba N4 O8 Pt
• Calculated formula: C16 H28 Ba N4 O8 Pt
• SMILES: [Pt](C#N)(C#N)(C#N)C#N.[Ba]12345([O]6CC[O]5CC[O]4CC[O]3CC[O]2CC[O]1CC6)([OH2])[OH2]
• Title of publication: <i>catena</i>-Poly[[diaqua(1,4,7,10,13,16-hexaoxacyclooctadecane)barium(II)]-μ-cyano-[dicyanoplatinum(II)]-μ-cyano]
• Authors of publication: Olmstead, Marilyn M.; Lee, Moses A.; Stork, Jay R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m1048 - m1050
• a: 10.8458 ± 0.0006 Å
• b: 17.0539 ± 0.0009 Å
• c: 25.9179 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4793.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0291
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.0356
• Weighted residual factors for all reflections included in the refinement: 0.0394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes