Information card for entry 2208689

Structure parameters

• Common name: Bis(N-ethylethylenediamine-κ^2^N,N')copper(II)‒hexacyanocobalt(III)‒water (3/2/4)
• Chemical name: poly[[tetracyano-octa-μ-cyano-hexakis(N- ethylethylenediamine)tricopper(II)dicobalt(II)] tetrahydrate]
• Formula: C36 H80 Co2 Cu3 N24 O4
• Calculated formula: C36 H80 Co2 Cu3 N24 O4
• SMILES: [Cu]12([N]#C[Co](C#[N][Cu]34([NH2]CC[NH]3CC)[NH2]CC[NH]4CC)(C#N)(C#N)(C#N)C#N)([NH2]CC[NH]1CC)[NH2]CC[NH]2CC.[Cu]12([N]#C[Co](C#[N][Cu]34([NH2]CC[NH]3CC)[NH2]CC[NH]4CC)(C#N)(C#N)(C#N)C#N)([NH2]CC[NH]1CC)[NH2]CC[NH]2CC.[Cu]12([NH](CC[NH2]1)CC)([NH2]CC[NH]2CC)([N]#C[Co](C#N)(C#N)(C#N)(C#N)C#[N][Cu]12([NH2]CC[NH]1CC)[NH2]CC[NH]2CC)[N]#C[Co](C#N)(C#N)(C#N)(C#N)C#N.O.O.O.O.O.O.O.O
• Title of publication: Bis(<i>N</i>-ethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II)‒hexacyanocobaltate(III)‒water (3/2/4): a two-dimensional ladder structure of a bimetallic assembly
• Authors of publication: Akitsu, Takashiro; Einaga, Yasuaki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: m750 - m752
• a: 9.9783 ± 0.0011 Å
• b: 11.976 ± 0.003 Å
• c: 12.06 ± 0.002 Å
• α: 78.131 ± 0.015°
• β: 82.769 ± 0.011°
• γ: 88.851 ± 0.012°
• Cell volume: 1399.1 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No