Information card for entry 2019597

Structure parameters

• Chemical name: <i>catena</i>-poly[bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(1,1,3,3-tetracyano-2-ethoxypropenido-κ<i>N</i>)copper(II)]-μ~4~-hexane-1,6-dioato-κ^6^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1^:<i>O</i>^6^,<i>O</i>^6'^:<i>O</i>^6^]
• Formula: C44 H34 Cu2 N12 O6
• Calculated formula: C44 H34 Cu2 N12 O6
• SMILES: [Cu]12([n]3c(c4[n]1cccc4)cccc3)(N=C=C(C(=C(C#N)C#N)OCC)C#N)[O]([Cu]1([n]3c(c4[n]1cccc4)cccc3)(N=C=C(C(=C(C#N)C#N)OCC)C#N)[O]2C(=O)CCCC(=O)[O-])C(=O)CCCCC(=O)[O]([Cu]1([n]2c(c3[n]1cccc3)cccc2)N=C=C(C(=C(C#N)C#N)OCC)C#N)[Cu]1([n]2c(c3[n]1cccc3)cccc2)N=C=C(C(=C(C#N)C#N)OCC)C#N
• Title of publication: Coordination polymer chains built from Cu^II^ and adipate ions linked by hydrogen bonds to form a three-dimensional framework structure
• Authors of publication: Setifi, Zouaoui; Boutebdja, Mehdi; Setifi, Fatima; Merazig, Hocine; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 7
• Pages of publication: 702 - 706
• a: 8.8825 ± 0.0003 Å
• b: 10.561 ± 0.0004 Å
• c: 12.2541 ± 0.0005 Å
• α: 71.724 ± 0.003°
• β: 80.582 ± 0.004°
• γ: 84.974 ± 0.003°
• Cell volume: 1076.03 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes