Information card for entry 7215841

Structure parameters

• Formula: C20 H20 N4
• Calculated formula: C20 H20 N4
• SMILES: C(#N)c1ccc(cc1)CN1CCN(Cc2ccc(C#N)cc2)CC1
• Title of publication: The influence of anion, ligand geometry and stoichiometry on the structure and dimensionality of a series of AgI-bis(cyanobenzyl)piperazine coordination polymers
• Authors of publication: Beeching, Lianna J.; Hawes, Chris S.; Turner, David R.; Batten, Stuart R.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 28
• Pages of publication: 6459
• a: 6.5627 ± 0.0005 Å
• b: 8.2007 ± 0.0007 Å
• c: 8.5966 ± 0.0007 Å
• α: 83.164 ± 0.004°
• β: 71.318 ± 0.003°
• γ: 71.589 ± 0.003°
• Cell volume: 415.77 ± 0.06 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No