Information card for entry 7214343

Structure parameters

• Formula: C40 H40 N8
• Calculated formula: C40 H40 N8
• SMILES: C1N(CCN(CCN(CCN(C1)Cc1ccc(cc1)C#N)Cc1ccc(cc1)C#N)Cc1ccc(cc1)C#N)Cc1ccc(cc1)C#N
• Title of publication: Self-assembly of discrete and polymeric metallosupramolecular architectures from cyclen-derived ligands
• Authors of publication: Hawes, Chris S.; Batten, Stuart R.; Turner, David R.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 18
• Pages of publication: 3737
• a: 9.1779 ± 0.0004 Å
• b: 23.8787 ± 0.0013 Å
• c: 7.9118 ± 0.0004 Å
• α: 90°
• β: 91.095 ± 0.002°
• γ: 90°
• Cell volume: 1733.6 ± 0.15 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 120.15 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No