Information card for entry 7211005

Structure parameters

• Formula: C26 H22 N6 O4
• Calculated formula: C26 H22 N6 O4
• SMILES: c12ccc3c4c(ccc(c14)C(=O)N(C2=O)CCCn1cncc1)C(=O)N(C3=O)CCCn1cncc1
• Title of publication: Manganese(ii) and copper(ii) nitrate bis-imidazole coordination polymers: dimensionality and product morphology
• Authors of publication: Richards, Victoria J.; Blake, Alexander J.; Lewis, William; Nowell, Harriott; Parmenter, Christopher D. J.; Champness, Neil R.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 45
• Pages of publication: 9704
• a: 12.2465 ± 0.0018 Å
• b: 8.9751 ± 0.0013 Å
• c: 21.857 ± 0.003 Å
• α: 90°
• β: 116.809 ± 0.006°
• γ: 90°
• Cell volume: 2144.2 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• 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: 0.11
• Residual factor for significantly intense reflections: 0.0957
• Weighted residual factors for significantly intense reflections: 0.167
• Weighted residual factors for all reflections included in the refinement: 0.173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.29
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No