Information card for entry 7108772

Structure parameters

• Formula: C62 H72 Cl2 Co N12 O10
• Calculated formula: C62 H72 Cl2 Co N12 O10
• SMILES: [Co]1234([n]5ccccc5c5[n]1c(cc(c1ccc(C(=O)O)cc1)c5)c1[n]2cccc1)[n]1c(c2[n]3c(c3[n]4cccc3)cc(c3ccc(C(=O)O)cc3)c2)cccc1.[Cl-].[Cl-].O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C
• Title of publication: Fluorescent hydrogel formation from carboxyphenyl-terpyridine
• Authors of publication: Ashleigh Griffith; Thomas J. Bandy; Mark Light; Eugen Stulz
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 731
• a: 8.7683 ± 0.0015 Å
• b: 18.903 ± 0.003 Å
• c: 19.765 ± 0.004 Å
• α: 76.568 ± 0.01°
• β: 80.43 ± 0.01°
• γ: 85.719 ± 0.011°
• Cell volume: 3139.8 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.2688
• Residual factor for significantly intense reflections: 0.1998
• Weighted residual factors for significantly intense reflections: 0.4262
• Weighted residual factors for all reflections included in the refinement: 0.4543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No