Information card for entry 7009418

Structure parameters

• Formula: C58 H46 Co F12 N6 O P2
• Calculated formula: C58 H46 Co F12 N6 O P2
• SMILES: [Co]1234([n]5ccccc5c5[n]1c(cc(c5)c1ccc(cc1)c1ccccc1)c1[n]2cccc1)[n]1ccccc1c1[n]3c(cc(c1)c1ccc(cc1)c1ccccc1)c1[n]4cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].C1OCCC1
• Title of publication: Red and blue luminescent metallo-supramolecular coordination polymers assembled through π‒π interactions †
• Authors of publication: Alcock, Nathaniel W.; Barker, Philip R.; Haider, Johanna M.; Hannon, Michael J.; Painting, Claire L.; Pikramenou, Zoe; Plummer, Edward A.; Rissanen, Kari; Saarenketo, Pauli
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 9
• Pages of publication: 1447
• a: 22.6852 ± 0.0017 Å
• b: 16.9553 ± 0.0013 Å
• c: 16.2765 ± 0.0012 Å
• α: 90°
• β: 120.658 ± 0.001°
• γ: 90°
• Cell volume: 5385.4 ± 0.7 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1714
• Residual factor for significantly intense reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.1958
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No