Information card for entry 7009421

Structure parameters

• Formula: C54 H38 F12 N6 Ni O P2
• Calculated formula: C62.25 H38 F12 N6 Ni O P2
• 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: 16.5047 ± 0.0004 Å
• b: 17.1444 ± 0.0004 Å
• c: 20.3835 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5767.8 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 55
• Hermann-Mauguin space group symbol: P b a m
• Hall space group symbol: -P 2 2ab
• Residual factor for all reflections: 0.176
• Residual factor for significantly intense reflections: 0.1243
• Weighted residual factors for significantly intense reflections: 0.2877
• Weighted residual factors for all reflections included in the refinement: 0.3072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.77
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No