Information card for entry 7221019

Structure parameters

• Formula: C82 H85 Cd2 N13 O16
• Calculated formula: C82 H85 Cd2 N13 O16
• Title of publication: Manipulating connecting nodes through remote alkoxy chain variation in coordination networks with 4′-alkoxy-4,2′:6′,4′′-terpyridine linkers
• Authors of publication: Klein, Y. Maximilian; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 34
• Pages of publication: 6483
• a: 13.1304 ± 0.0007 Å
• b: 16.5224 ± 0.0009 Å
• c: 19.2845 ± 0.001 Å
• α: 83.67 ± 0.003°
• β: 82.84 ± 0.003°
• γ: 70.242 ± 0.003°
• Cell volume: 3896.3 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections: 0.1228
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No