Information card for entry 7221020

Structure parameters

• Formula: C75 H66 Cd2 Cl9 N13 O15
• Calculated formula: C72 H63 Cd2 N13 O15
• 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: 15.0312 ± 0.0009 Å
• b: 25.4508 ± 0.0011 Å
• c: 21.7048 ± 0.0012 Å
• α: 90°
• β: 92.051 ± 0.004°
• γ: 90°
• Cell volume: 8298 ± 0.8 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1228
• Residual factor for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections: 0.2753
• Weighted residual factors for significantly intense reflections: 0.2242
• Weighted residual factors for all reflections included in the refinement: 0.2753
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9871
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No