Information card for entry 7226142

Structure parameters

• Formula: C112 H108 Co2 N16 O4 S4
• Calculated formula: C112 H108 Co2 N16 O4 S4
• Title of publication: Constructing chiral MOFs by functionalizing 4,2′:6′,4′′-terpyridine with long-chain alkoxy domains: rare examples of neb nets
• Authors of publication: Klein, Y. Maximilian; Prescimone, Alessandro; Pitak, Mateusz B.; J.Coles, Simon; Constable, Edwin C.; Housecroft, Catherine E.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 25
• Pages of publication: 4704
• a: 23.7111 ± 0.0004 Å
• b: 23.7111 ± 0.0004 Å
• c: 46.9783 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 26412 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.144
• Residual factor for significantly intense reflections: 0.0901
• Weighted residual factors for significantly intense reflections: 0.2552
• Weighted residual factors for all reflections included in the refinement: 0.2795
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No