Information card for entry 7219086

Structure parameters

• Formula: C58 H60 Cl12 Co N8 O2 S2
• Calculated formula: C58 H60 Cl12 Co N8 O2 S2
• Title of publication: A 3-dimensional {42·84}lvtnet built from a ditopic bis(3,2′:6′,3″-terpyridine) tecton bearing long alkyl tails
• Authors of publication: Maximilian Klein, Y.; Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 10
• Pages of publication: 2070
• a: 17.8916 ± 0.0015 Å
• b: 19.6745 ± 0.0017 Å
• c: 19.088 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6719.1 ± 1.1 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1464
• Residual factor for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections: 0.3268
• Weighted residual factors for significantly intense reflections: 0.317
• Weighted residual factors for all reflections included in the refinement: 0.3268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0827
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No