Information card for entry 7211076

Structure parameters

• Formula: C26 H36 N6 O4 S2 Zn
• Calculated formula: C26 H36 N6 O4 S2 Zn
• Title of publication: Coordination polymers of a dipyridylazacrown ligand: structural, thermal and spectroscopic properties
• Authors of publication: Gee, William J.; Moubaraki, Boujemaa; Murray, Keith S.; Batten, Stuart R.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 45
• Pages of publication: 9655
• a: 9.5947 ± 0.0003 Å
• b: 10.3589 ± 0.0003 Å
• c: 14.8323 ± 0.0004 Å
• α: 86.675 ± 0.001°
• β: 88.007 ± 0.001°
• γ: 85.2 ± 0.001°
• Cell volume: 1465.88 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No