Information card for entry 7036757

Structure parameters

• Formula: C24 H49 Co4 N9 O27 P3 S0.5
• Calculated formula: C24 H19 Co4 N9 O13 P3
• Title of publication: Water stable triazolyl phosphonate MOFs: steep water uptake and facile regeneration.
• Authors of publication: Begum, S.; Horike, S.; Kitagawa, S.; Krautscheid, H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 43
• Pages of publication: 18727 - 18730
• a: 20.594 ± 0.0016 Å
• b: 20.594 ± 0.0016 Å
• c: 6.5304 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2398.6 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 190
• Hermann-Mauguin space group symbol: P -6 2 c
• Hall space group symbol: P -6c -2c
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No