Information card for entry 7037876

Structure parameters

• Formula: C8.5 H20 Mg O10.5
• Calculated formula: C6 H6 Mg O8
• Title of publication: An indirect generation of 1D M(II)-2,5-dihydroxybenzoquinone coordination polymers, their structural rearrangements and generation of materials with a high affinity for H2, CO2 and CH4.
• Authors of publication: Abrahams, Brendan F.; Dharma, A. David; Dyett, Brendan; Hudson, Timothy A.; Maynard-Casely, Helen; Kingsbury, Christopher J.; McCormick, Laura J.; Robson, Richard; Sutton, Ashley L.; White, Keith F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 4
• Pages of publication: 1339 - 1344
• a: 21.0769 ± 0.0013 Å
• b: 15.668 ± 0.0008 Å
• c: 9.2192 ± 0.0004 Å
• α: 90°
• β: 103.261 ± 0.005°
• γ: 90°
• Cell volume: 2963.3 ± 0.3 ų
• Cell temperature: 130 ± 1 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1424
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No