Information card for entry 4500994

Structure parameters

• Formula: C50 H86 N2 Ni2 O16
• Calculated formula: C18 H6 Ni2 O12
• Title of publication: Coordination Polymers of 2,5-Dihydroxybenzoquinone and Chloranilic Acid with the (10,3)-aTopology
• Authors of publication: Abrahams, Brendan F.; Hudson, Timothy A.; McCormick, Laura J.; Robson, Richard
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 2717
• a: 22.1014 ± 0.0013 Å
• b: 22.1014 ± 0.0013 Å
• c: 22.1014 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10795.9 ± 1.1 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 230
• Hermann-Mauguin space group symbol: I a -3 d
• Hall space group symbol: -I 4bd 2c 3
• Residual factor for all reflections: 0.1121
• Residual factor for significantly intense reflections: 0.1048
• Weighted residual factors for significantly intense reflections: 0.3997
• Weighted residual factors for all reflections included in the refinement: 0.4083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.722
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No