Information card for entry 7021364

Structure parameters

• Common name: catena((2,2'-dihydroxy-4,4'-dicarboxylato- bis(diethylformamido)-nickel(ii)) DEF-solvate)
• Chemical name: catena{[2,2'-dihydroxy-4,4'-dicarboxylato-bis(diethylformamido)- nickel(II)] DEF-solvate}
• Formula: C24 H28 N2 Ni O8
• Calculated formula: C24 H28 N2 Ni O8
• Title of publication: Solvent-modified dynamic porosity in chiral 3D kagome frameworks.
• Authors of publication: Keene, Tony D.; Rankine, Damien; Evans, Jack D.; Southon, Peter D.; Kepert, Cameron J.; Aitken, Jade B.; Sumby, Christopher J.; Doonan, Christian J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 22
• Pages of publication: 7871 - 7879
• a: 17.3278 ± 0.0004 Å
• b: 17.3278 ± 0.0004 Å
• c: 9.1188 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2371.13 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0948
• Residual factor for significantly intense reflections: 0.0931
• Weighted residual factors for significantly intense reflections: 0.2582
• Weighted residual factors for all reflections included in the refinement: 0.2592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.228
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No