Information card for entry 4339552

Structure parameters

• Common name: Tetraaquanickel(II) 5,10-dioxo-5,10-dihydro-4,9-dioxa-pyrene-2,7-dicarboxylate
• Formula: C16 H12 Ni O12
• Calculated formula: C16 H12 Ni O12
• Title of publication: Two coordination polymers created via in situ ligand synthesis involving C-N and C-C bond formation.
• Authors of publication: Feller, Russell K.; Forster, Paul M.; Wudl, Fred; Cheetham, Anthony K.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 21
• Pages of publication: 8717 - 8721
• a: 5.011 ± 0.003 Å
• b: 6.526 ± 0.003 Å
• c: 12.305 ± 0.007 Å
• α: 76.868 ± 0.008°
• β: 84.988 ± 0.008°
• γ: 87.619 ± 0.008°
• Cell volume: 390.3 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No