Information card for entry 2224726

Structure parameters

• Chemical name: Diacridinium <i>trans</i>-diaquabis(pyrazine-2,3-dicarboxylato)cobaltate(II) hexahydrate
• Formula: C38 H40 Co N6 O16
• Calculated formula: C38 H40 Co N6 O16
• SMILES: [nH+]1c2ccccc2cc2ccccc12.[Co]12([OH2])([n]3c(c(C(=O)[O-])ncc3)C(=O)O1)([n]1c(c(C(=O)[O-])ncc1)C(=O)O2)[OH2].O.O.O.[nH+]1c2ccccc2cc2ccccc12.O.O.O
• Title of publication: Diacridinium <i>trans</i>-diaquabis(pyrazine-2,3-dicarboxylato)cobaltate(II) hexahydrate
• Authors of publication: Aghabozorg, Hossein; Attar Gharamaleki, Jafar; Parvizi, Mahdieh; Derikvand, Zohreh
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: m83 - m84
• a: 6.9434 ± 0.0015 Å
• b: 9.682 ± 0.002 Å
• c: 15.66 ± 0.005 Å
• α: 94.6 ± 0.02°
• β: 98.59 ± 0.02°
• γ: 110.656 ± 0.016°
• Cell volume: 963.9 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes