Information card for entry 2211232

Structure parameters

• Chemical name: μ-Benzene-1,2,4,5-tetracarboxylato-bis[aquabis(2,2'-bipyridine)cobalt(II)] dodecahydrate
• Formula: C50 H62 Co2 N8 O22
• Calculated formula: C50 H62 Co2 N8 O22
• SMILES: c1cccc2c3[n]([Co]4([n]12)([n]1ccccc1c1[n]4cccc1)([OH2])OC(=O)c1cc(c(C(=O)O[Co]24([n]5ccccc5c5cccc[n]25)([n]2ccccc2c2[n]4cccc2)[OH2])cc1C(=O)[O-])C(=O)[O-])cccc3.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: μ-Benzene-1,2,4,5-tetracarboxylato-bis[aquabis(2,2'-bipyridine)cobalt(II)] dodecahydrate
• Authors of publication: Tabatabaee, Masoumeh; Ghassemzadeh, Mitra; Rezaie, Fatemeh; Khavasi, Hamid Reza; Amini, Mostafa M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m2784 - m2785
• a: 10.3685 ± 0.0008 Å
• b: 25.5118 ± 0.0019 Å
• c: 10.5823 ± 0.0008 Å
• α: 90°
• β: 100.091 ± 0.006°
• γ: 90°
• Cell volume: 2755.9 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes