Information card for entry 7001638

Structure parameters

• Formula: C26 H28 Co2 N8 O14 S2
• Calculated formula: C26 H28 Co2 N8 O14 S2
• SMILES: c1c2c3[n]([Co]4([n]5cccc(c35)c3c2nc[nH]3)([OH2])(OS(=O)(=O)O[Co]2([n]3cccc5c6c(c7ccc[n]2c7c35)[nH]cn6)(OS(=O)(=O)O4)([OH2])[OH2])[OH2])cc1.O.O
• Title of publication: Interplay of coordinative and supramolecular interactions in formation of a series of metal–organic complexes bearing diverse dimensionalities
• Authors of publication: Liu, Jian-Qiang; Zhang, Ya-Nan; Wang, Yao-Yu; Jin, Jun-Cheng; Lermontova, Elmira Kh.; Shi, Qi-Zhen
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 27
• Pages of publication: 5365 - 5378
• a: 10.316 ± 0.002 Å
• b: 9.066 ± 0.0018 Å
• c: 16.86 ± 0.003 Å
• α: 90°
• β: 99.088 ± 0.002°
• γ: 90°
• Cell volume: 1557 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No