Information card for entry 7222104

Structure parameters

• Formula: C6 H24 Co N4 Na O9 S2
• Calculated formula: C6 H24 Co N4 Na O9 S2
• SMILES: C1C[NH2][Co]23([NH]1CC[NH]2CC[NH2]3)(S(=O)(=O)O1)S(=O)(=O)O[Na]1([OH2])([OH2])[OH2]
• Title of publication: H‒bond Supported Coordination Polymers of Transition Metal Sulfites with Different Dimensionalities
• Authors of publication: Behera, Jogendra Nath; Kumar, Jitendra; Tiwari, Ranjay K.
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 10.2417 ± 0.0011 Å
• b: 14.2078 ± 0.0011 Å
• c: 10.737 ± 0.0009 Å
• α: 90°
• β: 98.19 ± 0.01°
• γ: 90°
• Cell volume: 1546.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No