Information card for entry 4348374

Structure parameters

• Formula: C68 H62 Co3 N8 O14 S2
• Calculated formula: C68 H62 Co3 N8 O14 S2
• Title of publication: A 2-D coordination polymer incorporating cobalt(ii), 2-sulfoterephthalate and the flexible bridging ligand 1,3-di(4-pyridyl)propane
• Authors of publication: Datta, Amitabha; Das, Kuheli; Massera, Chiara; Clegg, Jack K.; Pfrunder, Michael C.; Garribba, Eugenio; Huang, Jui-Hsien; Sinha, Chittaranjan; Maji, Tapas Kumar; Akitsu, Takashiro; Orita, Shingo
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 2
• Pages of publication: 157
• a: 10.6094 ± 0.0006 Å
• b: 11.9098 ± 0.0006 Å
• c: 14.7412 ± 0.0007 Å
• α: 81.495 ± 0.004°
• β: 83.114 ± 0.004°
• γ: 72.479 ± 0.005°
• Cell volume: 1751.07 ± 0.16 ų
• Cell temperature: 331 ± 2 K
• Ambient diffraction temperature: 331 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No