Information card for entry 7045865

Structure parameters

• Formula: C27 H6 Co Fe2 N3 O15 S3
• Calculated formula: C27 H6 Co Fe2 N3 O15 S3
• Title of publication: Sulfur-containing bimetallic metal organic frameworks with multi-fold helix as anode of lithium ion batteries.
• Authors of publication: Li, Meng-Ting; Kong, Ning; Lan, Ya-Qian; Su, Zhong-Min
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 14
• Pages of publication: 4827 - 4832
• a: 17.856 ± 0.005 Å
• b: 9.751 ± 0.005 Å
• c: 21.203 ± 0.005 Å
• α: 90 ± 0.005°
• β: 102.928 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3598 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.0484
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No