Information card for entry 4506549

Structure parameters

• Formula: C86 H102 Co3 N8 O20
• Calculated formula: C86 H102 Co3 N8 O20
• Title of publication: 3,6-Connected Metal‒Organic Frameworks Based on Triscarboxylate as a 3-Connected Organic Node and a Linear Trinuclear Co3(COO)6Secondary Building Unit as a 6-Connected Node
• Authors of publication: Kim, Dongwook; Song, Xiaokai; Yoon, Jung Hee; Lah, Myoung Soo
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 4186
• a: 12.341 ± 0.003 Å
• b: 25.96 ± 0.005 Å
• c: 13.67 ± 0.003 Å
• α: 90°
• β: 98.81 ± 0.03°
• γ: 90°
• Cell volume: 4327.8 ± 1.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0912
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No