Information card for entry 7036714

Structure parameters

• Formula: C42 H52 Co4 N6 O39
• Calculated formula: C42 H28 Co4 N6 O32.5
• Title of publication: Structures and multiple properties of two polar metal-organic frameworks based on achiral N,O-coordinated ligands: toward multifunctional materials.
• Authors of publication: Liu, Guang-Ning; Zhang, Ming-Jian; Liu, Wan-Qing; Sun, Hui; Li, Xin-Yu; Li, Ke; Ren, Cai-Ze; Zhang, Zhen-Wei; Li, Cuncheng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 43
• Pages of publication: 18882 - 18892
• a: 25.7987 ± 0.0012 Å
• b: 23.5734 ± 0.0012 Å
• c: 9.7527 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5931.2 ± 0.5 ų
• Cell temperature: 77 ± 2 K
• Ambient diffraction temperature: 77 ± 2 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No