Information card for entry 7202336

Structure parameters

• Formula: C84 H76 B2 Mn N6 O6
• Calculated formula: C84 H76 B2 Mn N6 O6
• Title of publication: Transition metal coordination frameworks with bridges of 1,2-bis(4-pyridyl)ethane-N,N′-dioxide incorporating anions of different size
• Authors of publication: Sun, Hao-Ling; Wang, Zhe-Ming; Gao, Song; Batten, Stuart R.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 12
• Pages of publication: 1796
• a: 9.9989 ± 0.0001 Å
• b: 23.927 ± 0.0003 Å
• c: 15.182 ± 0.0003 Å
• α: 90°
• β: 91.3545 ± 0.0005°
• γ: 90°
• Cell volume: 3631.18 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1027
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No