Information card for entry 7211886

Structure parameters

• Formula: C58 H60 Mn3 N4 O16
• Calculated formula: C58 H60 Mn3 N4 O16
• Title of publication: Metal‒organic frameworks of manganese(ii) 4,4′-biphenyldicarboxylates: crystal structures, hydrogen adsorption, and magnetism properties
• Authors of publication: Zhong, Rui-Qin; Zou, Ru-Qiang; Du, Miao; Yamada, Tetsuya; Maruta, Goro; Takeda, Sadamu; Li, Jing; Xu, Qiang
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 3
• Pages of publication: 677
• a: 13.958 ± 0.003 Å
• b: 18.507 ± 0.004 Å
• c: 12.351 ± 0.003 Å
• α: 90°
• β: 113.79 ± 0.03°
• γ: 90°
• Cell volume: 2919.4 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0937
• Residual factor for significantly intense reflections: 0.0843
• Weighted residual factors for significantly intense reflections: 0.1956
• Weighted residual factors for all reflections included in the refinement: 0.2003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.206
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No