Information card for entry 4512550

Structure parameters

• Formula: C80 H60 Mn2 N8 O22
• Calculated formula: C80 H60 Mn2 N8 O22
• SMILES: [n]12cccc3ccc4ccc[n](c4c13)[Mn]132([n]2cccc4ccc5c([n]1ccc5)c24)[O]=C(c1ccc(C(=O)O)cc1c1cc(cc(c1)C(=O)[O-])C(=O)O)O[Mn]12([n]4cccc5ccc6ccc[n]1c6c45)([n]1cccc4ccc5ccc[n]2c5c14)[O]=C(c1ccc(C(=O)O)cc1c1cc(cc(c1)C(=O)[O-])C(=O)O)O3.O.O.O.O.O.O
• Title of publication: Five Mn(II) Coordination Polymers Based on 2,3′,5,5′-Biphenyl Tetracarboxylic Acid: Syntheses, Structures, and Magnetic Properties
• Authors of publication: Zhao, Ying; Chang, Xin-Hong; Liu, Guang-Zhen; Ma, Lu-Fang; Wang, Li-Ya
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 2
• Pages of publication: 966
• a: 13.1418 ± 0.0005 Å
• b: 20.3611 ± 0.0007 Å
• c: 14.6089 ± 0.0007 Å
• α: 90°
• β: 110.305 ± 0.006°
• γ: 90°
• Cell volume: 3666.2 ± 0.3 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: 0.1409
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1438
• Weighted residual factors for all reflections included in the refinement: 0.1845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No