Information card for entry 4507446

Structure parameters

• Formula: C33 H33 Cl Mn2 O12
• Calculated formula: C33 H27 Cl Mn2 O12
• Title of publication: Four Honeycomb Metal‒Organic Frameworks with a Flexible Tripodal Polyaromatic Acid
• Authors of publication: Zhan, Chao; Zou, Chao; Kong, Guo-Qiang; Wu, Chuan-De
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 4
• Pages of publication: 1429
• a: 8.753 ± 0.0006 Å
• b: 35.44 ± 0.003 Å
• c: 17.9595 ± 0.001 Å
• α: 90°
• β: 91.812 ± 0.007°
• γ: 90°
• Cell volume: 5568.4 ± 0.7 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: 0.1242
• Residual factor for significantly intense reflections: 0.0933
• Weighted residual factors for significantly intense reflections: 0.2033
• Weighted residual factors for all reflections included in the refinement: 0.2214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No