Information card for entry 4512047

Structure parameters

• Formula: C63 H39 Cl Mn2 N12 O6
• Calculated formula: C63 H39 Cl Mn2 N12 O6
• Title of publication: Guest Exchange Reactions in Isostructural 3D Porous Coordination Polymers of Ni(II), Co(II), and Mn(II)
• Authors of publication: Agarwal, Rashmi A.; Bharadwaj, Parimal K.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 11
• Pages of publication: 6115
• a: 17.872 ± 0.002 Å
• b: 28.462 ± 0.002 Å
• c: 14.1464 ± 0.0014 Å
• α: 90°
• β: 91.662 ± 0.003°
• γ: 90°
• Cell volume: 7192.9 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1225
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.2065
• Weighted residual factors for all reflections included in the refinement: 0.2438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No