Information card for entry 7711352

Structure parameters

• Formula: C36 H32 Br3 Mn3 N4 O16
• Calculated formula: C36 H32 Br3.0005 Mn3 N4 O16
• Title of publication: Open metal site (OMS)-inspired investigation of adsorption and catalytic functions in a porous metal–organic framework (MOF)
• Authors of publication: Yadav, Anand; Kumari, Sarita; Yadav, Preety; Hazra, Arpan; Chakraborty, Anindita; Kanoo, Prakash
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 18.165 ± 0.004 Å
• b: 9.981 ± 0.003 Å
• c: 25.338 ± 0.008 Å
• α: 90°
• β: 90.27 ± 0.02°
• γ: 90°
• Cell volume: 4594 ± 2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No