Information card for entry 7711353

Structure parameters

• Formula: C36 H32 Mn3 N7 O22
• Calculated formula: C36 H32 Mn3 N7 O22
• 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: 9.8775 ± 0.0007 Å
• b: 18.0953 ± 0.0011 Å
• c: 27.2297 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4866.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0997
• Residual factor for significantly intense reflections: 0.0914
• Weighted residual factors for significantly intense reflections: 0.1996
• Weighted residual factors for all reflections included in the refinement: 0.204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No