Information card for entry 7703979

Structure parameters

• Formula: C58 H46 Mn3 N4 O14
• Calculated formula: C58 H46 Mn3 N4 O14
• Title of publication: Trinuclear Mn²⁺/Zn²⁺ based microporous coordination polymers as efficient catalysts for ipso-hydroxylation of boronic acids.
• Authors of publication: Bora, Sanchay J.; Paul, Rima; Dutta, Anurag; Goswami, Shyam; Guha, Ankur K.; Thakur, Ashim J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 17
• Pages of publication: 5454 - 5462
• a: 14.5419 ± 0.0009 Å
• b: 25.0959 ± 0.0017 Å
• c: 18.1368 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6618.9 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1049
• Residual factor for significantly intense reflections: 0.0826
• Weighted residual factors for significantly intense reflections: 0.2459
• Weighted residual factors for all reflections included in the refinement: 0.2731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No