Information card for entry 7231279

Structure parameters

• Formula: C74 H100 Mn3 N10 O24 Si3
• Calculated formula: C74 H100 Mn3 N10 O24 Si3
• Title of publication: Trisiloxane-centred metal‒organic frameworks and hydrogen bonded assemblies
• Authors of publication: Delmas, Luke C.; White, Andrew J. P.; Pugh, David; Horton, Peter N.; Coles, Simon J.; Lickiss, Paul D.; Davies, Robert P.
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 32
• Pages of publication: 4541
• a: 18.9725 ± 0.0006 Å
• b: 19.7061 ± 0.0005 Å
• c: 25.3721 ± 0.0005 Å
• α: 90°
• β: 98.476 ± 0.002°
• γ: 90°
• Cell volume: 9382.4 ± 0.4 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: 0.1112
• Residual factor for significantly intense reflections: 0.0833
• Weighted residual factors for significantly intense reflections: 0.2471
• Weighted residual factors for all reflections included in the refinement: 0.2836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No