Information card for entry 4512734

Structure parameters

• Formula: C26 H22 Mn N10 O3 S2
• Calculated formula: C26 H22 Mn N10 O3 S2
• Title of publication: Control of Interpenetration in Two-Dimensional Metal‒Organic Frameworks by Modification of Hydrogen Bonding Capability of the Organic Bridging Subunits
• Authors of publication: Servati-Gargari, Masoumeh; Mahmoudi, Ghodrat; Batten, Stuart R.; Stilinović, Vladimir; Butler, Derek; Beauvais, Laurance; Kassel, William Scott; Dougherty, William G.; VanDerveer, Donald
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 1336
• a: 7.5717 ± 0.0002 Å
• b: 21.0577 ± 0.0005 Å
• c: 36.3949 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5802.9 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• 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: 0.0772
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No