Information card for entry 4512729

Structure parameters

• Formula: C30 H28 Mn N10 S2
• Calculated formula: C30 H28 Mn N10 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: 20.9435 ± 0.0003 Å
• b: 12.7617 ± 0.0002 Å
• c: 23.7998 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6361.08 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0555
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No