Information card for entry 7105790

Structure parameters

• Formula: C62 H51 Cr2 Mn3 N22 O8
• Calculated formula: C62 H51 Cr2 Mn3 N22 O8
• Title of publication: High heat of hydrogen adsorption and guest-responsive magnetic modulation in a 3D porous pillared-layer coordination framework
• Authors of publication: Arpan Hazra; Prakash Kanoo; Tapas Kumar Maji
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 538
• a: 16.7961 ± 0.0004 Å
• b: 18.1575 ± 0.0004 Å
• c: 11.6335 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3547.93 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 55
• Hermann-Mauguin space group symbol: P b a m
• Hall space group symbol: -P 2 2ab
• Residual factor for all reflections: 0.1018
• Residual factor for significantly intense reflections: 0.0947
• Weighted residual factors for significantly intense reflections: 0.2252
• Weighted residual factors for all reflections included in the refinement: 0.2279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.353
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No