Information card for entry 4503250

Structure parameters

• Formula: C21 H21 Mn N8 O6
• Calculated formula: C21 H21 Mn N8 O6
• Title of publication: A New Polycatenated 3D Array of Interlaced 2D Brickwall Layers and 1D Molecular Ladders in [Mn2(bix)3(NO3)4]·2CHCl3[bix = 1,4-bis(imidazol-1-ylmethyl)benzene] That Undergoes Supramolecular Isomerization upon Guest Removal
• Authors of publication: Carlucci, Lucia; Ciani, Gianfranco; Maggini, Simona; Proserpio, Davide M.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 1
• Pages of publication: 162
• a: 9.8134 ± 0.0009 Å
• b: 10.3112 ± 0.0009 Å
• c: 12.1302 ± 0.0011 Å
• α: 98.598 ± 0.001°
• β: 100.951 ± 0.001°
• γ: 94.878 ± 0.001°
• Cell volume: 1183.37 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0995
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections: 0.1011
• Weighted residual factors for significantly intense reflections: 0.0846
• Goodness-of-fit parameter for all reflections: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No