Information card for entry 4508495

Structure parameters

• Formula: C50 H54 Mn N12 O14
• Calculated formula: C50 H54 Mn N12 O14
• Title of publication: New Structural Topologies in a Series of 3d Metal Complexes with Isomeric Phenylenediacetates and 1,3,5-Tris(1-imidazolyl)benzene Ligand: Syntheses, Structures, and Magnetic and Luminescence Properties
• Authors of publication: Mukherjee, Sandip; Samanta, Dipak; Mukherjee, Partha Sarathi
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 12
• Pages of publication: 5335
• a: 8.5478 ± 0.0004 Å
• b: 18.0515 ± 0.0007 Å
• c: 16.6294 ± 0.0006 Å
• α: 90°
• β: 98.933 ± 0.002°
• γ: 90°
• Cell volume: 2534.8 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No