Information card for entry 8102318

Structure parameters

• Formula: C42 H28 Br2 Mn N8 O11
• Calculated formula: C42 H28 Br2 Mn N8 O11
• Title of publication: Crystal structure of bis-[(2-bromo-1,4-benzenedicarboxylato)(imidazo-[4,5-f]1,10-phenanthroline)]manganese(II) trihydrate, [Mn(C8H4O4Br)2(C13H8N4)2] · 3H2O
• Authors of publication: Jing Liu; Zhan-Wang Liu; Chen Qian
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 4
• Pages of publication: 387
• a: 17.181 ± 0.002 Å
• b: 10.0702 ± 0.0013 Å
• c: 23.763 ± 0.003 Å
• α: 90°
• β: 97.092 ± 0.002°
• γ: 90°
• Cell volume: 4079.9 ± 0.9 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No