Information card for entry 8103215

Structure parameters

• Chemical name: Tris(1,10-phenanthroline-κ^2^N,N')manganese(II) diiodide pentahydrate
• Formula: C36 H34 I2 Mn N6 O5
• Calculated formula: C36 H24 I2 Mn N6 O5
• Title of publication: Crystal structure of tris(1,10-phenanthroline-?2N,N')manganese(II) diiodide — water (1:5), [Mn(C12H8N2)3]I2 • 5H2O
• Authors of publication: Kwang Ha
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 4
• Pages of publication: 575
• a: 24.1193 ± 0.0011 Å
• b: 10.9032 ± 0.0005 Å
• c: 18.2018 ± 0.0008 Å
• α: 90°
• β: 123.901 ± 0.001°
• γ: 90°
• Cell volume: 3972.9 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0968
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.169
• Weighted residual factors for all reflections included in the refinement: 0.1978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No