Information card for entry 8102149

Structure parameters

• Chemical name: bis[bis(1,10-phenanthroline-N,N')(μ-2-iodo-benzoato)manganese(II)] diiodide dihydrate, [Mn(C7H4O2I)(C12H8N2)2]2I2 τimes 2H~2~O
• Formula: C62 H44 I4 Mn2 N8 O6
• Calculated formula: C62 H44 I4 Mn2 N8 O6
• Title of publication: Crystal structure of bis(bis(1,10-phenanthroline-N,N')(μ-2- iodobenzoato)manganese(II)) diiodide dihydrate, [Mn~2~(C~7~H~4~O~2~I) ~2~(C~12~H~8~N~2~)~4~][I]~2~ · 2H~2~O
• Authors of publication: Zhang, Bi-Song
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2007
• Journal volume: 222
• Journal issue: 3
• Pages of publication: 274 - 276
• a: 13.7928 ± 0.0012 Å
• b: 19.7357 ± 0.0019 Å
• c: 11.2061 ± 0.001 Å
• α: 90°
• β: 93.572 ± 0.004°
• γ: 90°
• Cell volume: 3044.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1613
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.2062
• Weighted residual factors for all reflections included in the refinement: 0.2417
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No