Information card for entry 2223563

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[bis(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ-2,2'-dithiodibenzoato- κ^2^<i>O</i>,<i>O</i>] methanol hemisolvate monohydrate]
• Formula: C38.5 H28 Mn N4 O5.5 S2
• Calculated formula: C38.5 H28 Mn N4 O5.5 S2
• Title of publication: <i>catena</i>-Poly[[[bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ-2,2'-dithiodibenzoato-κ^2^<i>O</i>,<i>O</i>] methanol hemisolvate monohydrate]
• Authors of publication: Zhou, Li-Ming; Zhang, Qiang; Hu, Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: m1221 - m1222
• a: 12.8267 ± 0.0011 Å
• b: 18.3219 ± 0.0015 Å
• c: 16.7197 ± 0.001 Å
• α: 90°
• β: 119.989 ± 0.004°
• γ: 90°
• Cell volume: 3403.2 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0608
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes