Information card for entry 2013619

Structure parameters

• Chemical name: Diaqua-bis(1,10-phenanthroline-N,N')manganese(II)] [bis(1,10-phenanthroline-N,N')(thiodiglycolato-O,O')manganese(II)] thiodiglycolate tridecahydrate
• Formula: C56 H66 Mn2 N8 O23 S2
• Calculated formula: C56 H66 Mn2 N8 O23 S2
• Title of publication: Diaquabis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II) thiodiglycolate bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(thiodiglycolato-κ^2^<i>O</i>,<i>O</i>')manganese(II) tridecahydrate
• Authors of publication: Marek, Jaromír; Trávníček, Zdeněk; Kopel, Pavel
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: m429 - m431
• a: 15.0347 ± 0.0007 Å
• b: 15.987 ± 0.0007 Å
• c: 16.4562 ± 0.0008 Å
• α: 83.501 ± 0.004°
• β: 66.004 ± 0.005°
• γ: 61.981 ± 0.005°
• Cell volume: 3175.1 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No