Information card for entry 2210418

Structure parameters

• Chemical name: cis-Aquadichloro(1,10-phenanthroline-κ^2^N,N')(thiourea-κS)manganese(II) thiourea solvate
• Formula: C14 H18 Cl2 Mn N6 O S2
• Calculated formula: C14 H18 Cl2 Mn N6 O S2
• SMILES: [Mn]1(Cl)(Cl)([S]=C(N)N)([OH2])[n]2cccc3ccc4ccc[n]1c4c23.S=C(N)N
• Title of publication: <i>cis</i>-Aquadichloro(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(thiourea-κ<i>S</i>)manganese(II) thiourea solvate
• Authors of publication: Wu, Zhi-Yong; Zhang, Rui; Li, Yan-Tuan; Sun, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m2125 - m2127
• a: 8.859 ± 0.0018 Å
• b: 9.811 ± 0.002 Å
• c: 11.706 ± 0.002 Å
• α: 86.46 ± 0.03°
• β: 87.04 ± 0.03°
• γ: 89.89 ± 0.03°
• Cell volume: 1014.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes