Information card for entry 2209511

Structure parameters

• Chemical name: cis-(2,2'-Bipyridyl)dichloromanganese(II)‒thiourea (1/1)
• Formula: C21 H20 Cl2 Mn N6 S
• Calculated formula: C21 H20 Cl2 Mn N6 S
• SMILES: [Mn]12(Cl)(Cl)([n]3ccccc3c3[n]1cccc3)[n]1ccccc1c1[n]2cccc1.S=C(N)N
• Title of publication: <i>cis</i>-(2,2'-Bipyridyl)dichloromanganese(II)‒thiourea (1/1)
• Authors of publication: Choudhury, Somnath Ray; Dutta, Amitava; Mukhopadhyay, Subrata; Lu, Li-Ping; Zhu, Miao-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: m1489 - m1491
• a: 7.3555 ± 0.0013 Å
• b: 23.433 ± 0.004 Å
• c: 14.573 ± 0.0018 Å
• α: 90°
• β: 115.459 ± 0.006°
• γ: 90°
• Cell volume: 2267.9 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.097
• Residual factor for significantly intense reflections: 0.0858
• Weighted residual factors for significantly intense reflections: 0.1782
• Weighted residual factors for all reflections included in the refinement: 0.1828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.306
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes