Information card for entry 2225531

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[bis[bis(2,2'-bipyridine)manganese(II)]-μ~4~-3,3'- sulfanediyldipropionato] bis(perchlorate)]
• Formula: C46 H40 Cl2 Mn2 N8 O12 S
• Calculated formula: C46 H40 Cl2 Mn2 N8 O12 S
• SMILES: [Mn]123([O]=C(O[Mn]45([O]=C(O3)CCSCCC(=O)[O-])([n]3ccccc3c3[n]4cccc3)[n]3ccccc3c3[n]5cccc3)CCSCCC(=[O][Mn]34([n]5ccccc5c5[n]3cccc5)[n]3ccccc3c3[n]4cccc3)O[Mn]34([n]5ccccc5c5[n]3cccc5)[n]3ccccc3c3[n]4cccc3)([n]3ccccc3c3[n]1cccc3)[n]1ccccc1c1[n]2cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: <i>catena</i>-Poly[[[bis(2,2'-bipyridine)manganese(II)]-μ~4~-3,3'-sulfanediyldipropionato] bis(perchlorate)]
• Authors of publication: Yong, Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: m380
• a: 12.031 ± 0.002 Å
• b: 13.55 ± 0.002 Å
• c: 15.653 ± 0.003 Å
• α: 102.611 ± 0.002°
• β: 93.213 ± 0.003°
• γ: 93.556 ± 0.003°
• Cell volume: 2479 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.074
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes