Information card for entry 2231414

Structure parameters

• Chemical name: <i>catena</i>-Poly[[bis[[bis(3-aminopropyl)amine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>''](thiocyanato-κ<i>N</i>)cadmium]- μ~4~-sulfato-κ^4^<i>O</i>,<i>O</i>:<i>O</i>',<i>O</i>'] methanol hemisolvate]
• Formula: C14.5 H36 Cd2 N8 O4.5 S3
• Calculated formula: C14.5 H36 Cd2 N8 O4.5 S3
• Title of publication: <i>catena</i>-Poly[[bis[[bis(3-aminopropyl)amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''](thiocyanato-κ<i>N</i>)cadmium]-μ~4~-sulfato-κ^4^<i>O</i>,<i>O</i>:<i>O</i>',<i>O</i>'] methanol hemisolvate]
• Authors of publication: Boeckmann, Jan; Näther, Christian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1201 - m1202
• a: 10.6648 ± 0.0009 Å
• b: 12.4441 ± 0.0012 Å
• c: 12.924 ± 0.0012 Å
• α: 61.359 ± 0.01°
• β: 69.064 ± 0.01°
• γ: 68.772 ± 0.01°
• Cell volume: 1367.3 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0614
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes