Information card for entry 7039383

Structure parameters

• Formula: C107.5 H129 Ba2 Cl7 Mn4 N30 O26 S12
• Calculated formula: C107.5 H129 Ba2 Cl7 Mn4 N30 O26 S12
• Title of publication: 2,6-Dipicolinoylbis(N,N-dialkylthioureas) as versatile building blocks for oligo- and polynuclear architectures.
• Authors of publication: Nguyen, H. H.; Jegathesh, J. J.; Takiden, A.; Hauenstein, D.; Pham, C. T.; Le, C. D.; Abram, U.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 26
• Pages of publication: 10771 - 10779
• a: 17.382 ± 0.001 Å
• b: 22.19 ± 0.002 Å
• c: 22.462 ± 0.002 Å
• α: 108.26 ± 0.01°
• β: 97.94 ± 0.01°
• γ: 93.57 ± 0.01°
• Cell volume: 8097.1 ± 1.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1883
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.161
• Weighted residual factors for all reflections included in the refinement: 0.207
• Goodness-of-fit parameter for all reflections included in the refinement: 0.826
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No