Information card for entry 7000618

Structure parameters

• Common name: Compound ds121
• Formula: C36 H82 N6 Na6 O44 Pd3
• Calculated formula: C36 H42 N6 Na5.6 O41.6 Pd3
• Title of publication: cis-Tach based pentadecadentate ligands as building blocks in the synthesis of FeIII and PdII coordination clusters
• Authors of publication: Newton, Graham N.; Cooper, Geoffrey J. T.; Schuch, Dominik; Shiga, Takuya; Khanra, Sumit; Long, De-Liang; Oshio, Hiroki; Cronin, Leroy
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 9
• Pages of publication: 1549 - 1553
• a: 11.0988 ± 0.0002 Å
• b: 12.1253 ± 0.0002 Å
• c: 25.4032 ± 0.0005 Å
• α: 76.923 ± 0.001°
• β: 84.969 ± 0.001°
• γ: 81.665 ± 0.001°
• Cell volume: 3289.49 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0781
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1529
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No