Information card for entry 2216149

Structure parameters

• Chemical name: (μ~3~-Benzene-1,3,5-tricarboxylato)tris[aqua(<i>N</i>,<i>N</i>,N',N'',N''- pentamethyldiethylenetriamine)nickel(II)] tris(perchlorate) 4.25-hydrate
• Formula: C36 H86.5 Cl3 N9 Ni3 O25.25
• Calculated formula: C36 H86.5 Cl3 N9 Ni3 O25.25
• Title of publication: (μ~3~-Benzene-1,3,5-tricarboxylato)tris[aqua(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''-pentamethyldiethylenetriamine)nickel(II)] tris(perchlorate) 4.25-hydrate
• Authors of publication: Trávníček, Zdeněk; Marek, Jaromír; Čermáková, Šárka
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2860 - m2861
• a: 11.7409 ± 0.0002 Å
• b: 30.6727 ± 0.0005 Å
• c: 16.959 ± 0.0004 Å
• α: 90°
• β: 107.633 ± 0.002°
• γ: 90°
• Cell volume: 5820.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.058
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes