Information card for entry 7034762

Structure parameters

• Formula: C214 H210 Cu12 N56 Na2 O43 S8
• Calculated formula: C214 H193 Cu12 N56 Na2 O43 S8
• Title of publication: Novel Cu(II)-M(II)-Cu(II) (M = Cu or Ni) trinuclear and [NaCu] hexanuclear complexes assembled by bi-compartmental ligands: syntheses, structures, magnetic and catalytic studies.
• Authors of publication: Biswas, Surajit; Dutta, Arpan; Dolai, Malay; Bhowmick, Indrani; Rouzières, Mathieu; Clérac, Rodolphe; Panja, Anangamohan; Ali, Mahammad
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 20
• Pages of publication: 9426 - 9438
• a: 12.2539 ± 0.0008 Å
• b: 18.621 ± 0.0013 Å
• c: 27.0991 ± 0.0018 Å
• α: 102.507 ± 0.004°
• β: 93.336 ± 0.004°
• γ: 108.678 ± 0.004°
• Cell volume: 5664.2 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1572
• Residual factor for significantly intense reflections: 0.0848
• Weighted residual factors for significantly intense reflections: 0.1894
• Weighted residual factors for all reflections included in the refinement: 0.233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No