Information card for entry 7051547

Structure parameters

• Formula: C20 H35 Cl2 N7 Ni O8
• Calculated formula: C20 H35 Cl2 N7 Ni O8
• Title of publication: Nickel(ii) complexes of cyclen- and cyclam-pyridine: topological reorganisations induced by electron transfer
• Authors of publication: El Ghachtouli, Sanae; Cadiou, Cyril; Déchamps-Olivier, Isabelle; Chuburu, Françoise; Aplincourt, Michel; Patinec, Véronique; Le Baccon, Michel; Handel, Henri; Roisnel, Thierry
• Journal of publication: New Journal of Chemistry
• Year of publication: 2006
• Journal volume: 30
• Journal issue: 3
• Pages of publication: 392
• a: 14.2314 ± 0.0011 Å
• b: 12.7251 ± 0.0011 Å
• c: 15.5407 ± 0.0012 Å
• α: 90°
• β: 98.313 ± 0.004°
• γ: 90°
• Cell volume: 2784.8 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1285
• Residual factor for significantly intense reflections: 0.1009
• Weighted residual factors for significantly intense reflections: 0.2005
• Weighted residual factors for all reflections included in the refinement: 0.2187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No