Information card for entry 7017162

Structure parameters

• Formula: C24 H24 Cl2 Fe N6 O8
• Calculated formula: C24 H24 Cl2 Fe N6 O8
• SMILES: c1cccc2c3cccc4[n]3[Fe]356([n]12)[NH](C4)CC[NH]6Cc1cccc(c2cccc[n]32)[n]51.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Factors influencing mononuclear versus multinuclear coordination in a series of potentially hexadentate acyclic N(6) ligands: the roles of flexibility and chelate ring size.
• Authors of publication: Hall, Nikita A.; Duboc, Carole; Collomb, Marie-Noëlle; Deronzier, Alain; Blackman, Allan G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 45
• Pages of publication: 12075 - 12082
• a: 17.5489 ± 0.0014 Å
• b: 13.222 ± 0.0011 Å
• c: 11.8908 ± 0.001 Å
• α: 90°
• β: 110.802 ± 0.005°
• γ: 90°
• Cell volume: 2579.2 ± 0.4 ų
• Cell temperature: 89 ± 2 K
• Ambient diffraction temperature: 89 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No