Information card for entry 7012543

Structure parameters

• Formula: C20 H31 Cl2 N7 Ni O8
• Calculated formula: C20 H31 Cl2 N7 Ni O8
• Title of publication: Cu(ii) and Ni(ii) complexes with dipyridine-containing macrocyclic polyamines with different binding unitsElectronic supplementary information (ESI) available: selected bond lengths [Å] and angles [°] for [CuL1](ClO4)2 (Table S1) and for [NiL1](ClO4)2 (Table S2); absorption spectra of L2 in the presence of Cu(ii) (1 ∶ 1 molar ratio) at different pH values (Fig. S1). See http://www.rsc.org/suppdata/dt/b2/b211904h/
• Authors of publication: Anda, Carmen; Bazzicalupi, Carla; Bencini, Andrea; Bianchi, Antonio; Fornasari, Patrizia; Giorgi, Claudia; Valtancoli, Barbara; Lodeiro, Carlos; Jorge Parola, A.; Pina, Fernando
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 7
• Pages of publication: 1299
• a: 11.7484 ± 0.0006 Å
• b: 11.2278 ± 0.0006 Å
• c: 19.642 ± 0.001 Å
• α: 90°
• β: 95.359 ± 0.002°
• γ: 90°
• Cell volume: 2579.6 ± 0.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0963
• Residual factor for significantly intense reflections: 0.0805
• Weighted residual factors for significantly intense reflections: 0.1772
• Weighted residual factors for all reflections included in the refinement: 0.1852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No