Information card for entry 7201335

Structure parameters

• Formula: C21 H20 Cl2 Cu N4 O2
• Calculated formula: C21 H20 Cl2 Cu N4 O2
• SMILES: [Cu]12(Cl)(Cl)[n]3ccccc3c3[n]1c(cc(c3)c1ccncc1)c1[n]2cccc1.OC.O
• Title of publication: Structural diversity in the reactions of 4′-(pyridyl)-2,2′:6′,2″-terpyridine ligands and bis{4′-(4-pyridyl)-2,2′:6′,2″-terpyridine}iron(II) with copper(II) salts
• Authors of publication: Beves, Jonathon E.; Constable, Edwin C.; Decurtins, Silvio; Dunphy, Emma L.; Housecroft, Catherine E.; Keene, Tony D.; Neuburger, Markus; Schaffner, Silvia; Zampese, Jennifer A.
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 11
• Pages of publication: 2406
• a: 8.175 ± 0.003 Å
• b: 8.646 ± 0.003 Å
• c: 16.128 ± 0.006 Å
• α: 95.35 ± 0.03°
• β: 99.39 ± 0.03°
• γ: 108.48 ± 0.02°
• Cell volume: 1053.8 ± 0.7 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No