Information card for entry 7004711

Structure parameters

• Formula: C22 H19 Cl3 N6 O
• Calculated formula: C22 H19 Cl3 N6 O
• SMILES: n1c(c2nc(c3ncccc3)cc(N/N=C/c3ccncc3)c2)cccc1.ClC(Cl)Cl.O
• Title of publication: Curly‒curly, loop‒loop: homoleptic metal(ii) complexes of pyridinecarbaldehyde 4′-(2,2′:6′,2″-terpyridyl)hydrazones and their coordination polymers
• Authors of publication: Beves, Jonathon E.; Constable, Edwin C.; Housecroft, Catherine E.; Kepert, Cameron J.; Neuburger, Markus; Price, David J.; Schaffner, Silvia; Zampese, Jennifer A.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 47
• Pages of publication: 6742 - 6751
• a: 9.957 ± 0.002 Å
• b: 10.336 ± 0.002 Å
• c: 12.413 ± 0.003 Å
• α: 71.39 ± 0.03°
• β: 71.6 ± 0.03°
• γ: 88.82 ± 0.03°
• Cell volume: 1144.2 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7004704
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No