Information card for entry 7006927

Structure parameters

• Formula: C25 H20 Cl N3 O S
• Calculated formula: C25 H20 Cl N3 O S
• Title of publication: Ligands and complexes with supramolecular aromatic-aromatic interactions: iron(II) and ruthenium(II) complexes of 2,2':6',2''-terpyridines with pendant naphthalene groups.
• Authors of publication: Chow, Hoi Shan; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 23
• Pages of publication: 2881 - 2890
• a: 41.93 ± 0.007 Å
• b: 5.1238 ± 0.0011 Å
• c: 9.745 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2093.6 ± 1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1012
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for all reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.0449
• Weighted residual factors for all reflections included in the refinement: 0.0449
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No