Information card for entry 7006175

Structure parameters

• Formula: C44 H38 N6 O9 Ru
• Calculated formula: C44 H32 N6 O9 Ru
• Title of publication: Expanded ligands: bis(2,2':6',2''-terpyridine carboxylic acid)ruthenium(ii) complexes as metallosupramolecular analogues of dicarboxylic acids.
• Authors of publication: Constable, Edwin C.; Dunphy, Emma L.; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia; Schaper, Frank; Batten, Stuart R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 38
• Pages of publication: 4323 - 4332
• a: 8.6945 ± 0.0002 Å
• b: 13.4822 ± 0.0003 Å
• c: 16.5345 ± 0.0004 Å
• α: 93.1178 ± 0.0013°
• β: 97.373 ± 0.0014°
• γ: 90.9146 ± 0.0015°
• Cell volume: 1918.8 ± 0.08 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.073
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for all reflections: 0.1043
• Weighted residual factors for significantly intense reflections: 0.0364
• Weighted residual factors for all reflections included in the refinement: 0.0364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1438
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No