Information card for entry 7006174

Structure parameters

• Formula: C92 H84 Cl4 N12 O16 Ru2
• Calculated formula: C92 H82 Cl4 N12 O16 Ru2
• 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: 39.775 ± 0.004 Å
• b: 8.8662 ± 0.0013 Å
• c: 25.857 ± 0.003 Å
• α: 90°
• β: 106.393 ± 0.007°
• γ: 90°
• Cell volume: 8747.9 ± 1.9 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for all reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.0388
• Weighted residual factors for all reflections included in the refinement: 0.0388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0756
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No