Information card for entry 7037156

Structure parameters

• Formula: C43 H35 Cl2 N9 O10 Ru
• Calculated formula: C43 H35 Cl2 N9 O10 Ru
• SMILES: [Ru]123([n]4c(c5[n]1cccc5)cccc4)([n]1c(cccc1)c1[n]2cccc1)[n]1c(c2[nH]c4c5c6c7c(c4[n]32)cccc7ccc6ccc5)[nH]cc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O=CN(C)C
• Title of publication: Pyrene-biimidazole based Ru(ii) and Os(ii) complexes as highly efficient probes for the visible and near-infrared detection of cyanide in aqueous media.
• Authors of publication: Mardanya, Sourav; Karmakar, Srikanta; Bar, Manoranjan; Baitalik, Sujoy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 48
• Pages of publication: 21053 - 21072
• a: 11.4961 ± 0.0004 Å
• b: 30.8004 ± 0.001 Å
• c: 12.1865 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4315.1 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1363
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1457
• Weighted residual factors for all reflections included in the refinement: 0.18
• Goodness-of-fit parameter for all reflections included in the refinement: 0.703
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No