Information card for entry 4327982

Structure parameters

• Formula: C14 H21 Cl4 N2 O Ru S
• Calculated formula: C14 H21 Cl4 N2 O Ru S
• SMILES: [Ru](Cl)(Cl)(Cl)(Cl)([S](=O)(C)C)[n]1ccc(cc1)C.[nH+]1ccc(cc1)C
• Title of publication: Pyridine Analogues of the Antimetastatic Ru(III) Complex NAMI-A Targeting Non-Covalent Interactions with Albumin
• Authors of publication: Michael I. Webb; Ryan A. Chard; Yaser M. Al-Jobory; Michael R. Jones; Edwin W. Y. Wong; Charles J. Walsby
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 954 - 966
• a: 9.2733 ± 0.0007 Å
• b: 15.3401 ± 0.0011 Å
• c: 15.8709 ± 0.0011 Å
• α: 99.532 ± 0.001°
• β: 105.574 ± 0.001°
• γ: 107.318 ± 0.001°
• Cell volume: 2000.8 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for all reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.0318
• Weighted residual factors for all reflections included in the refinement: 0.0311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.419
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No