Information card for entry 4321403

Structure parameters

• Formula: C14 H22 N O Re S4
• Calculated formula: C14 H22 N O Re S4
• SMILES: [Re]12(=O)(SCC[N]2(CCS1)CCSCC)Sc1ccccc1
• Title of publication: Glutathione Interaction with SNS/S Mixed-Ligand Complexes of Oxorhenium(V): Kinetic Aspects and Characterization of the Products
• Authors of publication: Berthold Nock; Theodosia Maina; Achilleas Tsortos; Maria Pelecanou; Catherine P. Raptopoulou; Minas Papadopoulos; Hans-Jürgen Pietzsch; Chariklia I. Stassinopoulou; Aris Terzis; Hartmut Spies; Georgios Nounesis; Efstratios Chiotellis
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 4433 - 4441
• a: 11.086 ± 0.008 Å
• b: 8.624 ± 0.006 Å
• c: 10.906 ± 0.007 Å
• α: 93.06 ± 0.02°
• β: 110.53 ± 0.02°
• γ: 75.06 ± 0.02°
• Cell volume: 942.7 ± 1.1 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0186
• Residual factor for significantly intense reflections: 0.0181
• Weighted residual factors for all reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.0517
• Goodness-of-fit parameter for all reflections: 1.135
• Goodness-of-fit parameter for significantly intense reflections: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No