Information card for entry 4340906

Structure parameters

• Formula: C42 H57.25 K2.75 N18 O10 Re6 Se8
• Calculated formula: C42 H35 K2.75 N18 O9.99 Re6 Se8
• Title of publication: The first water-soluble hexarhenium cluster complexes with a heterocyclic ligand environment: synthesis, luminescence, and biological properties.
• Authors of publication: Shestopalov, Michael A.; Zubareva, Kristina E.; Khripko, Olga P.; Khripko, Yuri I.; Solovieva, Anastasiya O.; Kuratieva, Natalia V.; Mironov, Yuri V.; Kitamura, Noboru; Fedorov, Vladimir E.; Brylev, Konstantin A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 17
• Pages of publication: 9006 - 9013
• a: 15.3922 ± 0.0004 Å
• b: 21.7391 ± 0.0005 Å
• c: 23.2431 ± 0.0006 Å
• α: 90°
• β: 92.935 ± 0.001°
• γ: 90°
• Cell volume: 7767.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0743
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No