Information card for entry 4349957

Structure parameters

• Formula: C90 H92 Na4 O16 P6 Re6 S8
• Calculated formula: C90 H92 Na4 O16 P6 Re6 S8
• SMILES: [P]([Re]1234567[S]8[Re]9%10%11%12%132([P](CCC(=O)[O-])(c2ccccc2)c2ccccc2)[S]2[Re]%14%15%163%10([P](CCC(=O)[O-])(c3ccccc3)c3ccccc3)([S]19)[S]1[Re]39%10%122%15([P](CCC(=O)[O-])(c2ccccc2)c2ccccc2)[S]%11[Re]2%1178%13%10([P](CCC(=O)[O-])(c7ccccc7)c7ccccc7)[S]4[Re]6%1619%11([P](CCC(=O)[O-])(c1ccccc1)c1ccccc1)([S]5%14)[S]32)(CCC(=O)[O-])(c1ccccc1)c1ccccc1.[Na+].O.O.[Na+].[Na+].[Na+].O.O
• Title of publication: Water-soluble Re6-clusters with aromatic phosphine ligands ‒ from synthesis to potential biomedical applications
• Authors of publication: Ivanov, Anton A.; Konovalov, Dmitry I.; Pozmogova, Tatiana N.; Solovieva, Anastasiya O.; Melnikov, Anatoly R.; Brylev, Konstantin A.; Kuratieva, Natalia V.; Yanshole, Vadim V.; Kirakci, Kaplan; Lang, Kamil; Cheltygmasheva, Svetlana N.; Kitamura, Noboru; Shestopalova, Lidiya V.; Mironov, Yuri V.; Shestopalov, Michael A.
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 4
• Pages of publication: 882
• a: 13.9958 ± 0.0003 Å
• b: 14.5841 ± 0.0003 Å
• c: 14.8362 ± 0.0004 Å
• α: 61.351 ± 0.001°
• β: 78.554 ± 0.001°
• γ: 63.323 ± 0.001°
• Cell volume: 2374.12 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0215
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.0464
• Weighted residual factors for all reflections included in the refinement: 0.0472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No