Information card for entry 4516091

Structure parameters

• Formula: C64 H40 Cl2 O12 P2 Re2 S4
• Calculated formula: C64 H40 Cl2 O12 P2 Re2 S4
• SMILES: [Re]12([O]=P(c3sc4c(c3)c3c(sc5c3c3c(sc6c3c3c(sc(P(=[O][Re]7(Oc8c(Cl)c(O1)c(O2)c(Cl)c8O7)(C#[O])(C#[O])C#[O])(c1ccccc1)c1ccccc1)c3)cc6)c(c5CCC)CCC)cc4)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O]
• Title of publication: Dirhenium Coordination Complex Endowed with an Intrinsically Chiral Helical-Shaped Diphosphine Oxide.
• Authors of publication: Procopio, Elsa Quartapelle; Dova, Davide; Cauteruccio, Silvia; Forni, Alessandra; Licandro, Emanuela; Panigati, Monica
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 9
• Pages of publication: 11649 - 11654
• a: 19.755 ± 0.005 Å
• b: 13.633 ± 0.004 Å
• c: 24.145 ± 0.007 Å
• α: 90°
• β: 103.603 ± 0.003°
• γ: 90°
• Cell volume: 6320 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0939
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No