Information card for entry 7030748

Structure parameters

• Formula: C20 H8 N2 O6 Re2 S6
• Calculated formula: C20 H8 N2 O6 Re2 S6
• SMILES: C(#[O])[Re]12(C#[O])(C#[O])[n]3c(S[S]1[Re]1(C#[O])(C#[O])(C#[O])[n]4c(sc5ccccc45)S[S]21)sc1ccccc31
• Title of publication: Ligand-coupling assembly of Re(i)-thiolate complexes.
• Authors of publication: Tzeng, Biing-Chiau; Chao, An; Banik, Manas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 30
• Pages of publication: 11510 - 11515
• a: 7.431 ± 0.003 Å
• b: 9.156 ± 0.004 Å
• c: 9.918 ± 0.004 Å
• α: 73.722 ± 0.006°
• β: 70.374 ± 0.006°
• γ: 74.707 ± 0.006°
• Cell volume: 599.3 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0198
• Residual factor for significantly intense reflections: 0.0191
• Weighted residual factors for significantly intense reflections: 0.0461
• Weighted residual factors for all reflections included in the refinement: 0.0466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No