Information card for entry 4516183

Structure parameters

• Formula: C74 H70 N10 O18 Re4 S4
• Calculated formula: C74 H70 N10 O18 Re4 S4
• SMILES: [Re]12([S]([Re]([S]1Cc1ccccc1)([n]1ccc(cc1)C(=O)NCCNC(=O)c1cc[n]([Re]3([S]([Re]([S]3Cc3ccccc3)([n]3ccc(cc3)C(=O)NCCNC(=O)c3cc[n]2cc3)(C#[O])(C#[O])C#[O])Cc2ccccc2)(C#[O])(C#[O])C#[O])cc1)(C#[O])(C#[O])C#[O])Cc1ccccc1)(C#[O])(C#[O])C#[O].N(C=O)(C)C.N(C=O)(C)C
• Title of publication: Amide-Functionalized Chalcogen-Bridged Flexible Tetranuclear Rhenacycles: Synthesis, Characterization, Solvent Effect on the Structure, and Guest Binding.
• Authors of publication: Karthikeyan, Muthuraman; Ramakrishna, Buthanapalli; Vellaiyadevan, Sivalingam; Divya, Dhanaraj; Manimaran, Bala
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 3
• Pages of publication: 3257 - 3266
• a: 14.247 ± 0.0009 Å
• b: 14.3139 ± 0.0007 Å
• c: 25.3456 ± 0.0014 Å
• α: 79.388 ± 0.005°
• β: 82.079 ± 0.005°
• γ: 84.365 ± 0.005°
• Cell volume: 5017.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1988
• Residual factor for significantly intense reflections: 0.0908
• Weighted residual factors for significantly intense reflections: 0.2184
• Weighted residual factors for all reflections included in the refinement: 0.2575
• Goodness-of-fit parameter for all reflections included in the refinement: 0.879
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No