Information card for entry 4516185

Structure parameters

• Formula: C102 H96 N12 O20 Re4 S4
• Calculated formula: C102 H96 N12 O20 Re4 S4
• SMILES: [Re]12([S]([Re]([S]1c1ccc(cc1)C)([n]1ccc(cc1)C(=O)Nc1ccc(cc1)Cc1ccc(NC(=O)c3cc[n]([Re]4([S]([Re]([S]4c4ccc(cc4)C)([n]4ccc(C(=O)Nc5ccc(Cc6ccc(NC(=O)c7cc[n]2cc7)cc6)cc5)cc4)(C#[O])(C#[O])C#[O])c2ccc(cc2)C)(C#[O])(C#[O])C#[O])cc3)cc1)(C#[O])(C#[O])C#[O])c1ccc(C)cc1)(C#[O])(C#[O])C#[O].O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(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: 14.9664 ± 0.0007 Å
• b: 17.7611 ± 0.0008 Å
• c: 22.4582 ± 0.0011 Å
• α: 92.133 ± 0.004°
• β: 101.334 ± 0.004°
• γ: 106.648 ± 0.004°
• Cell volume: 5580.2 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 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: 0.0969
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No