Information card for entry 7126555

Structure parameters

• Formula: C65 H74 K N2 O3 Re
• Calculated formula: C65 H74 K N2 O3 Re
• SMILES: [Re](C#[N]c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(C#[N]c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(C#[O])(C#[O])C#[O].[K+]
• Title of publication: A closed-shell monomeric rhenium(1-) anion provided by m-terphenyl isocyanide ligation.
• Authors of publication: Salsi, Federico; Neville, Michael; Drance, Myles; Hagenbach, Adelheid; Chan, Chinglin; Figueroa, Joshua S.; Abram, Ulrich
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 51
• Pages of publication: 7009 - 7012
• a: 10.5021 ± 0.0005 Å
• b: 12.1274 ± 0.0006 Å
• c: 25.1217 ± 0.0013 Å
• α: 84.635 ± 0.001°
• β: 87.156 ± 0.002°
• γ: 66.182 ± 0.001°
• Cell volume: 2914 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0268
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections included in the refinement: 0.0552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No