Information card for entry 1568684

Structure parameters

• Formula: C84 H125 Cl N2 Y
• Calculated formula: C84 H125 Cl N2 Y
• Title of publication: A rare isocyanide derived from an unprecedented neutral yttrium(ii) bis(amide) complex.
• Authors of publication: Jena, Rashmi; Benner, Florian; Delano, 4th, Francis; Holmes, Daniel; McCracken, John; Demir, Selvan; Odom, Aaron L.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 16
• Pages of publication: 4257 - 4264
• a: 39.603 ± 0.0005 Å
• b: 16.4949 ± 0.0002 Å
• c: 25.0473 ± 0.0003 Å
• α: 90°
• β: 91.017 ± 0.001°
• γ: 90°
• Cell volume: 16359.5 ± 0.3 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1564
• Weighted residual factors for all reflections included in the refinement: 0.1727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No