Information card for entry 4086089

Structure parameters

• Formula: C98 H102 B2 F48 N8 O3 Y2
• Calculated formula: C98 H102 B2 F48 N8 O3 Y2
• Title of publication: Yttrium Dihydride Cation [YH2(THF)2]+n: Aggregate Formation and Reaction with (NNNN)-Type Macrocycles
• Authors of publication: Arndt, Stefan; Kramer, Mathias U.; Fegler, Waldemar; Nakajima, Yumiko; Del Rosal, Iker; Poteau, Romuald; Spaniol, Thomas P.; Maron, Laurent; Okuda, Jun
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 15
• Pages of publication: 3739
• a: 12.5841 ± 0.001 Å
• b: 19.2813 ± 0.0015 Å
• c: 22.6717 ± 0.0017 Å
• α: 90°
• β: 96.5372 ± 0.0016°
• γ: 90°
• Cell volume: 5465.2 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1489
• Residual factor for significantly intense reflections: 0.0907
• Weighted residual factors for significantly intense reflections: 0.2429
• Weighted residual factors for all reflections included in the refinement: 0.2782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No