Information card for entry 7004686

Structure parameters

• Formula: C37 H53 N4 O5 Y3
• Calculated formula: C37 H53 N4 O5 Y3
• SMILES: [Y]123456789([O]%10[Y]%11%12%13%14%15%16%17%18%19([N]%10(CC[N]1([O]3[Y]13%10%20%21%22%23%24%25([N]([O]61)(CC[N]2([O]5%12)C)C)([cH]1[cH]3[cH]%10[cH]%24[cH]%201)[cH]1[cH]%25[cH]%21[cH]%22[cH]%231)C)C)([cH]1[cH]%11[cH]%15[cH]%14[cH]%131)[cH]1[cH]%18[cH]%19[cH]%17[cH]%161)[cH]1[cH]4[cH]9[cH]8[cH]71.O1CCCC1
• Title of publication: Rare-earth metal hydroxylamide complexes
• Authors of publication: Venugopal, Ajay; Hepp, Alexander; Pape, Tania; Mix, Andreas; Mitzel, Norbert W.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 46
• Pages of publication: 6628 - 6633
• a: 14.506 ± 0.002 Å
• b: 15.93 ± 0.002 Å
• c: 16.866 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3897.4 ± 0.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No