Information card for entry 7004684

Structure parameters

• Formula: C48 H48 N2 O2 Y2
• Calculated formula: C48 H48 N2 O2 Y2
• SMILES: [cH]12[cH]3[Y]456789%10%112([cH]([cH]14)[cH]35)([O]1[N]([Y]2345%12%13%14%151([cH]1[cH]2[cH]3[cH]4[cH]51)([cH]1[cH]%13[cH]%14[cH]%15[cH]%121)[O]%10[N]9(Cc1ccccc1)Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1)[cH]1[cH]%11[cH]8[cH]7[cH]61
• 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: 8.4551 ± 0.0014 Å
• b: 10.8881 ± 0.0018 Å
• c: 11.546 ± 0.0019 Å
• α: 84.601 ± 0.003°
• β: 76.727 ± 0.003°
• γ: 71.717 ± 0.003°
• Cell volume: 982 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No