Information card for entry 7041435

Structure parameters

• Formula: C22 H46 Co2 Er N O21 P6
• Calculated formula: C22 H46 Co2 Er N O21 P6
• SMILES: [Er]12345(O[P](OC)(OC)[Co]6789([P](O1)(OC)OC)([P](O2)(OC)OC)[cH]1[cH]7[cH]8[cH]9[cH]61)(O[P](OC)(OC)[Co]1267([P](O3)(OC)OC)([P](O4)(OC)OC)[cH]3[cH]1[cH]2[cH]7[cH]63)ON(=[O]5)=O
• Title of publication: Slow relaxation dynamics of a mononuclear Er(iii) complex surrounded by a ligand environment with anisotropic charge density.
• Authors of publication: Lim, Kwang Soo; Kang, Dong Won; Song, Jeong Hwa; Lee, Han Geul; Yang, Mino; Hong, Chang Seop
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 3
• Pages of publication: 739 - 744
• a: 12.273 ± 0.0005 Å
• b: 19.4424 ± 0.0007 Å
• c: 16.7578 ± 0.0006 Å
• α: 90°
• β: 102.974 ± 0.002°
• γ: 90°
• Cell volume: 3896.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1483
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No