Information card for entry 7041432

Structure parameters

• Formula: C22 H46 Co2 Gd N O21 P6
• Calculated formula: C22 H46 Co2 Gd N O21 P6
• SMILES: [Gd]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]6[cH]7[cH]2[cH]13)[O]=N(O5)=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: 12.4201 ± 0.0002 Å
• b: 19.5445 ± 0.0004 Å
• c: 16.8392 ± 0.0003 Å
• α: 90°
• β: 102.459 ± 0.0008°
• γ: 90°
• Cell volume: 3991.37 ± 0.13 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: 0.0331
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No