Information card for entry 7228006

Structure parameters

• Common name: 2[Gd(dipic)3] 2[CoEn3] * 17(H2O)
• Formula: C27 H50 Co Gd N9 O20.5
• Calculated formula: C27 H50 Co Gd N9 O20.5
• SMILES: [Gd]123456([n]7c(cccc7C(=O)O2)C(=O)O1)([n]1c(cccc1C(=O)O4)C(=O)O3)[n]1c(cccc1C(=O)O6)C(=O)O5.[Co]123([NH2]CC[NH2]1)([NH2]CC[NH2]2)[NH2]CC[NH2]3.O.O.O.O.O.O.O.O.O
• Title of publication: Chiral discrimination in solid-state interactions of cobalt(iii)–polyamine complex cations with tris-(dipicolinato)lanthanate(iii) anions
• Authors of publication: Harrowfield, Jack M.; Kim, Yang; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 17
• Pages of publication: 2372
• a: 10.5112 ± 0.0005 Å
• b: 16.4981 ± 0.0007 Å
• c: 22.863 ± 0.001 Å
• α: 90°
• β: 90.391 ± 0.001°
• γ: 90°
• Cell volume: 3964.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No