Information card for entry 7111392

Structure parameters

• Formula: C54 H66 Br3 Cu3 N6 Na O27 Sr
• Calculated formula: C54 H66 Br3 Cu3 N6 Na O27 Sr
• SMILES: [Sr]123([O]=C4[O]1[Cu]15([OH2])[N](=Cc6c(O5)ccc(c6)Br)CC(=O)N1[C@H]4Cc1ccc(cc1)O)([O]=C1[O]2[Cu]24([OH2])[N](=Cc5c(O2)ccc(c5)Br)CC(=O)N4[C@H]1Cc1ccc(cc1)O)[O]=C1[O]3[Cu]23([OH2])[N](=Cc4c(O2)ccc(c4)Br)CC(=O)N3[C@H]1Cc1ccc(cc1)O.[Na+].O.O.O.O.O.O.O.O.O
• Title of publication: Self-assembly of a 1D heterotrimetallic Cu(ii)-Sr(ii)-Na(i) propeller-like chiral coordination polymer with ferromagnetic interactions
• Authors of publication: Liu, Wenlong; Song, You; Li, Yizhi; Zou, Yang; Dang, Dongbin; Ni, Chunlin; Meng, Qingjin
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 20
• Pages of publication: 2348 - 2349
• a: 27.673 ± 0.003 Å
• b: 27.673 ± 0.003 Å
• c: 7.458 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4946.1 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No