Information card for entry 4347452

Structure parameters

• Formula: C92 H112 Gd4 N16 O34
• Calculated formula: C92 H104 Gd4 N16 O34
• SMILES: [Gd]1234567[N](=Cc8c(c(ccc8)OCC)O6)NC(CCC6N[N]8[Gd]9%10%11%12%13([N](=Cc%14cccc(c%14O%12)OCC)NC(CCC(N[N]1=Cc1c(c(ccc1)OCC)[O]7[Gd]17%12%14%15([N](=Cc%16c(c(ccc%16)OCC)[O]37)NC(CCC3N[N]7[Gd]%16%17([N](=Cc%18c(c(ccc%18)OCC)[O]%11%17)NC(CCC(N[N]1=Cc1cccc(c1O%15)OCC)=[O]%14)=[O]%16)([O]9c1c(cccc1C=8)OCC)([OH]%13)(Oc1c(C=7)cccc1OCC)[O]=3)=[O]%12)[OH]5)=[O]4)=[O]%10)[O]=6)=[O]2.CC(=O)[O-].CC(=O)[O-].O.O.O.O
• Title of publication: Lanthanide-Directed Fabrication of Four Tetranuclear Quadruple Stranded Helicates Showing Magnetic Refrigeration and Slow Magnetic Relaxation.
• Authors of publication: Mondal, Amit Kumar; Jena, Himanshu Sekhar; Malviya, Amita; Konar, Sanjit
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 5237 - 5244
• a: 17.336 ± 0.003 Å
• b: 17.945 ± 0.003 Å
• c: 18.528 ± 0.003 Å
• α: 108.258 ± 0.005°
• β: 94.285 ± 0.005°
• γ: 90.647 ± 0.005°
• Cell volume: 5454.8 ± 1.6 ų
• Cell temperature: 106 ± 2 K
• Ambient diffraction temperature: 106 ± 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: 0.1056
• Residual factor for significantly intense reflections: 0.0898
• Weighted residual factors for significantly intense reflections: 0.2054
• Weighted residual factors for all reflections included in the refinement: 0.2144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.233
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No