Information card for entry 4348147

Structure parameters

• Formula: C88 H112 Cl4 Dy4 N12 Ni4 O30.66667
• Calculated formula: C88 H112 Cl4 Dy4 N12 Ni4 O30.6667
• SMILES: c12c3cc(C)cc1C=[N]1CC[NH]4CC[N]5=Cc6cc(C)cc7c6[O]6[Ni]8145[O]2[Dy]1246([OH]8[Dy]5689%10([OH]Cc%11c%12c(cc(c%11)C)C=[N]%11CCN%13CC[N]%14=Cc%15cc(C)cc(C[OH]5)c%15[O]8[Ni]%11%13%14([O]9%12)[OH]%10[Dy]589%10%11([O]%12c%13c(C=[N]%14CCN%15CC[N]%16=Cc%17c(c(cc(C)c%17)C[OH]%10)[O]5[Ni]%12%14%15%16[OH]8[Dy]58%10%12([OH]1)([OH]Cc1c%14c(cc(c1)C)C=[N]1CCN%15CC[N]%16=Cc%17cc(C)cc(C[OH]5)c%17[O]8[Ni]1%15%16([O]%10%14)[OH]2%12)[OH]9)cc(C)cc%13C[OH]%11)[OH]6)[OH]4)([OH]C3)[OH]C7.O.[Cl-].O.O.[Cl-].O.O.O.[Cl-].[Cl-].O
• Title of publication: Octanuclear Heterobimetallic {Ni4Ln4} Assemblies Possessing Ln4 Square Grid [2 ×2] Motifs: Synthesis, Structure, and Magnetism.
• Authors of publication: Biswas, Sourav; Goura, Joydeb; Das, Sourav; Topping, Craig V.; Brambleby, Jamie; Goddard, Paul A.; Chandrasekhar, Vadapalli
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 17
• Pages of publication: 8422 - 8436
• a: 34.04 ± 0.005 Å
• b: 34.04 ± 0.005 Å
• c: 34.04 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 39443 ± 10 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 220
• Hermann-Mauguin space group symbol: I -4 3 d
• Hall space group symbol: I -4bd 2c 3
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No