Information card for entry 4348150

Structure parameters

• Formula: C88 H108 Cl4 Ho4 N12 Ni4 O54.66667
• Calculated formula: C88 H108 Cl4 Ho4 N12 Ni4 O54.6667
• SMILES: c12c3c(cc(c1)C)C=[N]1CC[NH]4CC[N]5=Cc6c7[O]8[Ho]9%10%11%12([OH]C2)([O]3[Ni]1458[O]9[Ho]12345(O%10)[OH]Cc8c9c(cc(c8)C)C=[N]8CC[NH]%10CC[N]%13=Cc%14c([O]3[Ni]8%10%13([O]19)[O]2[Ho]12389([OH]Cc%10c%13c(cc(c%10)C)C=[N]%10CC[NH]%15CC[N]%16=Cc%17c([O]3[Ni]%10%15%16([O]1%13)[O]2[Ho]123%10(O9)([OH]Cc9c%13c(cc(c9)C)C=[N]9CC[NH]%15CC[N]%16=Cc%18c([O]3[Ni]9%15%16([O]1%13)[O]%112)c(cc(c%18)C)C[OH]%10)O%12)c(cc(c%17)C)C[OH]8)O5)c(cc(c%14)C)C[OH]4)[OH]Cc7cc(c6)C.O.[Cl-].O.O.O.O.O.[Cl-].O.O.O.O.O.O.O.O.O.O.O.O.O.[Cl-].[Cl-].O.O.O.O.O.O.O.O.O.O.O.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: 34.057 ± 0.005 Å
• b: 34.057 ± 0.005 Å
• c: 34.057 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 39502 ± 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: 0.0396
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No