Information card for entry 4348149

Structure parameters

• Formula: C92 H108 Cl4 Gd4 N12 Ni4 O47.33333
• Calculated formula: C92 H108 Cl4 Gd4 N12 Ni4 O47.3333
• SMILES: Cc1cc2c3c(c1)C=[N]1CC[NH]4CC[N]5=Cc6cc(C)cc7c6[O]6[Gd]89%10%11([OH]C2)([O]3[Ni]1456[OH]8[Gd]12345(O9)[OH]Cc6cc(C)cc8c6[O]1[Ni]169([NH](CC[N]6=C8)CC[N]1=Cc1cc(C)cc(c1[O]29)C[OH]3)[OH]4[Gd]12346([OH]Cc8cc(C)cc9c8[O]1[Ni]18%12([NH](CC[N]8=C9)CC[N]1=Cc1cc(C)cc(c1[O]2%12)C[OH]3)[OH]4[Gd]1234(O6)([OH]Cc6cc(C)cc8c6[O]1[Ni]169([NH](CC[N]6=C8)CC[N]1=Cc1cc(C)cc(c1[O]29)C[OH]3)[OH]%104)O%11)O5)[OH]C7.O.[Cl-].O.OC.O.O.[Cl-].O.OC.O.O.O.O.O.[Cl-].[Cl-].O.O.O.O.OC.OC.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: 34.09 ± 0.005 Å
• b: 34.09 ± 0.005 Å
• c: 34.09 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 39617 ± 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: 0.0391
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No