Information card for entry 4337969

Structure parameters

• Formula: C61 H67 Gd4 N21 O29
• Calculated formula: C61 H67 Gd4 N21 O29
• SMILES: [Gd]1234567([O]8[Gd]9%10%11%12%13([O]([Gd]%14%15%16%17%18([O]%19[Gd]%20%21%22([O](C)c%23cccc(c%19%23)C=[N]%17Nc%17[n]%18cccc%17)([O]1c1c(OC)cccc1C=[N]%21Nc1[n]%22cccc1)([O]2%14)([O]4%10%15)ON(=O)=[O]%20)([O]39)[O]=N(=O)O%16)c1c(OC)cccc1C=[N]%12Nc1[n]%13cccc1)([O](C)c1cccc(c81)C=[N]6Nc1[n]7cccc1)ON(=[O]%11)=O)ON(=[O]5)=O.O=N(=O)[O-].OC.O.O.N#CC.N#CC.N#CC.N#CC
• Title of publication: Tetranuclear Lanthanide(III) Complexes in a Seesaw Geometry: Synthesis, Structure, and Magnetism.
• Authors of publication: Goura, Joydeb; Walsh, James P. S.; Tuna, Floriana; Chandrasekhar, Vadapalli
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 3385
• a: 13.972 ± 0.005 Å
• b: 15.262 ± 0.005 Å
• c: 20.028 ± 0.005 Å
• α: 95.272 ± 0.005°
• β: 95.905 ± 0.005°
• γ: 111.219 ± 0.005°
• Cell volume: 3922 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0438
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No