Information card for entry 4337335

Structure parameters

• Formula: C78 H74 Co2 F24 Gd2 N4 O16
• Calculated formula: C78 H74 Co2 F24 Gd2 N4 O16
• SMILES: [Gd]12345([O]6[Co]789%10[O]([Gd]%11%12%13%14([O]%15[Co]%16%17([O]%11=C6c6ccccc6)([O]3=C([O]7%12)c3ccccc3)[O]4c3c(C[N]%17(CC[N]%16(C)Cc4c%15c(C)cc(c4)C)C)cc(cc3C)C)([O]=C(C=C(O%14)C(F)(F)F)C(F)(F)F)[O]=C(C(F)(F)F)C=C(O%13)C(F)(F)F)c3c(C)cc(cc3C[N]8(C)CC[N]9(C)Cc3cc(cc(C)c3[O]5%10)C)C)(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F
• Title of publication: Tetranuclear Hetero-Metal [Co(II)2Ln(III)2] (Ln = Gd, Tb, Dy, Ho, La) Complexes Involving Carboxylato Bridges in a Rare μ4-η(2):η(2) Mode: Synthesis, Crystal Structures, and Magnetic Properties.
• Authors of publication: Abtab, Sk Md Towsif; Majee, Mithun Chandra; Maity, Manoranjan; Titiš, Ján; Boča, Roman; Chaudhury, Muktimoy
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 1295 - 1306
• a: 12.487 ± 0.004 Å
• b: 30.961 ± 0.011 Å
• c: 23.215 ± 0.007 Å
• α: 90°
• β: 101.066 ± 0.005°
• γ: 90°
• Cell volume: 8808 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No