Information card for entry 4348603

Structure parameters

• Formula: C78 H182 Co2 Gd6 N6 O55 P6
• Calculated formula: C78 H182 Co2 Gd6 N6 O55 P6
• SMILES: C1CN2CC[O]3[Co]4562[NH](CC[O]25[Gd]5789%10([O]14)OP(=O)([O]5[Gd]145%11([O]8[Gd]8%12%13([O]4)([O]4P(=O)(O[Gd]%14%15%164([O]4CC[NH]%17CC[O]%18[Co]%19%204%17[NH](CC[O]%14%19[Gd]4%14%18([O]=P(O1)(C(C)(C)C)O%16)([O]=C(C(C)(C)C)O%20)([O]=C(C(C)(C)C)O4)[O]%15P(C(C)(C)C)(=[O]%11)O%14)CCO)([O]=C(C(C)(C)C)O%13)[O]58)C(C)(C)C)([O]=P(O[Gd]1432([O]=C(C(C)(C)C)O6)([O]=C(C(C)(C)C)O1)[O]9P(C(C)(C)C)(=[O]4)O%12)(O%10)C(C)(C)C)[OH]CCNCCO)([OH]CCNCCO)[O]=C(C(C)(C)C)O7)C(C)(C)C)CCO.O.O.O.O.O.O.O.O.O.O
• Title of publication: Heterometallic Co(III)-Gd(III) Clusters as Magnetic Refrigerants.
• Authors of publication: Sheikh, Javeed Ahmad; Clearfield, Abraham
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 17
• Pages of publication: 8254 - 8256
• a: 43.989 ± 0.007 Å
• b: 12.6726 ± 0.0018 Å
• c: 32.259 ± 0.005 Å
• α: 90°
• β: 132.478 ± 0.004°
• γ: 90°
• Cell volume: 13263 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No