Information card for entry 4348602

Structure parameters

• Formula: C102 H182 Co2 Gd9 N4 O50 P4
• Calculated formula: C102 H182 Co2 Gd9 N4 O50 P4
• SMILES: [Gd]123456[O]7[Gd]89%10%11%12[O]%13[Gd]%14%15%16%17([O]%18[Gd]%19%20%21([O]%22%23[Gd]%24%25([O]%26[Co]%27%28%22([NH](CC%23)CC[O]%20%27)[O]%19CC[NH]%28CC%26)([O]=P%18(O9)C(C)(C)C)([O]=C(O[Gd]97([O]%12P(=[O]%21)([O]%11%14)C(C)(C)C)([O]5C(=[O]9)C(C)(C)C)([O]=C(O6)C(C)(C)C)[O]=C(O%24)C(C)(C)C)C(C)(C)C)OC(=[O]%25)C(C)(C)C)([O]=C(O%16)C(C)(C)C)[O]=C(O%17)C(C)(C)C)[O]5C(=[O][Gd]67%135([O]=P(O[Gd]59%11([O]%12[Co]%13%14%16%17[O]([Gd]%18([O]9%16CC[NH]%17CC[O]5%14)([O]=P([O]1%11)(O8)C(C)(C)C)([O]=C(O6)C(C)(C)C)([O]=C(O7)C(C)(C)C)OC(=[O]%18)C(C)(C)C)CC[NH]%13CC%12)([O]=C(O3)C(C)(C)C)[O]=C(O4)C(C)(C)C)([O]2%10)C(C)(C)C)[O]=C(O%15)C(C)(C)C)C(C)(C)C
• 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: 18.9986 ± 0.0018 Å
• b: 20.974 ± 0.002 Å
• c: 22.6 ± 0.002 Å
• α: 65.179 ± 0.005°
• β: 87.688 ± 0.005°
• γ: 73.197 ± 0.005°
• Cell volume: 7790.6 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1046
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.187
• Weighted residual factors for all reflections included in the refinement: 0.2017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No