Information card for entry 4345558

Structure parameters

• Formula: C61 H117 Co4 Gd3 N2 O32 P2
• Calculated formula: C61 H117 Co4 Gd3 N2 O32 P2
• SMILES: [Gd]1234567[O]8[Gd]9%10%11%12([O]%13[Co]8%14([O]=C(O2)C(C)(C)C)(N(CC=%13)CC=[O]5%14)OC(=[O]%12)C(C)(C)C)OC(=[O][Co]258[O]([Gd]%12%13%14([O]([Co]%15([O]%12C(=[O]%15)C(C)(C)C)([OH2])([OH2])[O]=C(O%13)C(C)(C)C)P(=[O]9%14)([OH]3)C(C)(C)C)([O]2%10)([OH]P(=[O]1[Co]([O]=C(O7)C(C)(C)C)(OC(=O)C(C)(C)C)[O]=C(O6)C(C)(C)C)([O]49)C(C)(C)C)[O]=C(O8)C(C)(C)C)C=C[NH]5CC=[O]%119)C(C)(C)C
• Title of publication: Modulating Magnetic Refrigeration through Structural Variation in Co(II/III)-Gd(III) Clusters.
• Authors of publication: Sheikh, Javeed Ahmad; Clearfield, Abraham
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 5
• Pages of publication: 2843 - 2848
• a: 12.59 ± 0.03 Å
• b: 14.48 ± 0.04 Å
• c: 25.48 ± 0.06 Å
• α: 99.76 ± 0.04°
• β: 97.78 ± 0.04°
• γ: 105.15 ± 0.05°
• Cell volume: 4339 ± 19 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: 0.1718
• Residual factor for significantly intense reflections: 0.0818
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.185
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No