Information card for entry 7001113

Structure parameters

• Common name: (Gd2Ni2(pro)4(NO3)6(MeCN)4).4(H2O)
• Formula: C28 H52 Gd2 N14 Ni2 O30
• Calculated formula: C28 H44 Gd2 N14 Ni2 O30
• Title of publication: A cyclic tetranuclear Ni2Gd2 complex bridged by amino acidato ligands, with an S = 9 ground state, derived from ferromagnetic spin-coupling between nickel(ii) and gadolinium(iii) ions
• Authors of publication: Igarashi, Satoshi; Kawaguchi, Shin-ichi; Yukawa, Yasuhiko; Tuna, Floriana; Winpenny, Richard E. P.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 17
• Pages of publication: 3140 - 3142
• a: 10.1979 ± 0.0003 Å
• b: 18.8871 ± 0.0005 Å
• c: 15.4161 ± 0.0005 Å
• α: 90°
• β: 99.493 ± 0.001°
• γ: 90°
• Cell volume: 2928.61 ± 0.15 ų
• Cell temperature: 298 ± 1 K
• Ambient diffraction temperature: 298 ± 1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.1472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.208
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No