Information card for entry 4101391

Structure parameters

• Formula: C70 H144 Cl12 N4 Ni O12 Re3
• Calculated formula: C70 H144 Cl12 N4 Ni O12 Re3
• SMILES: [Re]1(Cl)(Cl)(Cl)(Cl)[O]=C2C(=[O][Ni]34(O2)([O]=C2C(O3)=[O][Re](Cl)(Cl)(Cl)(Cl)O2)[O]=C2C(=[O][Re](Cl)(Cl)(Cl)(Cl)O2)O4)O1.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: A Heterotetranuclear [NiIIReIV3] single-molecule magnet.
• Authors of publication: Martínez-Lillo, José; Armentano, Donatella; De Munno, Giovanni; Wernsdorfer, Wolfgang; Julve, Miguel; Lloret, Francesc; Faus, Juan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 44
• Pages of publication: 14218 - 14219
• a: 10.2288 ± 0.0004 Å
• b: 16.9751 ± 0.0006 Å
• c: 30.7998 ± 0.0011 Å
• α: 76.139 ± 0.001°
• β: 80.669 ± 0.002°
• γ: 78.504 ± 0.002°
• Cell volume: 5051.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0949
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1352
• Weighted residual factors for all reflections included in the refinement: 0.1731
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No