Information card for entry 4335007

Structure parameters

• Formula: C40 H54 Ho4 N8 O28
• Calculated formula: C40 H34 Ho4 N8 O28
• SMILES: N1[N]2=Cc3[n]4c5c(cc3)cccc5O[Ho]3524([O]2C=1c1[n]4c(C[OH][Ho]624([OH2])(O[Ho]247([n]8c(C=[N]2N=C2c9[n]%10c(C[OH][Ho]%10(O3)([O]72)(O5)([OH2])[OH2])ccc9)ccc2c8c(ccc2)O4)(O6)([OH2])[OH2])[OH2])ccc1)([OH2])[OH2].CO.CO.CO.O.O.CO.CO.CO.O.O
• Title of publication: Rhombus-Shaped Tetranuclear [Ln4] Complexes [Ln = Dy(III) and Ho(III)]: Synthesis, Structure, and SMM Behavior
• Authors of publication: Vadapalli Chandrasekhar; Sakiat Hossain; Sourav Das; Sourav Biswas; Jean-Pascal Sutter
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 6346 - 6353
• a: 10.431 ± 0.004 Å
• b: 11.43 ± 0.004 Å
• c: 11.838 ± 0.004 Å
• α: 105.04 ± 0.006°
• β: 91.041 ± 0.007°
• γ: 104.007 ± 0.007°
• Cell volume: 1317.6 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1299
• Residual factor for significantly intense reflections: 0.0855
• Weighted residual factors for significantly intense reflections: 0.2179
• Weighted residual factors for all reflections included in the refinement: 0.2797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No