Information card for entry 7040735

Structure parameters

• Formula: C28 H26 Fe N4 O4
• Calculated formula: C28 H26 Fe N4 O4
• SMILES: [Fe]12345678([c]9(/C(=N/N=C/c%10cccc(O)c%10O)C)[cH]2[cH]8[cH]7[cH]59)[cH]2[cH]4[cH]1[c]3(/C(=N/N=C/c1c(O)c(O)ccc1)C)[cH]62
• Title of publication: Windmill-shaped octanuclear Zn/Ln (Ln(III) = Dy, Tb, Ho) heterometallic ensembles supported by a tetraferrocene scaffold.
• Authors of publication: Chakraborty, Amit; Goura, Joydeb; Bag, Prasenjit; Bar, Arun Kumar; Sutter, Jean-Pascal; Chandrasekhar, Vadapalli
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 44
• Pages of publication: 17633 - 17643
• a: 8.569 ± 0.005 Å
• b: 10.614 ± 0.005 Å
• c: 26.676 ± 0.005 Å
• α: 86.021 ± 0.005°
• β: 89.484 ± 0.005°
• γ: 88.934 ± 0.005°
• Cell volume: 2419.9 ± 1.9 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: 0.0573
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No