Information card for entry 1551235

Structure parameters

• Common name: [Fe2]
• Formula: C36 H38 Cl2 Fe2 N6 O12
• Calculated formula: C36 H38 Cl2 Fe2 N6 O12
• SMILES: C1(c2c(OC)cccc2)N[O]2[Fe]3([O]=1)(ONC(=[O]3)c1c(OC)cccc1)(Cl)[O]1NC(c3c(cccc3)OC)=[O][Fe]321(ONC(=[O]3)c1c(OC)cccc1)Cl.N#CC.N#CC
• Title of publication: Mono- and ditopic hydroxamate ligands towards discrete and extended network architectures.
• Authors of publication: Fugu, Mohammed B.; Ellaby, Rebecca J.; O'Connor, Helen M; Pitak, Mateusz B.; Klooster, Wim; Horton, Peter N.; Coles, Simon J.; Al-Mashhadani, Mohammed H; Perepichka, Igor F.; Brechin, Euan K.; Jones, Leigh F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 27
• Pages of publication: 10180 - 10190
• a: 10.0272 ± 0.0003 Å
• b: 10.6948 ± 0.0003 Å
• c: 10.8905 ± 0.0004 Å
• α: 76.76 ± 0.003°
• β: 65.622 ± 0.003°
• γ: 69.977 ± 0.003°
• Cell volume: 994.2 ± 0.06 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No