Information card for entry 7701441

Structure parameters

• Formula: C38 H30 Fe N4 O8
• Calculated formula: C38 H30 Fe N4 O8
• Title of publication: Dioxygen Reactivity of Iron(II)-Gentisate/1,4-Dihydroxy-2-naphthoate Complexes of N4 Ligands: Oxidative Coupling of 1,4-Dihydroxy-2-naphthoate
• Authors of publication: Paine, Tapan Kanti; Rahaman, Rubina; Munshi, Sandip; Banerjee, Sridhar; Chakraborty, Biswarup; Bhunia, Sarmistha
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 9.834 ± 0.005 Å
• b: 11.435 ± 0.006 Å
• c: 16.182 ± 0.008 Å
• α: 82.691 ± 0.016°
• β: 87.388 ± 0.019°
• γ: 74.6 ± 0.015°
• Cell volume: 1740 ± 1.5 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: 0.0731
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1511
• Goodness-of-fit parameter for all reflections included in the refinement: 0.814
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No