Information card for entry 7701443

Structure parameters

• Formula: C35 H25 Cl Fe N7 O8
• Calculated formula: C35 H25 Cl Fe N7 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: 13.22 ± 0.019 Å
• b: 14.16 ± 0.02 Å
• c: 14.36 ± 0.02 Å
• α: 97.572 ± 0.018°
• β: 112.542 ± 0.017°
• γ: 116.508 ± 0.017°
• Cell volume: 2067 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0795
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1733
• Weighted residual factors for all reflections included in the refinement: 0.2015
• Goodness-of-fit parameter for all reflections included in the refinement: 0.695
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No