Information card for entry 7004056

Structure parameters

• Formula: C30 H38 Cl Fe N2 O2
• Calculated formula: C30 H38 Cl Fe N2 O2
• SMILES: [Fe]123(Cl)Oc4c(C[N]2(Cc2cc(cc(c2O1)C(C)(C)C)C)Cc1[n]3cccc1)cc(cc4C(C)(C)C)C
• Title of publication: Synthesis and structure of iron(iii) diamine-bis(phenolate) complexes
• Authors of publication: Hasan, Kamrul; Fowler, Candace; Kwong, Philip; Crane, Angela K.; Collins, Julie L.; Kozak, Christoper M.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 22
• Pages of publication: 2991 - 2998
• a: 9.0384 ± 0.0005 Å
• b: 12.5782 ± 0.0004 Å
• c: 13.4162 ± 0.0006 Å
• α: 67.583 ± 0.004°
• β: 83.809 ± 0.005°
• γ: 78.145 ± 0.005°
• Cell volume: 1379.18 ± 0.12 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.043
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No