Information card for entry 4301737

Structure parameters

• Formula: C48 H63 Fe N4 O5
• Calculated formula: C48 H54 Fe N4 O5
• SMILES: [Fe]1234(Oc5c(cc(cc5C(C)(C)C)C(C)(C)C)C[N]3(CC(=O)O2)Cc2cc(cc(c2O1)C(C)(C)C)C(C)(C)C)[n]1c2c(ccc3c2[n]4ccc3)ccc1.N#CC.OCC
• Title of publication: An Iron Complex of Dipyridophenazine as a Potent Photocytotoxic Agent in Visible Light
• Authors of publication: Sounik Saha; Ritankar Majumdar; Mithun Roy; Rajan R. Dighe; Akhil R. Chakravarty
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 2652 - 2663
• a: 9.657 ± 0.003 Å
• b: 14.179 ± 0.004 Å
• c: 18.778 ± 0.005 Å
• α: 104.387 ± 0.005°
• β: 102.537 ± 0.006°
• γ: 103.424 ± 0.005°
• Cell volume: 2317.2 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1055
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1548
• Weighted residual factors for all reflections included in the refinement: 0.1768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No