Information card for entry 7023683

Structure parameters

• Formula: C25 H20 Cl2 Fe N3 O
• Calculated formula: C25 H20 Cl2 Fe N3 O
• SMILES: [Fe]123(Cl)(Cl)Oc4ccccc4C=[N]1c1ccccc1[NH]2C(c1cccc[n]31)c1ccccc1
• Title of publication: Zinc(ii), iron(ii/iii) and ruthenium(ii) complexes of o-phenylenediamine derivatives: oxidative dehydrogenation and photoluminescence.
• Authors of publication: Chaudhuri, Satyabrata; Patra, Sarat Chandra; Saha, Pinaki; Saha Roy, Amit; Maity, Suvendu; Bera, Sachinath; Saha Sardar, Pinki; Ghosh, Sanjib; Weyhermüller, Thomas; Ghosh, Prasanta
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 42
• Pages of publication: 15028 - 15042
• a: 10.1502 ± 0.0012 Å
• b: 17.429 ± 0.003 Å
• c: 14.446 ± 0.003 Å
• α: 90°
• β: 91.454 ± 0.015°
• γ: 90°
• Cell volume: 2554.8 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No