Information card for entry 4348004

Structure parameters

• Formula: C25 H18 Cl2 Co N3 O
• Calculated formula: C25 H18 Cl2 Co N3 O
• SMILES: [Co]123(Cl)(Cl)Oc4c(C=[N]3c3c([N]2=C(c2[n]1cccc2)c1ccccc1)cccc3)cccc4
• Title of publication: Oxidovanadium(iv), oxidomolybdenum(vi) and cobalt(iii) complexes of o-phenylenediamine derivatives: oxidative dehydrogenation and photoluminescence
• Authors of publication: Chaudhuri, Satyabrata; Bera, Sachinath; Biswas, Manas Kumar; Roy, Amit Saha; Weyhermüller, Thomas; Ghosh, Prasanta
• Journal of publication: Inorg. Chem. Front.
• Year of publication: 2014
• Journal volume: 1
• Journal issue: 4
• Pages of publication: 331
• a: 9.3416 ± 0.0005 Å
• b: 12.8676 ± 0.0007 Å
• c: 19.8225 ± 0.0011 Å
• α: 90°
• β: 103.333 ± 0.003°
• γ: 90°
• Cell volume: 2318.5 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0609
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No