Information card for entry 1515896

Structure parameters

• Formula: C42 H22 Cl12 N4 O10
• Calculated formula: C42 H22 Cl12 N4 O10
• SMILES: Oc1c(Cl)c(Cl)c(c(c1Cl)Cl)O.Oc1c(Cl)c(Cl)c(c(c1Cl)Cl)O.Oc1c(Cl)c(Cl)c(c(c1Cl)Cl)O.O=c1cc2oc3ccccc3nc2cc1N.O=c1cc2oc3ccccc3nc2cc1N
• Title of publication: Structure and antibacterial activity of the silver(I) complex of 2-aminophenoxazine-3-one.
• Authors of publication: Pandurangan, Komala; Gallagher, Shane; Morgan, Grace G.; Müller-Bunz, Helge; Paradisi, Francesca
• Journal of publication: Metallomics : integrated biometal science
• Year of publication: 2010
• Journal volume: 2
• Journal issue: 8
• Pages of publication: 530 - 534
• a: 9.3384 ± 0.0013 Å
• b: 10.8469 ± 0.0015 Å
• c: 12.0839 ± 0.0016 Å
• α: 99.18 ± 0.003°
• β: 104.737 ± 0.003°
• γ: 109.772 ± 0.003°
• Cell volume: 1072.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0506
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No