Information card for entry 7023518

Structure parameters

• Formula: C31 H22 Cl10 N6 O2 P6
• Calculated formula: C31 H22 Cl10 N6 O2 P6
• SMILES: P1(=NP(=NP(=N1)(Cl)Cl)(Cl)Cl)(Oc1ccc(cc1)C1(c2ccccc2c2ccccc12)c1ccc(OP2(=NP(=NP(=N2)(Cl)Cl)(Cl)Cl)Cl)cc1)Cl.c1ccccc1
• Title of publication: Fluorenylidene bridged cyclotriphosphazenes: 'turn-off' fluorescence probe for Cu(2+) and Fe(3+) ions.
• Authors of publication: Yenilmez Çiftçi, Gönül; Senkuytu, Elif; Durmuş, Mahmut; Yuksel, Fatma; Kılıç, Adem
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 41
• Pages of publication: 14916 - 14926
• a: 8.7833 ± 0.0007 Å
• b: 11.6993 ± 0.0009 Å
• c: 20.9805 ± 0.0017 Å
• α: 85.171 ± 0.003°
• β: 81.964 ± 0.003°
• γ: 81.352 ± 0.003°
• Cell volume: 2106.1 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0307
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No