Information card for entry 7023520

Structure parameters

• Formula: C50 H36 Cl8 N10 P6
• Calculated formula: C50 H36 Cl8 N10 P6
• SMILES: P12(=NP(=NP(=N1)(Cl)Cl)(Cl)Cl)Nc1ccc(cc1)C1(c3ccccc3c3ccccc13)c1ccc(NP3(=NP(=NP(=N3)(Cl)Cl)(Cl)Cl)Nc3ccc(C4(c5ccc(N2)cc5)c2ccccc2c2ccccc42)cc3)cc1
• 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: 18.5437 ± 0.0009 Å
• b: 14.2005 ± 0.0007 Å
• c: 23.3838 ± 0.0011 Å
• α: 90°
• β: 103.14 ± 0.003°
• γ: 90°
• Cell volume: 5996.4 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0862
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No