Information card for entry 7015459

Structure parameters

• Formula: C49 H47 Cl11 N6 O12 Zn
• Calculated formula: C49 H47 Cl11 N6 O12 Zn
• Title of publication: Methoxy-substituted isoTQEN family for enhanced fluorescence response toward zinc ion.
• Authors of publication: Mikata, Yuji; Yamashita, Azusa; Kawata, Keiko; Konno, Hideo; Itami, Saori; Yasuda, Keiko; Tamotsu, Satoshi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 16
• Pages of publication: 4059 - 4066
• a: 11.126 ± 0.003 Å
• b: 14.949 ± 0.004 Å
• c: 18.944 ± 0.005 Å
• α: 67.746 ± 0.007°
• β: 89.809 ± 0.01°
• γ: 82.927 ± 0.009°
• Cell volume: 2890.7 ± 1.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0627
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No