Information card for entry 4350409

Structure parameters

• Formula: C46 H44 Cl2 N6 O12 Zn
• Calculated formula: C46 H44 Cl2 N6 O12 Zn
• SMILES: [Zn]1234[N](CC[N]1(Cc1[n]3c3ccc(OC)cc3cc1)Cc1[n]4c3ccc(OC)cc3cc1)(Cc1[n]2c2ccc(OC)cc2cc1)Cc1nc2ccc(OC)cc2cc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Methoxy-substituted TQEN family of fluorescent zinc sensors.
• Authors of publication: Mikata, Yuji; Wakamatsu, Motoko; Kawamura, Ayano; Yamanaka, Natsuko; Yano, Shigenobu; Odani, Akira; Morihiro, Kazuko; Tamotsu, Satoshi
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 23
• Pages of publication: 9262 - 9268
• a: 12.355 ± 0.003 Å
• b: 13.418 ± 0.003 Å
• c: 13.574 ± 0.003 Å
• α: 80.628 ± 0.006°
• β: 88.203 ± 0.007°
• γ: 76.681 ± 0.006°
• Cell volume: 2160.5 ± 0.9 ų
• Cell temperature: 173.1 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 significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No