Information card for entry 7102906

Structure parameters

• Formula: C38 H32 Cl N3 Zn
• Calculated formula: C38 H32 Cl N3 Zn
• SMILES: [Zn]12(Cl)[N]3=C4C(c5cccc(C(C6=[N]2C(=C(c2n1c(C(=C3C=C4)c1ccccc1)cc2)c1ccccc1)C=C6)(C)C)c5)(C)C
• Title of publication: m-Benziporphodimethene: a new porphyrin analogue fluorescence zinc(II) sensor.
• Authors of publication: Hung, Chen-Hsiung; Chang, Gao-Fong; Kumar, Anil; Lin, Geng-Fong; Luo, Li-Yang; Ching, Wei-Min; Wei-Guang Diau, Eric
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 8
• Pages of publication: 978 - 980
• a: 11.8528 ± 0.0006 Å
• b: 15.8042 ± 0.0009 Å
• c: 16.998 ± 0.001 Å
• α: 90°
• β: 109.888 ± 0.003°
• γ: 90°
• Cell volume: 2994.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1149
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No