Information card for entry 7011342

Structure parameters

• Formula: C25 H42 Cl N5 O7 S Zn
• Calculated formula: C25 H36 Cl N5 O7 S Zn
• Title of publication: Synthesis and characterization of the zinc(ii)-fluorophore, 5-dimethylaminonaphthalene-1-sulfonic acid [2-(1,5,9-triazacyclododec-1-yl)ethyl]amide and its zinc(ii) complex
• Authors of publication: Koike, Tohru; Abe, Tomoko; Takahashi, Makoto; Ohtani, Kazuhiro; Kimura, Eiichi; Shiro, Motoo
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 8
• Pages of publication: 1764
• a: 9.1608 ± 0.0003 Å
• b: 14.6563 ± 0.0003 Å
• c: 21.6568 ± 0.0007 Å
• α: 90°
• β: 97.862 ± 0.001°
• γ: 90°
• Cell volume: 2880.38 ± 0.15 ų
• Cell temperature: 113.2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No