Information card for entry 2203535

Structure parameters

• Chemical name: Bis[2-(cyclopropyliminiomethyl)naphthalato]dithiocyanatozinc(II)
• Formula: C30 H26 N4 O2 S2 Zn
• Calculated formula: C30 H26 N4 O2 S2 Zn
• SMILES: [Zn](Oc1c(c2ccccc2cc1)/C=[NH+]/C1CC1)([OH]c1c(c2ccccc2cc1)/C=N/C1CC1)(N=C=S)N=C=S
• Title of publication: A butterfly-shaped Schiff base complex: bis[2-(cyclopropyliminiomethyl)naphthalato]dithiocyanatozinc(II)
• Authors of publication: You, Zhong-Lu; Zhu, Hai-Liang; Liu, Wei-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: m560 - m562
• a: 8.849 ± 0.002 Å
• b: 9.803 ± 0.002 Å
• c: 17.019 ± 0.003 Å
• α: 86.25 ± 0.03°
• β: 86.22 ± 0.03°
• γ: 67.2 ± 0.03°
• Cell volume: 1356.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1244
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.1716
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes