Information card for entry 7211900

Structure parameters

• Formula: C30 H46 N8 O6 S8 Zn2
• Calculated formula: C30 H46 N8 O6 S8 Zn2
• SMILES: C1(N(CCO)C)=[S][Zn]2([n]3cccc(c3)C/N=C(\O)/C(=N/Cc3ccc[n]([Zn]45([S]=C(N(CCO)C)S4)[S]=C(N(CCO)C)S5)c3)O)(S1)[S]=C(N(CCO)C)S2
• Title of publication: Interwoven coordination polymers sustained by tautomeric forms of the bridging ligand
• Authors of publication: Poplaukhin, Pavel; Tiekink, Edward R. T.
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 4
• Pages of publication: 1302
• a: 9.7471 ± 0.0014 Å
• b: 16.151 ± 0.002 Å
• c: 13.21 ± 0.002 Å
• α: 90°
• β: 94.743 ± 0.002°
• γ: 90°
• Cell volume: 2072.5 ± 0.5 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No