Information card for entry 7005022

Structure parameters

• Formula: C52.75 H56.75 N16.25 O6.25 Zn2
• Calculated formula: C52 H56 N16 O6 Zn2
• SMILES: [Zn]1234[N](=C(c5[n]6[Zn]78([N](=C(c6ccc5)C)N=C(O7)c5ccccc5N)[N](=C(c5[n]2c(ccc5)C(C)=[N]3N=C(O4)c2ccccc2N)C)N=C(O8)c2ccccc2N)C)N=C(O1)c1ccccc1N.O=CN(C)C.O=CN(C)C
• Title of publication: Versatility of 2,6-diacetylpyridine (dap) hydrazones in generating varied molecular architectures: synthesis and structural characterization of a binuclear double helical Zn(II) complex and a Mn(II) coordination polymer.
• Authors of publication: Naskar, Subhendu; Corbella, Montserrat; Blake, Alexander J.; Chattopadhyay, Shyamal Kumar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 11
• Pages of publication: 1150 - 1159
• a: 13.368 ± 0.002 Å
• b: 14.379 ± 0.002 Å
• c: 15.938 ± 0.002 Å
• α: 65.408 ± 0.002°
• β: 74.714 ± 0.002°
• γ: 79.138 ± 0.002°
• Cell volume: 2676.3 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No