Information card for entry 7005023

Structure parameters

• Formula: C67 H67 Mn3 N21 O10 S2
• Calculated formula: C63 H55 Mn3 N21 O8
• 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: 25.393 ± 0.004 Å
• b: 9.3846 ± 0.0013 Å
• c: 28.321 ± 0.004 Å
• α: 90°
• β: 99.473 ± 0.003°
• γ: 90°
• Cell volume: 6656.9 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 0.85
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No