Information card for entry 2205242

Structure parameters

• Chemical name: Tris(biacetyl dihydrazone-κ^2^N,N')zinc(II) bis(perchlorate)
• Formula: C12 H30 Cl2 N12 O8 Zn
• Calculated formula: C12 H30 Cl2 N12 O8 Zn
• SMILES: C1(C(C)=[N]([Zn]23([N]=1N)([N](=C(C(C)=[N]3N)C)N)[N](=C(C(C)=[N]2N)C)N)N)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Tris(biacetyl dihydrazone-κ^2^<i>N,N</i>')zinc(II) bis(perchlorate) at 110K
• Authors of publication: Helena Elengoz; Rinat Shoshnik; Israel Goldberg
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: m538 - m540
• a: 9.4496 ± 0.0004 Å
• b: 9.4496 ± 0.0004 Å
• c: 15.3237 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1185.01 ± 0.08 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes