Information card for entry 2233257

Structure parameters

• Chemical name: <i>catena</i>-Poly[zinc-tris(μ-dimethylcarbamato-κ^2^<i>O</i>:<i>O</i>')- zinc-μ-(2-phenylbenzimidazolido-κ^2^<i>N</i>:<i>N</i>']
• Formula: C22 H27 N5 O6 Zn2
• Calculated formula: C22 H27 N5 O6 Zn2
• SMILES: [Zn]12[O]=C(N(C)C)O[Zn]([O]=C(O2)N(C)C)([O]=C(O1)N(C)C)[n]1c(c2ccccc2)[n](c2ccccc12)[Zn]12[O]=C(N(C)C)O[Zn]([O]=C(O2)N(C)C)([O]=C(O1)N(C)C)[n]1c(c2ccccc2)[n]c2ccccc12
• Title of publication: <i>catena</i>-Poly[zinc-tris(μ-dimethylcarbamato-κ^2^<i>O</i>:<i>O</i>')-zinc-μ-(2-phenylbenzimidazolido-κ^2^<i>N</i>:<i>N</i>']
• Authors of publication: Rodriguez, Mark A.; Sava, Dorina F.; Nenoff, Tina M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: m59 - m60
• a: 9.0521 ± 0.0013 Å
• b: 9.0521 ± 0.0013 Å
• c: 52.47 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3723.4 ± 1.1 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 2 K
• Number of distinct elements: 5
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.0586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes